diff --git a/.buildinfo b/.buildinfo
index 926c8c978..51945a1cf 100644
--- a/.buildinfo
+++ b/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: ac9e52e0f6ce67401b12e91af06590f6
+config: 3e16fc85e4d09f60ba66e881fe15276a
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/_downloads/5fdddbed2260616231dbf7b0d94bb665/train.txt b/_downloads/5fdddbed2260616231dbf7b0d94bb665/train.txt
deleted file mode 100644
index d76cf4d7e..000000000
--- a/_downloads/5fdddbed2260616231dbf7b0d94bb665/train.txt
+++ /dev/null
@@ -1,231 +0,0 @@
-2024-05-17 19:37:19 (INFO): Project root: /home/runner/work/fairchem/fairchem/src/fairchem
-2024-05-17 19:37:20 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-2024-05-17 19:37:20 (INFO): amp: true
-cmd:
-  checkpoint_dir: fine-tuning/checkpoints/2024-05-17-19-37-36-ft-oxides
-  commit: 00de11a
-  identifier: ft-oxides
-  logs_dir: fine-tuning/logs/tensorboard/2024-05-17-19-37-36-ft-oxides
-  print_every: 10
-  results_dir: fine-tuning/results/2024-05-17-19-37-36-ft-oxides
-  seed: 0
-  timestamp_id: 2024-05-17-19-37-36-ft-oxides
-  version: 0.1.dev1+g00de11a
-dataset:
-  a2g_args:
-    r_energy: true
-    r_forces: true
-  format: ase_db
-  key_mapping:
-    force: forces
-    y: energy
-  src: train.db
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-  primary_metric: forces_mae
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 1
-    fn: l2mae
-model: gemnet_oc
-model_attributes:
-  activation: silu
-  atom_edge_interaction: true
-  atom_interaction: true
-  cbf:
-    name: spherical_harmonics
-  cutoff: 12.0
-  cutoff_aeaint: 12.0
-  cutoff_aint: 12.0
-  cutoff_qint: 12.0
-  direct_forces: true
-  edge_atom_interaction: true
-  emb_size_aint_in: 64
-  emb_size_aint_out: 64
-  emb_size_atom: 256
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_quad_in: 32
-  emb_size_quad_out: 32
-  emb_size_rbf: 16
-  emb_size_sbf: 32
-  emb_size_trip_in: 64
-  emb_size_trip_out: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  forces_coupled: false
-  max_neighbors: 30
-  max_neighbors_aeaint: 20
-  max_neighbors_aint: 1000
-  max_neighbors_qint: 8
-  num_after_skip: 2
-  num_atom: 3
-  num_atom_emb_layers: 2
-  num_before_skip: 2
-  num_blocks: 4
-  num_concat: 1
-  num_global_out_layers: 2
-  num_output_afteratom: 3
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: true
-  output_init: HeOrthogonal
-  qint_tags:
-  - 1
-  - 2
-  quad_interaction: true
-  rbf:
-    name: gaussian
-  regress_forces: true
-  sbf:
-    name: legendre_outer
-  symmetric_edge_symmetrization: false
-noddp: false
-optim:
-  batch_size: 4
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  energy_coefficient: 1
-  eval_batch_size: 16
-  eval_every: 10
-  factor: 0.8
-  force_coefficient: 1
-  load_balancing: atoms
-  loss_energy: mae
-  lr_initial: 0.0005
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-  weight_decay: 0
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: false
-slurm: {}
-task:
-  dataset: ase_db
-test_dataset:
-  a2g_args:
-    r_energy: false
-    r_forces: false
-  src: test.db
-trainer: ocp
-val_dataset:
-  a2g_args:
-    r_energy: true
-    r_forces: true
-  src: val.db
-
-2024-05-17 19:37:20 (INFO): Loading dataset: ase_db
-2024-05-17 19:37:20 (INFO): rank: 0: Sampler created...
-2024-05-17 19:37:20 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-17 19:37:20 (INFO): rank: 0: Sampler created...
-2024-05-17 19:37:20 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-17 19:37:20 (INFO): rank: 0: Sampler created...
-2024-05-17 19:37:20 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-17 19:37:20 (INFO): Loading model: gemnet_oc
-2024-05-17 19:37:20 (WARNING): Unrecognized arguments: ['symmetric_edge_symmetrization']
-2024-05-17 19:37:23 (INFO): Loaded GemNetOC with 38864438 parameters.
-2024-05-17 19:37:23 (WARNING): Model gradient logging to tensorboard not yet supported.
-2024-05-17 19:37:23 (WARNING): Using `weight_decay` from `optim` instead of `optim.optimizer_params`.Please update your config to use `optim.optimizer_params.weight_decay`.`optim.weight_decay` will soon be deprecated.
-2024-05-17 19:37:23 (INFO): Loading checkpoint from: /tmp/ocp_checkpoints/gnoc_oc22_oc20_all_s2ef.pt
-2024-05-17 19:37:23 (INFO): Overwriting scaling factors with those loaded from checkpoint. If you're generating predictions with a pretrained checkpoint, this is the correct behavior. To disable this, delete `scale_dict` from the checkpoint. 
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-2024-05-17 19:37:46 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 6.77e+00, forcesx_mae: 4.11e-02, forcesy_mae: 3.63e-02, forcesz_mae: 5.26e-02, forces_mae: 4.33e-02, forces_cosine_similarity: 8.24e-02, forces_magnitude_error: 7.42e-02, loss: 6.86e+00, lr: 5.00e-04, epoch: 1.69e-01, step: 1.00e+01
-2024-05-17 19:37:47 (INFO): Evaluating on val.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:04<00:04,  4.84s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.71s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.93s/it]
-2024-05-17 19:37:55 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 8.7333, forcesx_mae: 0.0231, forcesy_mae: 0.0188, forcesz_mae: 0.0198, forces_mae: 0.0206, forces_cosine_similarity: -0.0317, forces_magnitude_error: 0.0290, loss: 8.6590, epoch: 0.1695
-2024-05-17 19:37:55 (INFO): Predicting on test.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:03<00:03,  3.12s/it]
device 0: 100%|██████████| 2/2 [00:05<00:00,  2.83s/it]
device 0: 100%|██████████| 2/2 [00:05<00:00,  2.94s/it]
-2024-05-17 19:38:01 (INFO): Writing results to fine-tuning/results/2024-05-17-19-37-36-ft-oxides/ocp_predictions.npz
-2024-05-17 19:38:27 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.07e+01, forcesx_mae: 2.63e-02, forcesy_mae: 1.76e-02, forcesz_mae: 1.90e-02, forces_mae: 2.10e-02, forces_cosine_similarity: -3.68e-02, forces_magnitude_error: 2.26e-02, loss: 1.07e+01, lr: 5.00e-04, epoch: 3.39e-01, step: 2.00e+01
-2024-05-17 19:38:29 (INFO): Evaluating on val.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:04<00:04,  4.83s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.77s/it]
device 0: 100%|██████████| 2/2 [00:08<00:00,  4.01s/it]
-2024-05-17 19:38:37 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 2.6832, forcesx_mae: 0.0235, forcesy_mae: 0.0180, forcesz_mae: 0.0129, forces_mae: 0.0181, forces_cosine_similarity: 0.0673, forces_magnitude_error: 0.0215, loss: 2.7112, epoch: 0.3390
-2024-05-17 19:38:37 (INFO): Predicting on test.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:03<00:03,  3.20s/it]
device 0: 100%|██████████| 2/2 [00:06<00:00,  3.02s/it]
device 0: 100%|██████████| 2/2 [00:06<00:00,  3.14s/it]
-2024-05-17 19:38:44 (INFO): Writing results to fine-tuning/results/2024-05-17-19-37-36-ft-oxides/ocp_predictions.npz
-2024-05-17 19:39:03 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 4.87e+00, forcesx_mae: 1.83e-02, forcesy_mae: 1.52e-02, forcesz_mae: 2.07e-02, forces_mae: 1.80e-02, forces_cosine_similarity: -1.09e-02, forces_magnitude_error: 2.32e-02, loss: 4.90e+00, lr: 5.00e-04, epoch: 5.08e-01, step: 3.00e+01
-2024-05-17 19:39:05 (INFO): Evaluating on val.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:04<00:04,  4.37s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.51s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.73s/it]
-2024-05-17 19:39:13 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 4.3925, forcesx_mae: 0.0261, forcesy_mae: 0.0283, forcesz_mae: 0.0320, forces_mae: 0.0288, forces_cosine_similarity: -0.0229, forces_magnitude_error: 0.0401, loss: 4.4791, epoch: 0.5085
-2024-05-17 19:39:38 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 4.72e+00, forcesx_mae: 2.76e-02, forcesy_mae: 2.08e-02, forcesz_mae: 2.87e-02, forces_mae: 2.57e-02, forces_cosine_similarity: -8.50e-02, forces_magnitude_error: 3.28e-02, loss: 4.77e+00, lr: 5.00e-04, epoch: 6.78e-01, step: 4.00e+01
-2024-05-17 19:39:39 (INFO): Evaluating on val.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:04<00:04,  4.63s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.69s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.92s/it]
-2024-05-17 19:39:47 (INFO): energy_forces_within_threshold: 0.0333, energy_mae: 2.9368, forcesx_mae: 0.0158, forcesy_mae: 0.0158, forcesz_mae: 0.0118, forces_mae: 0.0145, forces_cosine_similarity: 0.0905, forces_magnitude_error: 0.0173, loss: 2.9395, epoch: 0.6780
-2024-05-17 19:39:48 (INFO): Predicting on test.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:03<00:03,  3.27s/it]
device 0: 100%|██████████| 2/2 [00:06<00:00,  3.04s/it]
device 0: 100%|██████████| 2/2 [00:06<00:00,  3.16s/it]
-2024-05-17 19:39:54 (INFO): Writing results to fine-tuning/results/2024-05-17-19-37-36-ft-oxides/ocp_predictions.npz
-2024-05-17 19:40:15 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 5.09e+00, forcesx_mae: 2.22e-02, forcesy_mae: 2.52e-02, forcesz_mae: 1.94e-02, forces_mae: 2.23e-02, forces_cosine_similarity: 6.04e-02, forces_magnitude_error: 3.10e-02, loss: 5.13e+00, lr: 5.00e-04, epoch: 8.47e-01, step: 5.00e+01
-2024-05-17 19:40:17 (INFO): Evaluating on val.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:04<00:04,  4.76s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.63s/it]
device 0: 100%|██████████| 2/2 [00:07<00:00,  3.89s/it]
-2024-05-17 19:40:25 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 4.4190, forcesx_mae: 0.0126, forcesy_mae: 0.0143, forcesz_mae: 0.0116, forces_mae: 0.0128, forces_cosine_similarity: 0.1245, forces_magnitude_error: 0.0162, loss: 4.4046, epoch: 0.8475
-2024-05-17 19:40:25 (INFO): Predicting on test.
-
device 0:   0%|          | 0/2 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  50%|█████     | 1/2 [00:03<00:03,  3.15s/it]
device 0: 100%|██████████| 2/2 [00:05<00:00,  2.88s/it]
device 0: 100%|██████████| 2/2 [00:06<00:00,  3.01s/it]
-2024-05-17 19:40:31 (INFO): Writing results to fine-tuning/results/2024-05-17-19-37-36-ft-oxides/ocp_predictions.npz
-2024-05-17 19:40:50 (INFO): Total time taken: 207.16632342338562
diff --git a/_downloads/819e10305ddd6839cd7da05935b17060/mass-inference.txt b/_downloads/819e10305ddd6839cd7da05935b17060/mass-inference.txt
deleted file mode 100644
index 5f427caa4..000000000
--- a/_downloads/819e10305ddd6839cd7da05935b17060/mass-inference.txt
+++ /dev/null
@@ -1,143 +0,0 @@
-2024-05-17 19:43:00 (INFO): Project root: /home/runner/work/fairchem/fairchem/src/fairchem
-2024-05-17 19:43:01 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-2024-05-17 19:43:01 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-44-00
-  commit: 00de11a
-  identifier: ''
-  logs_dir: ./logs/tensorboard/2024-05-17-19-44-00
-  print_every: 10
-  results_dir: ./results/2024-05-17-19-44-00
-  seed: 0
-  timestamp_id: 2024-05-17-19-44-00
-  version: 0.1.dev1+g00de11a
-dataset:
-  a2g_args:
-    r_energy: false
-    r_forces: false
-  format: ase_db
-  key_mapping:
-    force: forces
-    y: energy
-  select_args:
-    selection: natoms>5,xc=PBE
-  src: data.db
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-  primary_metric: forces_mae
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 1
-    fn: l2mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: true
-  emb_size_atom: 512
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 2
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 3
-  num_concat: 1
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: true
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: true
-noddp: false
-optim:
-  batch_size: 16
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  energy_coefficient: 1
-  eval_batch_size: 16
-  eval_every: 5000
-  force_coefficient: 1
-  loss_energy: mae
-  loss_force: atomwisel2
-  lr_gamma: 0.8
-  lr_initial: 0.0005
-  lr_milestones:
-  - 64000
-  - 96000
-  - 128000
-  - 160000
-  - 192000
-  max_epochs: 80
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  warmup_steps: -1
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: false
-slurm: {}
-task:
-  dataset: ase_db
-  prediction_dtype: float32
-test_dataset:
-  a2g_args:
-    r_energy: false
-    r_forces: false
-  select_args:
-    selection: natoms>5,xc=PBE
-  src: data.db
-trainer: ocp
-val_dataset: null
-
-2024-05-17 19:43:01 (INFO): Loading dataset: ase_db
-2024-05-17 19:43:01 (INFO): rank: 0: Sampler created...
-2024-05-17 19:43:01 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-17 19:43:01 (INFO): rank: 0: Sampler created...
-2024-05-17 19:43:01 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-17 19:43:01 (INFO): Loading model: gemnet_t
-2024-05-17 19:43:03 (INFO): Loaded GemNetT with 31671825 parameters.
-2024-05-17 19:43:03 (WARNING): Model gradient logging to tensorboard not yet supported.
-2024-05-17 19:43:04 (INFO): Loading checkpoint from: /tmp/ocp_checkpoints/gndt_oc22_all_s2ef.pt
-2024-05-17 19:43:04 (INFO): Overwriting scaling factors with those loaded from checkpoint. If you're generating predictions with a pretrained checkpoint, this is the correct behavior. To disable this, delete `scale_dict` from the checkpoint. 
-2024-05-17 19:43:04 (WARNING): Scale factor comment not found in model
-2024-05-17 19:43:04 (INFO): Predicting on test.
-
device 0:   0%|                                           | 0/3 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-
device 0:  33%|███████████▋                       | 1/3 [00:02<00:05,  2.85s/it]
device 0:  67%|███████████████████████▎           | 2/3 [00:05<00:02,  2.69s/it]
device 0: 100%|███████████████████████████████████| 3/3 [00:06<00:00,  1.98s/it]
device 0: 100%|███████████████████████████████████| 3/3 [00:06<00:00,  2.19s/it]
-2024-05-17 19:43:10 (INFO): Writing results to ./results/2024-05-17-19-44-00/ocp_predictions.npz
-2024-05-17 19:43:10 (INFO): Total time taken: 6.720050811767578
-Elapsed time = 13.1 seconds
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diff --git a/_sources/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.rst b/_sources/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.rst
index 55db5ed3a..b9391ea17 100644
--- a/_sources/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.rst
+++ b/_sources/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`adsorbml.2023_neurips_challenge.challenge_eval`
-========================================================
+adsorbml.2023_neurips_challenge.challenge_eval
+==============================================
 
 .. py:module:: adsorbml.2023_neurips_challenge.challenge_eval
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -21,6 +17,8 @@ Functions
    adsorbml.2023_neurips_challenge.challenge_eval.main
 
 
+Module Contents
+---------------
 
 .. py:function:: is_successful(best_pred_energy, best_dft_energy, SUCCESS_THRESHOLD=0.1)
 
@@ -72,7 +70,6 @@ Functions
 
 .. py:function:: parse_args()
 
-
 .. py:function:: main()
 
    This script takes in your prediction file (npz format)
diff --git a/_sources/autoapi/adsorbml/scripts/dense_eval/index.rst b/_sources/autoapi/adsorbml/scripts/dense_eval/index.rst
index 4174cf9df..b76126c54 100644
--- a/_sources/autoapi/adsorbml/scripts/dense_eval/index.rst
+++ b/_sources/autoapi/adsorbml/scripts/dense_eval/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`adsorbml.scripts.dense_eval`
-=====================================
+adsorbml.scripts.dense_eval
+===========================
 
 .. py:module:: adsorbml.scripts.dense_eval
 
@@ -74,12 +74,17 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD
+   adsorbml.scripts.dense_eval.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -91,20 +96,12 @@ Functions
    adsorbml.scripts.dense_eval.filter_ml_data
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD
-   adsorbml.scripts.dense_eval.parser
-
+Module Contents
+---------------
 
 .. py:data:: SUCCESS_THRESHOLD
    :value: 0.1
 
-   
 
 .. py:function:: is_successful(best_ml_dft_energy, best_dft_energy)
 
@@ -173,5 +170,3 @@ Attributes
 
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/adsorbml/scripts/process_mlrs/index.rst b/_sources/autoapi/adsorbml/scripts/process_mlrs/index.rst
index a7c5ea21e..a78922da6 100644
--- a/_sources/autoapi/adsorbml/scripts/process_mlrs/index.rst
+++ b/_sources/autoapi/adsorbml/scripts/process_mlrs/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`adsorbml.scripts.process_mlrs`
-=======================================
+adsorbml.scripts.process_mlrs
+=============================
 
 .. py:module:: adsorbml.scripts.process_mlrs
 
@@ -22,12 +22,18 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER
+   adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER
+   adsorbml.scripts.process_mlrs.args
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -36,37 +42,22 @@ Functions
    adsorbml.scripts.process_mlrs.process_mlrs
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER
-   adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER
-   adsorbml.scripts.process_mlrs.args
-
+Module Contents
+---------------
 
 .. py:data:: SURFACE_CHANGE_CUTOFF_MULTIPLIER
    :value: 1.5
 
-   
 
 .. py:data:: DESORPTION_CUTOFF_MULTIPLIER
    :value: 1.5
 
-   
 
 .. py:function:: parse_args()
 
-
 .. py:function:: min_diff(atoms_init, atoms_final)
 
-
 .. py:function:: process_mlrs(arg)
 
-
 .. py:data:: args
 
-   
-
diff --git a/_sources/autoapi/adsorbml/scripts/utils/index.rst b/_sources/autoapi/adsorbml/scripts/utils/index.rst
index d45fea636..2b78fa37f 100644
--- a/_sources/autoapi/adsorbml/scripts/utils/index.rst
+++ b/_sources/autoapi/adsorbml/scripts/utils/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`adsorbml.scripts.utils`
-================================
+adsorbml.scripts.utils
+======================
 
 .. py:module:: adsorbml.scripts.utils
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,6 +13,8 @@ Functions
    adsorbml.scripts.utils.count_scf
 
 
+Module Contents
+---------------
 
 .. py:function:: converged_oszicar(path, nelm=60, ediff=0.0001, idx=0)
 
diff --git a/_sources/autoapi/adsorbml/scripts/write_top_k_vasp/index.rst b/_sources/autoapi/adsorbml/scripts/write_top_k_vasp/index.rst
index 2b5f87f0d..6a74cf0ba 100644
--- a/_sources/autoapi/adsorbml/scripts/write_top_k_vasp/index.rst
+++ b/_sources/autoapi/adsorbml/scripts/write_top_k_vasp/index.rst
@@ -1,17 +1,22 @@
-:py:mod:`adsorbml.scripts.write_top_k_vasp`
-===========================================
+adsorbml.scripts.write_top_k_vasp
+=================================
 
 .. py:module:: adsorbml.scripts.write_top_k_vasp
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   adsorbml.scripts.write_top_k_vasp.VASP_FLAGS
+   adsorbml.scripts.write_top_k_vasp.parser
+
+
 Module Contents
 ---------------
 
 .. py:data:: VASP_FLAGS
 
-   
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/cattsunami/core/autoframe/index.rst b/_sources/autoapi/cattsunami/core/autoframe/index.rst
index 1d34e0e1f..f57e5666a 100644
--- a/_sources/autoapi/cattsunami/core/autoframe/index.rst
+++ b/_sources/autoapi/cattsunami/core/autoframe/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`cattsunami.core.autoframe`
-===================================
+cattsunami.core.autoframe
+=========================
 
 .. py:module:: cattsunami.core.autoframe
 
@@ -10,11 +10,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,9 +21,8 @@ Classes
    cattsunami.core.autoframe.AutoFrameDesorption
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -44,12 +40,14 @@ Functions
    cattsunami.core.autoframe.is_adsorbate_adsorbed
 
 
+Module Contents
+---------------
 
 .. py:class:: AutoFrame
 
-
    Base class to hold functions that are shared across the reaction types.
 
+
    .. py:method:: reorder_adsorbate(frame: ase.Atoms, idx_mapping: dict)
 
       Given the adsorbate mapping, reorder the adsorbate atoms in the final frame so that
@@ -64,6 +62,7 @@ Functions
       :rtype: ase.Atoms
 
 
+
    .. py:method:: only_keep_unique_systems(systems, energies)
 
       Remove duplicate systems from `systems` and `energies`.
@@ -78,6 +77,7 @@ Functions
       :rtype: list[ase.Atoms]
 
 
+
    .. py:method:: get_most_proximate_symmetric_group(initial: ase.Atoms, frame: ase.Atoms)
 
       For cases where the adsorbate has symmetry and the leaving group could be different
@@ -95,6 +95,7 @@ Functions
       :rtype: dict
 
 
+
    .. py:method:: are_all_adsorbate_atoms_overlapping(adsorbate1: ase.Atoms, adsorbate2: ase.Atoms)
 
       Test to see if all the adsorbate atoms are intersecting to find unique structures.
@@ -117,11 +118,12 @@ Functions
 
 .. py:class:: AutoFrameDissociation(reaction: fairchem.applications.cattsunami.core.Reaction, reactant_system: ase.Atoms, product1_systems: list, product1_energies: list, product2_systems: list, product2_energies: list, r_product1_max: float = None, r_product2_max: float = None, r_product2_min: float = None)
 
-
    Bases: :py:obj:`AutoFrame`
 
+
    Base class to hold functions that are shared across the reaction types.
 
+
    .. py:method:: get_neb_frames(calculator, n_frames: int = 5, n_pdt1_sites: int = 5, n_pdt2_sites: int = 5, fmax: float = 0.05, steps: int = 200)
 
       Propose final frames for NEB calculations. Perform a relaxation on the final
@@ -147,6 +149,7 @@ Functions
       :rtype: list[lists]
 
 
+
    .. py:method:: get_best_sites_for_product1(n_sites: int = 5)
 
       Wrapper to find product 1 placements to be considered for the final frame
@@ -164,6 +167,7 @@ Functions
       :rtype: (list[ase.Atoms])
 
 
+
    .. py:method:: get_best_unique_sites_for_product2(product1: ase.Atoms, n_sites: int = 5)
 
       Wrapper to find product 2 placements to be considered for the final frame
@@ -185,6 +189,7 @@ Functions
       :rtype: (list[ase.Atoms])
 
 
+
    .. py:method:: get_sites_within_r(center_coordinate: numpy.ndarray, all_systems: list, all_system_energies: list, all_systems_binding_idx: int, allowed_radius_max: float, allowed_radius_min: float, n_sites: int = 5)
 
       Get the n lowest energy, sites of the systems within r. For now n is
@@ -215,11 +220,12 @@ Functions
 
 .. py:class:: AutoFrameTransfer(reaction: fairchem.applications.cattsunami.core.Reaction, reactant1_systems: list, reactant2_systems: list, reactant1_energies: list, reactant2_energies: list, product1_systems: list, product1_energies: list, product2_systems: list, product2_energies: list, r_traverse_max: float, r_react_max: float, r_react_min: float)
 
-
    Bases: :py:obj:`AutoFrame`
 
+
    Base class to hold functions that are shared across the reaction types.
 
+
    .. py:method:: get_neb_frames(calculator, n_frames: int = 10, n_initial_frames: int = 5, n_final_frames_per_initial: int = 5, fmax: float = 0.05, steps: int = 200)
 
       Propose final frames for NEB calculations. Perform a relaxation on the final
@@ -244,6 +250,7 @@ Functions
       :rtype: list[lists]
 
 
+
    .. py:method:: get_system_pairs_initial()
 
       Get the initial frames for the NEB. This is done by finding the closest
@@ -256,6 +263,7 @@ Functions
       :rtype: list[ase.Atoms]
 
 
+
    .. py:method:: get_system_pairs_final(system1_coord, system2_coord)
 
       Get the final frames for the NEB. This is done by finding the closest
@@ -272,11 +280,12 @@ Functions
 
 .. py:class:: AutoFrameDesorption(reaction: fairchem.applications.cattsunami.core.Reaction, reactant_systems: list, reactant_energies: list, z_desorption: float)
 
-
    Bases: :py:obj:`AutoFrame`
 
+
    Base class to hold functions that are shared across the reaction types.
 
+
    .. py:method:: get_neb_frames(calculator, n_frames: int = 5, n_systems: int = 5, fmax: float = 0.05, steps: int = 200)
 
       Propose final frames for NEB calculations. Perform a relaxation on the final
diff --git a/_sources/autoapi/cattsunami/core/index.rst b/_sources/autoapi/cattsunami/core/index.rst
index 8adb179fa..0e343ecb7 100644
--- a/_sources/autoapi/cattsunami/core/index.rst
+++ b/_sources/autoapi/cattsunami/core/index.rst
@@ -1,25 +1,22 @@
-:py:mod:`cattsunami.core`
-=========================
+cattsunami.core
+===============
 
 .. py:module:: cattsunami.core
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   autoframe/index.rst
-   ocpneb/index.rst
-   reaction/index.rst
-
+   /autoapi/cattsunami/core/autoframe/index
+   /autoapi/cattsunami/core/ocpneb/index
+   /autoapi/cattsunami/core/reaction/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,13 +24,14 @@ Classes
    cattsunami.core.OCPNEB
 
 
-
+Package Contents
+----------------
 
 .. py:class:: Reaction(reaction_db_path: str, adsorbate_db_path: str, reaction_id_from_db: int = None, reaction_str_from_db: str = None, reaction_type: str = None)
 
-
    Initialize Reaction object
 
+
    .. py:method:: get_desorption_mapping(reactant)
 
       Get mapping for desorption reaction
@@ -42,9 +40,9 @@ Classes
 
 .. py:class:: OCPNEB(images, checkpoint_path, k=0.1, fmax=0.05, climb=False, parallel=False, remove_rotation_and_translation=False, world=None, dynamic_relaxation=True, scale_fmax=0.0, method='aseneb', allow_shared_calculator=False, precon=None, cpu=False, batch_size=4)
 
-
    Bases: :py:obj:`ase.neb.DyNEB`
 
+
    .. py:method:: load_checkpoint(checkpoint_path: str) -> None
 
       Load existing trained model
@@ -53,15 +51,16 @@ Classes
                               Path to trained model
 
 
+
    .. py:method:: get_forces()
 
       Evaluate and return the forces.
 
 
+
    .. py:method:: set_positions(positions)
 
 
    .. py:method:: get_precon_forces(forces, energies, images)
 
 
-
diff --git a/_sources/autoapi/cattsunami/core/ocpneb/index.rst b/_sources/autoapi/cattsunami/core/ocpneb/index.rst
index beb1989a0..f75e61786 100644
--- a/_sources/autoapi/cattsunami/core/ocpneb/index.rst
+++ b/_sources/autoapi/cattsunami/core/ocpneb/index.rst
@@ -1,27 +1,25 @@
-:py:mod:`cattsunami.core.ocpneb`
-================================
+cattsunami.core.ocpneb
+======================
 
 .. py:module:: cattsunami.core.ocpneb
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    cattsunami.core.ocpneb.OCPNEB
 
 
-
+Module Contents
+---------------
 
 .. py:class:: OCPNEB(images, checkpoint_path, k=0.1, fmax=0.05, climb=False, parallel=False, remove_rotation_and_translation=False, world=None, dynamic_relaxation=True, scale_fmax=0.0, method='aseneb', allow_shared_calculator=False, precon=None, cpu=False, batch_size=4)
 
-
    Bases: :py:obj:`ase.neb.DyNEB`
 
+
    .. py:method:: load_checkpoint(checkpoint_path: str) -> None
 
       Load existing trained model
@@ -30,15 +28,16 @@ Classes
                               Path to trained model
 
 
+
    .. py:method:: get_forces()
 
       Evaluate and return the forces.
 
 
+
    .. py:method:: set_positions(positions)
 
 
    .. py:method:: get_precon_forces(forces, energies, images)
 
 
-
diff --git a/_sources/autoapi/cattsunami/core/reaction/index.rst b/_sources/autoapi/cattsunami/core/reaction/index.rst
index be2473274..d64b023d5 100644
--- a/_sources/autoapi/cattsunami/core/reaction/index.rst
+++ b/_sources/autoapi/cattsunami/core/reaction/index.rst
@@ -1,27 +1,25 @@
-:py:mod:`cattsunami.core.reaction`
-==================================
+cattsunami.core.reaction
+========================
 
 .. py:module:: cattsunami.core.reaction
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    cattsunami.core.reaction.Reaction
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Reaction(reaction_db_path: str, adsorbate_db_path: str, reaction_id_from_db: int = None, reaction_str_from_db: str = None, reaction_type: str = None)
 
-
    Initialize Reaction object
 
+
    .. py:method:: get_desorption_mapping(reactant)
 
       Get mapping for desorption reaction
diff --git a/_sources/autoapi/cattsunami/databases/index.rst b/_sources/autoapi/cattsunami/databases/index.rst
index 6c3df3aa6..010452189 100644
--- a/_sources/autoapi/cattsunami/databases/index.rst
+++ b/_sources/autoapi/cattsunami/databases/index.rst
@@ -1,21 +1,25 @@
-:py:mod:`cattsunami.databases`
-==============================
+cattsunami.databases
+====================
 
 .. py:module:: cattsunami.databases
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   cattsunami.databases.DISSOCIATION_REACTION_DB_PATH
+   cattsunami.databases.DESORPTION_REACTION_DB_PATH
+   cattsunami.databases.TRANSFER_REACTION_DB_PATH
+
+
 Package Contents
 ----------------
 
 .. py:data:: DISSOCIATION_REACTION_DB_PATH
 
-   
-
 .. py:data:: DESORPTION_REACTION_DB_PATH
 
-   
-
 .. py:data:: TRANSFER_REACTION_DB_PATH
 
-   
-
diff --git a/_sources/autoapi/cattsunami/index.rst b/_sources/autoapi/cattsunami/index.rst
index c7036064b..85aa4c497 100644
--- a/_sources/autoapi/cattsunami/index.rst
+++ b/_sources/autoapi/cattsunami/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`cattsunami`
-====================
+cattsunami
+==========
 
 .. py:module:: cattsunami
 
@@ -14,12 +14,20 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
+
+   /autoapi/cattsunami/core/index
+   /autoapi/cattsunami/databases/index
+
 
-   core/index.rst
-   databases/index.rst
+Attributes
+----------
+
+.. autoapisummary::
+
+   cattsunami.__version__
 
 
 Package Contents
@@ -27,5 +35,3 @@ Package Contents
 
 .. py:data:: __version__
 
-   
-
diff --git a/_sources/autoapi/cattsunami/run_validation/run_validation/index.rst b/_sources/autoapi/cattsunami/run_validation/run_validation/index.rst
index 67a6566c3..d5b934d78 100644
--- a/_sources/autoapi/cattsunami/run_validation/run_validation/index.rst
+++ b/_sources/autoapi/cattsunami/run_validation/run_validation/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`cattsunami.run_validation.run_validation`
-==================================================
+cattsunami.run_validation.run_validation
+========================================
 
 .. py:module:: cattsunami.run_validation.run_validation
 
@@ -10,12 +10,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   cattsunami.run_validation.run_validation.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -30,14 +34,8 @@ Functions
    cattsunami.run_validation.run_validation.get_single_point
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   cattsunami.run_validation.run_validation.parser
-
+Module Contents
+---------------
 
 .. py:function:: get_results_sp(df2: pandas.DataFrame)
 
@@ -161,5 +159,3 @@ Attributes
 
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/_cli/index.rst b/_sources/autoapi/core/_cli/index.rst
index 7924b1522..a050e042f 100644
--- a/_sources/autoapi/core/_cli/index.rst
+++ b/_sources/autoapi/core/_cli/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core._cli`
-===================
+core._cli
+=========
 
 .. py:module:: core._cli
 
@@ -12,32 +12,31 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core._cli.Runner
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
+   core._cli.runner_wrapper
    core._cli.main
 
 
+Module Contents
+---------------
 
 .. py:class:: Runner(distributed: bool = False)
 
-
    Bases: :py:obj:`submitit.helpers.Checkpointable`
 
+
    Derived callable classes are requeued after timeout with their current
    state dumped at checkpoint.
 
@@ -50,6 +49,7 @@ Functions
       curate the state (dump a neural network to a standard format and remove it from
       the state so that not to pickle it) and change/remove the initial parameters.
 
+
    .. py:method:: __call__(config: dict) -> None
 
 
@@ -59,6 +59,8 @@ Functions
 
 
 
+.. py:function:: runner_wrapper(distributed: bool, config: dict)
+
 .. py:function:: main()
 
    Run the main fairchem program.
diff --git a/_sources/autoapi/core/common/data_parallel/index.rst b/_sources/autoapi/core/common/data_parallel/index.rst
index d0d2b201f..ed87b0b18 100644
--- a/_sources/autoapi/core/common/data_parallel/index.rst
+++ b/_sources/autoapi/core/common/data_parallel/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.data_parallel`
-===================================
+core.common.data_parallel
+=========================
 
 .. py:module:: core.common.data_parallel
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,23 +23,22 @@ Classes
    core.common.data_parallel.BalancedBatchSampler
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.common.data_parallel.balanced_partition
 
 
+Module Contents
+---------------
 
 .. py:class:: OCPCollater(otf_graph: bool = False)
 
-
    .. py:method:: __call__(data_list: list[torch_geometric.data.Data]) -> torch_geometric.data.Batch
 
 
-
 .. py:function:: balanced_partition(sizes: numpy.typing.NDArray[numpy.int_], num_parts: int)
 
    Greedily partition the given set by always inserting
@@ -51,9 +47,9 @@ Functions
 
 .. py:class:: _HasMetadata
 
-
    Bases: :py:obj:`Protocol`
 
+
    Base class for protocol classes.
 
    Protocol classes are defined as::
@@ -85,6 +81,7 @@ Functions
            def meth(self) -> T:
                ...
 
+
    .. py:property:: metadata_path
       :type: pathlib.Path
 
@@ -92,27 +89,27 @@ Functions
 
 .. py:class:: StatefulDistributedSampler(dataset, batch_size, **kwargs)
 
-
    Bases: :py:obj:`torch.utils.data.DistributedSampler`
 
+
    More fine-grained state DataSampler that uses training iteration and epoch
    both for shuffling data. PyTorch DistributedSampler only uses epoch
    for the shuffling and starts sampling data from the start. In case of training
    on very large data, we train for one epoch only and when we resume training,
    we want to resume the data sampler from the training iteration.
 
+
    .. py:method:: __iter__()
 
 
    .. py:method:: set_epoch_and_start_iteration(epoch, start_iter)
 
 
-
-.. py:class:: BalancedBatchSampler(dataset, batch_size: int, num_replicas: int, rank: int, device: torch.device, mode: str | bool = 'atoms', shuffle: bool = True, drop_last: bool = False, force_balancing: bool = False, throw_on_error: bool = False)
-
+.. py:class:: BalancedBatchSampler(dataset, batch_size: int, num_replicas: int, rank: int, device: torch.device, seed: int, mode: str | bool = 'atoms', shuffle: bool = True, drop_last: bool = False, force_balancing: bool = False, throw_on_error: bool = False)
 
    Bases: :py:obj:`torch.utils.data.Sampler`
 
+
    Base class for all Samplers.
 
    Every Sampler subclass has to provide an :meth:`__iter__` method, providing a
@@ -154,7 +151,8 @@ Functions
              :class:`~torch.utils.data.DataLoader`, but is expected in any
              calculation involving the length of a :class:`~torch.utils.data.DataLoader`.
 
-   .. py:method:: _load_dataset(dataset, mode: Literal[atoms, neighbors])
+
+   .. py:method:: _load_dataset(dataset, mode: Literal['atoms', 'neighbors'])
 
 
    .. py:method:: __len__() -> int
@@ -166,4 +164,3 @@ Functions
    .. py:method:: __iter__()
 
 
-
diff --git a/_sources/autoapi/core/common/distutils/index.rst b/_sources/autoapi/core/common/distutils/index.rst
index 271f2e842..5ba6f81f7 100644
--- a/_sources/autoapi/core/common/distutils/index.rst
+++ b/_sources/autoapi/core/common/distutils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.distutils`
-===============================
+core.common.distutils
+=====================
 
 .. py:module:: core.common.distutils
 
@@ -12,12 +12,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.common.distutils.T
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -35,52 +39,33 @@ Functions
    core.common.distutils.gather_objects
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.common.distutils.T
-
+Module Contents
+---------------
 
 .. py:data:: T
 
-   
-
 .. py:function:: os_environ_get_or_throw(x: str) -> str
 
-
 .. py:function:: setup(config) -> None
 
-
 .. py:function:: cleanup() -> None
 
-
 .. py:function:: initialized() -> bool
 
-
 .. py:function:: get_rank() -> int
 
-
 .. py:function:: get_world_size() -> int
 
-
 .. py:function:: is_master() -> bool
 
-
 .. py:function:: synchronize() -> None
 
-
 .. py:function:: broadcast(tensor: torch.Tensor, src, group=dist.group.WORLD, async_op: bool = False) -> None
 
-
 .. py:function:: all_reduce(data, group=dist.group.WORLD, average: bool = False, device=None) -> torch.Tensor
 
-
 .. py:function:: all_gather(data, group=dist.group.WORLD, device=None) -> list[torch.Tensor]
 
-
 .. py:function:: gather_objects(data: T, group: torch.distributed.ProcessGroup = dist.group.WORLD) -> list[T]
 
    Gather a list of pickleable objects into rank 0
diff --git a/_sources/autoapi/core/common/flags/index.rst b/_sources/autoapi/core/common/flags/index.rst
index b0c123919..f7f523998 100644
--- a/_sources/autoapi/core/common/flags/index.rst
+++ b/_sources/autoapi/core/common/flags/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.flags`
-===========================
+core.common.flags
+=================
 
 .. py:module:: core.common.flags
 
@@ -12,29 +12,26 @@
 
 
 
-Module Contents
----------------
-
-Classes
-~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.common.flags.Flags
-
-
+   core.common.flags.flags
 
 
-Attributes
-~~~~~~~~~~
+Classes
+-------
 
 .. autoapisummary::
 
-   core.common.flags.flags
+   core.common.flags.Flags
 
 
-.. py:class:: Flags
+Module Contents
+---------------
 
+.. py:class:: Flags
 
    .. py:method:: get_parser() -> argparse.ArgumentParser
 
@@ -42,8 +39,5 @@ Attributes
    .. py:method:: add_core_args() -> None
 
 
-
 .. py:data:: flags
 
-   
-
diff --git a/_sources/autoapi/core/common/gp_utils/index.rst b/_sources/autoapi/core/common/gp_utils/index.rst
index 342636b59..6a353ddf1 100644
--- a/_sources/autoapi/core/common/gp_utils/index.rst
+++ b/_sources/autoapi/core/common/gp_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.gp_utils`
-==============================
+core.common.gp_utils
+====================
 
 .. py:module:: core.common.gp_utils
 
@@ -12,11 +12,17 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.common.gp_utils._GRAPH_PARALLEL_GROUP
+   core.common.gp_utils._DATA_PARALLEL_GROUP
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,9 +32,8 @@ Classes
    core.common.gp_utils.GatherFromModelParallelRegion
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -56,83 +61,58 @@ Functions
    core.common.gp_utils.gather_from_model_parallel_region
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.common.gp_utils._GRAPH_PARALLEL_GROUP
-   core.common.gp_utils._DATA_PARALLEL_GROUP
-
+Module Contents
+---------------
 
 .. py:data:: _GRAPH_PARALLEL_GROUP
+   :value: None
 
-   
 
 .. py:data:: _DATA_PARALLEL_GROUP
+   :value: None
 
-   
 
 .. py:function:: ensure_div(a: int, b: int) -> None
 
-
 .. py:function:: divide_and_check_no_remainder(a: int, b: int) -> int
 
-
 .. py:function:: setup_gp(config) -> None
 
-
 .. py:function:: cleanup_gp() -> None
 
-
 .. py:function:: initialized() -> bool
 
-
 .. py:function:: get_dp_group()
 
-
 .. py:function:: get_gp_group()
 
-
 .. py:function:: get_dp_rank() -> int
 
-
 .. py:function:: get_gp_rank() -> int
 
-
 .. py:function:: get_dp_world_size() -> int
 
-
 .. py:function:: get_gp_world_size() -> int
 
-
 .. py:function:: pad_tensor(tensor: torch.Tensor, dim: int = -1, target_size: int | None = None) -> torch.Tensor
 
-
 .. py:function:: trim_tensor(tensor: torch.Tensor, sizes: torch.Tensor | None = None, dim: int = 0)
 
-
 .. py:function:: _split_tensor(tensor: torch.Tensor, num_parts: int, dim: int = -1, contiguous_chunks: bool = False)
 
-
 .. py:function:: _reduce(ctx: Any, input: torch.Tensor) -> torch.Tensor
 
-
 .. py:function:: _split(input: torch.Tensor, dim: int = -1) -> torch.Tensor
 
-
 .. py:function:: _gather(input: torch.Tensor, dim: int = -1) -> torch.Tensor
 
-
 .. py:function:: _gather_with_padding(input: torch.Tensor, dim: int = -1) -> torch.Tensor
 
-
 .. py:class:: CopyToModelParallelRegion(*args, **kwargs)
 
-
    Bases: :py:obj:`torch.autograd.Function`
 
+
    Base class to create custom `autograd.Function`.
 
    To create a custom `autograd.Function`, subclass this class and implement
@@ -165,9 +145,11 @@ Attributes
        >>> # xdoctest: +SKIP
        >>> output = Exp.apply(input)
 
+
    .. py:method:: forward(ctx, input: torch.Tensor) -> torch.Tensor
       :staticmethod:
 
+
       Define the forward of the custom autograd Function.
 
       This function is to be overridden by all subclasses.
@@ -209,9 +191,11 @@ Attributes
       if they are intended to be used for in ``jvp``.
 
 
+
    .. py:method:: backward(ctx, grad_output: torch.Tensor) -> torch.Tensor
       :staticmethod:
 
+
       Define a formula for differentiating the operation with backward mode automatic differentiation.
 
       This function is to be overridden by all subclasses.
@@ -237,9 +221,9 @@ Attributes
 
 .. py:class:: ReduceFromModelParallelRegion(*args, **kwargs)
 
-
    Bases: :py:obj:`torch.autograd.Function`
 
+
    Base class to create custom `autograd.Function`.
 
    To create a custom `autograd.Function`, subclass this class and implement
@@ -272,9 +256,11 @@ Attributes
        >>> # xdoctest: +SKIP
        >>> output = Exp.apply(input)
 
+
    .. py:method:: forward(ctx, input: torch.Tensor) -> torch.Tensor
       :staticmethod:
 
+
       Define the forward of the custom autograd Function.
 
       This function is to be overridden by all subclasses.
@@ -316,9 +302,11 @@ Attributes
       if they are intended to be used for in ``jvp``.
 
 
+
    .. py:method:: backward(ctx, grad_output: torch.Tensor) -> torch.Tensor
       :staticmethod:
 
+
       Define a formula for differentiating the operation with backward mode automatic differentiation.
 
       This function is to be overridden by all subclasses.
@@ -344,9 +332,9 @@ Attributes
 
 .. py:class:: ScatterToModelParallelRegion(*args, **kwargs)
 
-
    Bases: :py:obj:`torch.autograd.Function`
 
+
    Base class to create custom `autograd.Function`.
 
    To create a custom `autograd.Function`, subclass this class and implement
@@ -379,9 +367,11 @@ Attributes
        >>> # xdoctest: +SKIP
        >>> output = Exp.apply(input)
 
+
    .. py:method:: forward(ctx, input: torch.Tensor, dim: int = -1) -> torch.Tensor
       :staticmethod:
 
+
       Define the forward of the custom autograd Function.
 
       This function is to be overridden by all subclasses.
@@ -423,9 +413,11 @@ Attributes
       if they are intended to be used for in ``jvp``.
 
 
+
    .. py:method:: backward(ctx, grad_output: torch.Tensor)
       :staticmethod:
 
+
       Define a formula for differentiating the operation with backward mode automatic differentiation.
 
       This function is to be overridden by all subclasses.
@@ -451,9 +443,9 @@ Attributes
 
 .. py:class:: GatherFromModelParallelRegion(*args, **kwargs)
 
-
    Bases: :py:obj:`torch.autograd.Function`
 
+
    Base class to create custom `autograd.Function`.
 
    To create a custom `autograd.Function`, subclass this class and implement
@@ -486,9 +478,11 @@ Attributes
        >>> # xdoctest: +SKIP
        >>> output = Exp.apply(input)
 
+
    .. py:method:: forward(ctx, input: torch.Tensor, dim: int = -1) -> torch.Tensor
       :staticmethod:
 
+
       Define the forward of the custom autograd Function.
 
       This function is to be overridden by all subclasses.
@@ -530,9 +524,11 @@ Attributes
       if they are intended to be used for in ``jvp``.
 
 
+
    .. py:method:: backward(ctx, grad_output: torch.Tensor)
       :staticmethod:
 
+
       Define a formula for differentiating the operation with backward mode automatic differentiation.
 
       This function is to be overridden by all subclasses.
@@ -558,13 +554,9 @@ Attributes
 
 .. py:function:: copy_to_model_parallel_region(input: torch.Tensor) -> torch.Tensor
 
-
 .. py:function:: reduce_from_model_parallel_region(input: torch.Tensor) -> torch.Tensor
 
-
 .. py:function:: scatter_to_model_parallel_region(input: torch.Tensor, dim: int = -1) -> torch.Tensor
 
-
 .. py:function:: gather_from_model_parallel_region(input: torch.Tensor, dim: int = -1) -> torch.Tensor
 
-
diff --git a/_sources/autoapi/core/common/hpo_utils/index.rst b/_sources/autoapi/core/common/hpo_utils/index.rst
index 50b5178b7..ac0fddbc1 100644
--- a/_sources/autoapi/core/common/hpo_utils/index.rst
+++ b/_sources/autoapi/core/common/hpo_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.hpo_utils`
-===============================
+core.common.hpo_utils
+=====================
 
 .. py:module:: core.common.hpo_utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,6 +21,8 @@ Functions
    core.common.hpo_utils.label_metric_dict
 
 
+Module Contents
+---------------
 
 .. py:function:: tune_reporter(iters, train_metrics, val_metrics, test_metrics=None, metric_to_opt: str = 'val_loss', min_max: str = 'min') -> None
 
@@ -46,4 +44,3 @@ Functions
 
 .. py:function:: label_metric_dict(metric_dict, split)
 
-
diff --git a/_sources/autoapi/core/common/index.rst b/_sources/autoapi/core/common/index.rst
index 412aa24f0..28e8063b5 100644
--- a/_sources/autoapi/core/common/index.rst
+++ b/_sources/autoapi/core/common/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common`
-=====================
+core.common
+===========
 
 .. py:module:: core.common
 
@@ -14,29 +14,29 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   relaxation/index.rst
+   /autoapi/core/common/relaxation/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   data_parallel/index.rst
-   distutils/index.rst
-   flags/index.rst
-   gp_utils/index.rst
-   hpo_utils/index.rst
-   logger/index.rst
-   registry/index.rst
-   transforms/index.rst
-   tutorial_utils/index.rst
-   typing/index.rst
-   utils/index.rst
+   /autoapi/core/common/data_parallel/index
+   /autoapi/core/common/distutils/index
+   /autoapi/core/common/flags/index
+   /autoapi/core/common/gp_utils/index
+   /autoapi/core/common/hpo_utils/index
+   /autoapi/core/common/logger/index
+   /autoapi/core/common/registry/index
+   /autoapi/core/common/transforms/index
+   /autoapi/core/common/tutorial_utils/index
+   /autoapi/core/common/typing/index
+   /autoapi/core/common/utils/index
 
 
diff --git a/_sources/autoapi/core/common/logger/index.rst b/_sources/autoapi/core/common/logger/index.rst
index 5beb6e62f..e35d062ef 100644
--- a/_sources/autoapi/core/common/logger/index.rst
+++ b/_sources/autoapi/core/common/logger/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.logger`
-============================
+core.common.logger
+==================
 
 .. py:module:: core.common.logger
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -25,83 +22,104 @@ Classes
    core.common.logger.TensorboardLogger
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Logger(config)
 
-
    Bases: :py:obj:`abc.ABC`
 
+
    Generic class to interface with various logging modules, e.g. wandb,
    tensorboard, etc.
 
+
    .. py:method:: watch(model)
       :abstractmethod:
 
+
       Monitor parameters and gradients.
 
 
+
    .. py:method:: log(update_dict, step: int, split: str = '')
 
       Log some values.
 
 
+
    .. py:method:: log_plots(plots) -> None
       :abstractmethod:
 
 
+
    .. py:method:: mark_preempting() -> None
       :abstractmethod:
 
 
 
-.. py:class:: WandBLogger(config)
+   .. py:method:: log_summary(summary_dict: dict[str, Any]) -> None
+      :abstractmethod:
+
 
 
+.. py:class:: WandBLogger(config)
+
    Bases: :py:obj:`Logger`
 
+
    Generic class to interface with various logging modules, e.g. wandb,
    tensorboard, etc.
 
+
    .. py:method:: watch(model) -> None
 
       Monitor parameters and gradients.
 
 
+
    .. py:method:: log(update_dict, step: int, split: str = '') -> None
 
       Log some values.
 
 
+
    .. py:method:: log_plots(plots, caption: str = '') -> None
 
 
-   .. py:method:: mark_preempting() -> None
+   .. py:method:: log_summary(summary_dict: dict[str, Any])
 
 
+   .. py:method:: mark_preempting() -> None
 
-.. py:class:: TensorboardLogger(config)
 
+.. py:class:: TensorboardLogger(config)
 
    Bases: :py:obj:`Logger`
 
+
    Generic class to interface with various logging modules, e.g. wandb,
    tensorboard, etc.
 
+
    .. py:method:: watch(model) -> bool
 
       Monitor parameters and gradients.
 
 
+
    .. py:method:: log(update_dict, step: int, split: str = '')
 
       Log some values.
 
 
+
    .. py:method:: mark_preempting() -> None
 
 
    .. py:method:: log_plots(plots) -> None
 
 
+   .. py:method:: log_summary(summary_dict: dict[str, Any]) -> None
+
 
diff --git a/_sources/autoapi/core/common/registry/index.rst b/_sources/autoapi/core/common/registry/index.rst
index e926f05d1..f9153685c 100644
--- a/_sources/autoapi/core/common/registry/index.rst
+++ b/_sources/autoapi/core/common/registry/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.registry`
-==============================
+core.common.registry
+====================
 
 .. py:module:: core.common.registry
 
@@ -28,61 +28,54 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.common.registry.R
+   core.common.registry.NestedDict
+   core.common.registry.registry
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.common.registry.Registry
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.common.registry._get_absolute_mapping
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.common.registry.R
-   core.common.registry.NestedDict
-   core.common.registry.registry
-
+Module Contents
+---------------
 
 .. py:data:: R
 
-   
-
 .. py:data:: NestedDict
 
-   
-
 .. py:function:: _get_absolute_mapping(name: str)
 
-
 .. py:class:: Registry
 
-
    Class for registry object which acts as central source of truth.
 
+
    .. py:attribute:: mapping
-      :type: ClassVar[NestedDict]
+      :type:  ClassVar[NestedDict]
 
-      
 
    .. py:method:: register_task(name: str)
       :classmethod:
 
+
       Register a new task to registry with key 'name'
       :param name: Key with which the task will be registered.
 
@@ -94,9 +87,11 @@ Attributes
               ...
 
 
+
    .. py:method:: register_dataset(name: str)
       :classmethod:
 
+
       Register a dataset to registry with key 'name'
 
       :param name: Key with which the dataset will be registered.
@@ -111,9 +106,11 @@ Attributes
               ...
 
 
+
    .. py:method:: register_model(name: str)
       :classmethod:
 
+
       Register a model to registry with key 'name'
 
       :param name: Key with which the model will be registered.
@@ -128,9 +125,11 @@ Attributes
               ...
 
 
+
    .. py:method:: register_logger(name: str)
       :classmethod:
 
+
       Register a logger to registry with key 'name'
 
       :param name: Key with which the logger will be registered.
@@ -144,9 +143,11 @@ Attributes
               ...
 
 
+
    .. py:method:: register_trainer(name: str)
       :classmethod:
 
+
       Register a trainer to registry with key 'name'
 
       :param name: Key with which the trainer will be registered.
@@ -160,9 +161,11 @@ Attributes
               ...
 
 
+
    .. py:method:: register(name: str, obj) -> None
       :classmethod:
 
+
       Register an item to registry with key 'name'
 
       :param name: Key with which the item will be registered.
@@ -174,37 +177,46 @@ Attributes
           registry.register("config", {})
 
 
+
    .. py:method:: __import_error(name: str, mapping_name: str) -> RuntimeError
       :classmethod:
 
 
+
    .. py:method:: get_class(name: str, mapping_name: str)
       :classmethod:
 
 
+
    .. py:method:: get_task_class(name: str)
       :classmethod:
 
 
+
    .. py:method:: get_dataset_class(name: str)
       :classmethod:
 
 
+
    .. py:method:: get_model_class(name: str)
       :classmethod:
 
 
+
    .. py:method:: get_logger_class(name: str)
       :classmethod:
 
 
+
    .. py:method:: get_trainer_class(name: str)
       :classmethod:
 
 
+
    .. py:method:: get(name: str, default=None, no_warning: bool = False)
       :classmethod:
 
+
       Get an item from registry with key 'name'
 
       :param name: Key whose value needs to be retrieved.
@@ -223,9 +235,11 @@ Attributes
           config = registry.get("config")
 
 
+
    .. py:method:: unregister(name: str)
       :classmethod:
 
+
       Remove an item from registry with key 'name'
 
       :param name: Key which needs to be removed.
@@ -240,5 +254,3 @@ Attributes
 
 .. py:data:: registry
 
-   
-
diff --git a/_sources/autoapi/core/common/relaxation/ase_utils/index.rst b/_sources/autoapi/core/common/relaxation/ase_utils/index.rst
index 31ed7d88a..a08b4245f 100644
--- a/_sources/autoapi/core/common/relaxation/ase_utils/index.rst
+++ b/_sources/autoapi/core/common/relaxation/ase_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.relaxation.ase_utils`
-==========================================
+core.common.relaxation.ase_utils
+================================
 
 .. py:module:: core.common.relaxation.ase_utils
 
@@ -17,35 +17,32 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.common.relaxation.ase_utils.OCPCalculator
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.common.relaxation.ase_utils.batch_to_atoms
 
 
+Module Contents
+---------------
 
 .. py:function:: batch_to_atoms(batch)
 
-
 .. py:class:: OCPCalculator(config_yml: str | None = None, checkpoint_path: str | None = None, model_name: str | None = None, local_cache: str | None = None, trainer: str | None = None, cutoff: int = 6, max_neighbors: int = 50, cpu: bool = True, seed: int | None = None)
 
-
    Bases: :py:obj:`ase.calculators.calculator.Calculator`
 
+
    Base-class for all ASE calculators.
 
    A calculator must raise PropertyNotImplementedError if asked for a
@@ -57,11 +54,12 @@ Functions
    properties: 'energy', 'forces', 'stress', 'dipole', 'charges',
    'magmom' and 'magmoms'.
 
+
    .. py:attribute:: implemented_properties
-      :type: ClassVar[list[str]]
+      :type:  ClassVar[list[str]]
       :value: ['energy', 'forces']
 
-      
+
 
    .. py:method:: load_checkpoint(checkpoint_path: str, checkpoint: dict | None = None) -> None
 
@@ -71,6 +69,7 @@ Functions
                               Path to trained model
 
 
+
    .. py:method:: calculate(atoms: ase.Atoms, properties, system_changes) -> None
 
       Do the calculation.
diff --git a/_sources/autoapi/core/common/relaxation/index.rst b/_sources/autoapi/core/common/relaxation/index.rst
index 467dcf222..92c93dc8c 100644
--- a/_sources/autoapi/core/common/relaxation/index.rst
+++ b/_sources/autoapi/core/common/relaxation/index.rst
@@ -1,25 +1,25 @@
-:py:mod:`core.common.relaxation`
-================================
+core.common.relaxation
+======================
 
 .. py:module:: core.common.relaxation
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   optimizers/index.rst
+   /autoapi/core/common/relaxation/optimizers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   ase_utils/index.rst
-   ml_relaxation/index.rst
+   /autoapi/core/common/relaxation/ase_utils/index
+   /autoapi/core/common/relaxation/ml_relaxation/index
 
 
diff --git a/_sources/autoapi/core/common/relaxation/ml_relaxation/index.rst b/_sources/autoapi/core/common/relaxation/ml_relaxation/index.rst
index bde58704f..6596764e4 100644
--- a/_sources/autoapi/core/common/relaxation/ml_relaxation/index.rst
+++ b/_sources/autoapi/core/common/relaxation/ml_relaxation/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.relaxation.ml_relaxation`
-==============================================
+core.common.relaxation.ml_relaxation
+====================================
 
 .. py:module:: core.common.relaxation.ml_relaxation
 
@@ -12,18 +12,16 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.common.relaxation.ml_relaxation.ml_relax
 
 
+Module Contents
+---------------
 
 .. py:function:: ml_relax(batch, model, steps: int, fmax: float, relax_opt, save_full_traj, device: str = 'cuda:0', transform=None, early_stop_batch: bool = False)
 
diff --git a/_sources/autoapi/core/common/relaxation/optimizers/index.rst b/_sources/autoapi/core/common/relaxation/optimizers/index.rst
index 2d9ed8efc..7d2b58ba1 100644
--- a/_sources/autoapi/core/common/relaxation/optimizers/index.rst
+++ b/_sources/autoapi/core/common/relaxation/optimizers/index.rst
@@ -1,15 +1,15 @@
-:py:mod:`core.common.relaxation.optimizers`
-===========================================
+core.common.relaxation.optimizers
+=================================
 
 .. py:module:: core.common.relaxation.optimizers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   lbfgs_torch/index.rst
+   /autoapi/core/common/relaxation/optimizers/lbfgs_torch/index
 
 
diff --git a/_sources/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.rst b/_sources/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.rst
index c8606dd66..81823ad91 100644
--- a/_sources/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.rst
+++ b/_sources/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.relaxation.optimizers.lbfgs_torch`
-=======================================================
+core.common.relaxation.optimizers.lbfgs_torch
+=============================================
 
 .. py:module:: core.common.relaxation.optimizers.lbfgs_torch
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,11 +21,11 @@ Classes
    core.common.relaxation.optimizers.lbfgs_torch.TorchCalc
 
 
-
+Module Contents
+---------------
 
 .. py:class:: LBFGS(batch: torch_geometric.data.Batch, model: TorchCalc, maxstep: float = 0.01, memory: int = 100, damping: float = 0.25, alpha: float = 100.0, force_consistent=None, device: str = 'cuda:0', save_full_traj: bool = True, traj_dir: pathlib.Path | None = None, traj_names=None, early_stop_batch: bool = False)
 
-
    .. py:method:: get_energy_and_forces(apply_constraint: bool = True)
 
 
@@ -47,14 +44,11 @@ Classes
    .. py:method:: write(energy, forces, update_mask) -> None
 
 
-
 .. py:class:: TorchCalc(model, transform=None)
 
-
    .. py:method:: get_energy_and_forces(atoms, apply_constraint: bool = True)
 
 
    .. py:method:: update_graph(atoms)
 
 
-
diff --git a/_sources/autoapi/core/common/transforms/index.rst b/_sources/autoapi/core/common/transforms/index.rst
index 432b4868a..2b7c552e4 100644
--- a/_sources/autoapi/core/common/transforms/index.rst
+++ b/_sources/autoapi/core/common/transforms/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.transforms`
-================================
+core.common.transforms
+======================
 
 .. py:module:: core.common.transforms
 
@@ -12,22 +12,19 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.common.transforms.RandomRotate
 
 
-
+Module Contents
+---------------
 
 .. py:class:: RandomRotate(degrees, axes: list[int] | None = None)
 
-
    Rotates node positions around a specific axis by a randomly sampled
    factor within a given interval.
 
@@ -39,6 +36,7 @@ Classes
    :param axes: The rotation axes. (default: `[0, 1, 2]`)
    :type axes: int, optional
 
+
    .. py:method:: __call__(data)
 
 
diff --git a/_sources/autoapi/core/common/tutorial_utils/index.rst b/_sources/autoapi/core/common/tutorial_utils/index.rst
index 8efa71380..094ba6d29 100644
--- a/_sources/autoapi/core/common/tutorial_utils/index.rst
+++ b/_sources/autoapi/core/common/tutorial_utils/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`core.common.tutorial_utils`
-====================================
+core.common.tutorial_utils
+==========================
 
 .. py:module:: core.common.tutorial_utils
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -20,6 +16,8 @@ Functions
    core.common.tutorial_utils.generate_yml_config
 
 
+Module Contents
+---------------
 
 .. py:function:: fairchem_root()
 
diff --git a/_sources/autoapi/core/common/typing/index.rst b/_sources/autoapi/core/common/typing/index.rst
index 1b9a4a5cc..a135929ca 100644
--- a/_sources/autoapi/core/common/typing/index.rst
+++ b/_sources/autoapi/core/common/typing/index.rst
@@ -1,15 +1,19 @@
-:py:mod:`core.common.typing`
-============================
+core.common.typing
+==================
 
 .. py:module:: core.common.typing
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.common.typing._T
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,22 +21,12 @@ Functions
    core.common.typing.none_throws
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.common.typing._T
-
+Module Contents
+---------------
 
 .. py:data:: _T
 
-   
-
 .. py:function:: assert_is_instance(obj: object, cls: type[_T]) -> _T
 
-
 .. py:function:: none_throws(x: _T | None, msg: str | None = None) -> _T
 
-
diff --git a/_sources/autoapi/core/common/utils/index.rst b/_sources/autoapi/core/common/utils/index.rst
index 629dfcda4..ab7212b98 100644
--- a/_sources/autoapi/core/common/utils/index.rst
+++ b/_sources/autoapi/core/common/utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.common.utils`
-===========================
+core.common.utils
+=================
 
 .. py:module:: core.common.utils
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -25,9 +22,8 @@ Classes
    core.common.utils.SeverityLevelBetween
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -70,14 +66,15 @@ Functions
    core.common.utils.get_loss_module
 
 
+Module Contents
+---------------
 
 .. py:class:: UniqueKeyLoader(stream)
 
-
    Bases: :py:obj:`yaml.SafeLoader`
 
-   .. py:method:: construct_mapping(node, deep=False)
 
+   .. py:method:: construct_mapping(node, deep=False)
 
 
 .. py:function:: pyg2_data_transform(data: torch_geometric.data.Data)
@@ -88,14 +85,11 @@ Functions
 
 .. py:function:: save_checkpoint(state, checkpoint_dir: str = 'checkpoints/', checkpoint_file: str = 'checkpoint.pt') -> str
 
-
 .. py:class:: Complete
 
-
    .. py:method:: __call__(data)
 
 
-
 .. py:function:: warmup_lr_lambda(current_step: int, optim_config)
 
    Returns a learning rate multiplier.
@@ -105,7 +99,6 @@ Functions
 
 .. py:function:: print_cuda_usage() -> None
 
-
 .. py:function:: conditional_grad(dec)
 
    Decorator to enable/disable grad depending on whether force/energy predictions are being made
@@ -113,13 +106,10 @@ Functions
 
 .. py:function:: plot_histogram(data, xlabel: str = '', ylabel: str = '', title: str = '')
 
-
 .. py:function:: collate(data_list)
 
-
 .. py:function:: add_edge_distance_to_graph(batch, device='cpu', dmin: float = 0.0, dmax: float = 6.0, num_gaussians: int = 50)
 
-
 .. py:function:: _import_local_file(path: pathlib.Path, *, project_root: pathlib.Path) -> None
 
    Imports a Python file as a module
@@ -149,10 +139,8 @@ Functions
 
 .. py:function:: setup_imports(config: dict | None = None) -> None
 
-
 .. py:function:: dict_set_recursively(dictionary, key_sequence, val) -> None
 
-
 .. py:function:: parse_value(value)
 
    Parse string as Python literal if possible and fallback to string.
@@ -166,22 +154,16 @@ Functions
 
 .. py:function:: load_config(path: str, previous_includes: list | None = None)
 
-
 .. py:function:: build_config(args, args_override)
 
-
 .. py:function:: create_grid(base_config, sweep_file: str)
 
-
 .. py:function:: save_experiment_log(args, jobs, configs)
 
-
 .. py:function:: get_pbc_distances(pos, edge_index, cell, cell_offsets, neighbors, return_offsets: bool = False, return_distance_vec: bool = False)
 
-
 .. py:function:: radius_graph_pbc(data, radius, max_num_neighbors_threshold, enforce_max_neighbors_strictly: bool = False, pbc=None)
 
-
 .. py:function:: get_max_neighbors_mask(natoms, index, atom_distance, max_num_neighbors_threshold, degeneracy_tolerance: float = 0.01, enforce_max_strictly: bool = False)
 
    Give a mask that filters out edges so that each atom has at most
@@ -200,7 +182,6 @@ Functions
 
 .. py:function:: get_pruned_edge_idx(edge_index, num_atoms: int, max_neigh: float = 1000000000.0) -> torch.Tensor
 
-
 .. py:function:: merge_dicts(dict1: dict, dict2: dict)
 
    Recursively merge two dictionaries.
@@ -221,9 +202,9 @@ Functions
 
 .. py:class:: SeverityLevelBetween(min_level: int, max_level: int)
 
-
    Bases: :py:obj:`logging.Filter`
 
+
    Filter instances are used to perform arbitrary filtering of LogRecords.
 
    Loggers and Handlers can optionally use Filter instances to filter
@@ -233,6 +214,7 @@ Functions
    "A.B.C", "A.B.C.D", "A.B.D" etc. but not "A.BB", "B.A.B" etc. If
    initialized with the empty string, all events are passed.
 
+
    .. py:method:: filter(record) -> bool
 
       Determine if the specified record is to be logged.
@@ -244,34 +226,24 @@ Functions
 
 .. py:function:: setup_logging() -> None
 
-
 .. py:function:: compute_neighbors(data, edge_index)
 
-
 .. py:function:: check_traj_files(batch, traj_dir) -> bool
 
-
 .. py:function:: new_trainer_context(*, config: dict[str, Any], distributed: bool = False)
 
-
 .. py:function:: _resolve_scale_factor_submodule(model: torch.nn.Module, name: str)
 
-
 .. py:function:: _report_incompat_keys(model: torch.nn.Module, keys: torch.nn.modules.module._IncompatibleKeys, strict: bool = False) -> tuple[list[str], list[str]]
 
-
 .. py:function:: load_state_dict(module: torch.nn.Module, state_dict: collections.abc.Mapping[str, torch.Tensor], strict: bool = True) -> tuple[list[str], list[str]]
 
-
 .. py:function:: scatter_det(*args, **kwargs)
 
-
 .. py:function:: get_commit_hash()
 
-
 .. py:function:: cg_change_mat(ang_mom: int, device: str = 'cpu') -> torch.tensor
 
-
 .. py:function:: irreps_sum(ang_mom: int) -> int
 
    Returns the sum of the dimensions of the irreps up to the specified angular momentum.
@@ -281,10 +253,9 @@ Functions
 
 .. py:function:: update_config(base_config)
 
-   Configs created prior to OCP 2.0 are organized a little different than they
+   Configs created prior to FAIRChem/OCP 2.0 are organized a little different than they
    are now. Update old configs to fit the new expected structure.
 
 
 .. py:function:: get_loss_module(loss_name)
 
-
diff --git a/_sources/autoapi/core/datasets/_utils/index.rst b/_sources/autoapi/core/datasets/_utils/index.rst
index d01a3c880..5a61a616c 100644
--- a/_sources/autoapi/core/datasets/_utils/index.rst
+++ b/_sources/autoapi/core/datasets/_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets._utils`
-==============================
+core.datasets._utils
+====================
 
 .. py:module:: core.datasets._utils
 
@@ -12,18 +12,16 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.datasets._utils.rename_data_object_keys
 
 
+Module Contents
+---------------
 
 .. py:function:: rename_data_object_keys(data_object: torch_geometric.data.Data, key_mapping: dict[str, str]) -> torch_geometric.data.Data
 
diff --git a/_sources/autoapi/core/datasets/ase_datasets/index.rst b/_sources/autoapi/core/datasets/ase_datasets/index.rst
index 2e7b438a4..8cfba4ecb 100644
--- a/_sources/autoapi/core/datasets/ase_datasets/index.rst
+++ b/_sources/autoapi/core/datasets/ase_datasets/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.ase_datasets`
-====================================
+core.datasets.ase_datasets
+==========================
 
 .. py:module:: core.datasets.ase_datasets
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,15 +23,16 @@ Classes
    core.datasets.ase_datasets.AseDBDataset
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.datasets.ase_datasets.apply_one_tags
 
 
+Module Contents
+---------------
 
 .. py:function:: apply_one_tags(atoms: ase.Atoms, skip_if_nonzero: bool = True, skip_always: bool = False)
 
@@ -55,9 +53,9 @@ Functions
 
 .. py:class:: AseAtomsDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`torch.utils.data.Dataset`, :py:obj:`abc.ABC`
 
+
    This is an abstract Dataset that includes helpful utilities for turning
    ASE atoms objects into OCP-usable data objects. This should not be instantiated directly
    as get_atoms_object and load_dataset_get_ids are not implemented in this base class.
@@ -71,6 +69,7 @@ Functions
 
    Identifiers need not be any particular type.
 
+
    .. py:method:: __len__() -> int
 
 
@@ -81,26 +80,28 @@ Functions
       :abstractmethod:
 
 
+
    .. py:method:: _load_dataset_get_ids(config)
       :abstractmethod:
 
 
+
    .. py:method:: get_relaxed_energy(identifier)
       :abstractmethod:
 
 
+
    .. py:method:: close_db() -> None
 
 
    .. py:method:: get_metadata(num_samples: int = 100) -> dict
 
 
-
 .. py:class:: AseReadDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset uses ase.io.read to load data from a directory on disk.
    This is intended for small-scale testing and demonstrations of OCP.
    Larger datasets are better served by the efficiency of other dataset types
@@ -144,6 +145,7 @@ Functions
                            object. Useful for applying tags, for example.
    :type atoms_transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config) -> list[pathlib.Path]
 
 
@@ -153,12 +155,11 @@ Functions
    .. py:method:: get_relaxed_energy(identifier) -> float
 
 
-
 .. py:class:: AseReadMultiStructureDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset can read multiple structures from each file using ase.io.read.
    The disadvantage is that all files must be read at startup.
    This is a significant cost for large datasets.
@@ -217,6 +218,7 @@ Functions
    :param transform: Additional preprocessing function for the Data object
    :type transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config) -> list[str]
 
 
@@ -229,12 +231,11 @@ Functions
    .. py:method:: get_relaxed_energy(identifier) -> float
 
 
-
 .. py:class:: AseDBDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset connects to an ASE Database, allowing the storage of atoms objects
    with a variety of backends including JSON, SQLite, and database server options.
 
@@ -289,6 +290,7 @@ Functions
    :param transform: deprecated?
    :type transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config: dict) -> list[int]
 
 
@@ -302,10 +304,12 @@ Functions
       :rtype: atoms
 
 
+
    .. py:method:: connect_db(address: str | pathlib.Path, connect_args: dict | None = None) -> ase.db.core.Database
       :staticmethod:
 
 
+
    .. py:method:: close_db() -> None
 
 
diff --git a/_sources/autoapi/core/datasets/embeddings/atomic_radii/index.rst b/_sources/autoapi/core/datasets/embeddings/atomic_radii/index.rst
index e16ec27fc..61b0925d1 100644
--- a/_sources/autoapi/core/datasets/embeddings/atomic_radii/index.rst
+++ b/_sources/autoapi/core/datasets/embeddings/atomic_radii/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.embeddings.atomic_radii`
-===============================================
+core.datasets.embeddings.atomic_radii
+=====================================
 
 .. py:module:: core.datasets.embeddings.atomic_radii
 
@@ -11,10 +11,16 @@
 
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.embeddings.atomic_radii.ATOMIC_RADII
+
+
 Module Contents
 ---------------
 
 .. py:data:: ATOMIC_RADII
 
-   
-
diff --git a/_sources/autoapi/core/datasets/embeddings/continuous_embeddings/index.rst b/_sources/autoapi/core/datasets/embeddings/continuous_embeddings/index.rst
index 09fbe260a..f2963ea53 100644
--- a/_sources/autoapi/core/datasets/embeddings/continuous_embeddings/index.rst
+++ b/_sources/autoapi/core/datasets/embeddings/continuous_embeddings/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.embeddings.continuous_embeddings`
-========================================================
+core.datasets.embeddings.continuous_embeddings
+==============================================
 
 .. py:module:: core.datasets.embeddings.continuous_embeddings
 
@@ -22,10 +22,16 @@
 
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.embeddings.continuous_embeddings.CONTINUOUS_EMBEDDINGS
+
+
 Module Contents
 ---------------
 
 .. py:data:: CONTINUOUS_EMBEDDINGS
 
-   
-
diff --git a/_sources/autoapi/core/datasets/embeddings/index.rst b/_sources/autoapi/core/datasets/embeddings/index.rst
index 60d6b3877..40cc2f97c 100644
--- a/_sources/autoapi/core/datasets/embeddings/index.rst
+++ b/_sources/autoapi/core/datasets/embeddings/index.rst
@@ -1,19 +1,30 @@
-:py:mod:`core.datasets.embeddings`
-==================================
+core.datasets.embeddings
+========================
 
 .. py:module:: core.datasets.embeddings
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   atomic_radii/index.rst
-   continuous_embeddings/index.rst
-   khot_embeddings/index.rst
-   qmof_khot_embeddings/index.rst
+   /autoapi/core/datasets/embeddings/atomic_radii/index
+   /autoapi/core/datasets/embeddings/continuous_embeddings/index
+   /autoapi/core/datasets/embeddings/khot_embeddings/index
+   /autoapi/core/datasets/embeddings/qmof_khot_embeddings/index
+
+
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.embeddings.ATOMIC_RADII
+   core.datasets.embeddings.CONTINUOUS_EMBEDDINGS
+   core.datasets.embeddings.KHOT_EMBEDDINGS
+   core.datasets.embeddings.QMOF_KHOT_EMBEDDINGS
 
 
 Package Contents
@@ -21,17 +32,9 @@ Package Contents
 
 .. py:data:: ATOMIC_RADII
 
-   
-
 .. py:data:: CONTINUOUS_EMBEDDINGS
 
-   
-
 .. py:data:: KHOT_EMBEDDINGS
 
-   
-
 .. py:data:: QMOF_KHOT_EMBEDDINGS
 
-   
-
diff --git a/_sources/autoapi/core/datasets/embeddings/khot_embeddings/index.rst b/_sources/autoapi/core/datasets/embeddings/khot_embeddings/index.rst
index fb5181d46..c116c5e0d 100644
--- a/_sources/autoapi/core/datasets/embeddings/khot_embeddings/index.rst
+++ b/_sources/autoapi/core/datasets/embeddings/khot_embeddings/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.embeddings.khot_embeddings`
-==================================================
+core.datasets.embeddings.khot_embeddings
+========================================
 
 .. py:module:: core.datasets.embeddings.khot_embeddings
 
@@ -15,10 +15,16 @@
 
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.embeddings.khot_embeddings.KHOT_EMBEDDINGS
+
+
 Module Contents
 ---------------
 
 .. py:data:: KHOT_EMBEDDINGS
 
-   
-
diff --git a/_sources/autoapi/core/datasets/embeddings/qmof_khot_embeddings/index.rst b/_sources/autoapi/core/datasets/embeddings/qmof_khot_embeddings/index.rst
index 0ce017258..15b6b297f 100644
--- a/_sources/autoapi/core/datasets/embeddings/qmof_khot_embeddings/index.rst
+++ b/_sources/autoapi/core/datasets/embeddings/qmof_khot_embeddings/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.embeddings.qmof_khot_embeddings`
-=======================================================
+core.datasets.embeddings.qmof_khot_embeddings
+=============================================
 
 .. py:module:: core.datasets.embeddings.qmof_khot_embeddings
 
@@ -17,10 +17,16 @@
 
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.embeddings.qmof_khot_embeddings.QMOF_KHOT_EMBEDDINGS
+
+
 Module Contents
 ---------------
 
 .. py:data:: QMOF_KHOT_EMBEDDINGS
 
-   
-
diff --git a/_sources/autoapi/core/datasets/index.rst b/_sources/autoapi/core/datasets/index.rst
index 02ebbf156..057404a2a 100644
--- a/_sources/autoapi/core/datasets/index.rst
+++ b/_sources/autoapi/core/datasets/index.rst
@@ -1,37 +1,34 @@
-:py:mod:`core.datasets`
-=======================
+core.datasets
+=============
 
 .. py:module:: core.datasets
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   embeddings/index.rst
+   /autoapi/core/datasets/embeddings/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   _utils/index.rst
-   ase_datasets/index.rst
-   lmdb_database/index.rst
-   lmdb_dataset/index.rst
-   oc22_lmdb_dataset/index.rst
-   target_metadata_guesser/index.rst
+   /autoapi/core/datasets/_utils/index
+   /autoapi/core/datasets/ase_datasets/index
+   /autoapi/core/datasets/lmdb_database/index
+   /autoapi/core/datasets/lmdb_dataset/index
+   /autoapi/core/datasets/oc22_lmdb_dataset/index
+   /autoapi/core/datasets/target_metadata_guesser/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -45,21 +42,22 @@ Classes
    core.datasets.OC22LmdbDataset
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.datasets.data_list_collater
 
 
+Package Contents
+----------------
 
 .. py:class:: AseDBDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset connects to an ASE Database, allowing the storage of atoms objects
    with a variety of backends including JSON, SQLite, and database server options.
 
@@ -114,6 +112,7 @@ Functions
    :param transform: deprecated?
    :type transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config: dict) -> list[int]
 
 
@@ -127,10 +126,12 @@ Functions
       :rtype: atoms
 
 
+
    .. py:method:: connect_db(address: str | pathlib.Path, connect_args: dict | None = None) -> ase.db.core.Database
       :staticmethod:
 
 
+
    .. py:method:: close_db() -> None
 
 
@@ -144,9 +145,9 @@ Functions
 
 .. py:class:: AseReadDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset uses ase.io.read to load data from a directory on disk.
    This is intended for small-scale testing and demonstrations of OCP.
    Larger datasets are better served by the efficiency of other dataset types
@@ -190,6 +191,7 @@ Functions
                            object. Useful for applying tags, for example.
    :type atoms_transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config) -> list[pathlib.Path]
 
 
@@ -199,12 +201,11 @@ Functions
    .. py:method:: get_relaxed_energy(identifier) -> float
 
 
-
 .. py:class:: AseReadMultiStructureDataset(config: dict, atoms_transform: Callable[[ase.Atoms, Any, Ellipsis], ase.Atoms] = apply_one_tags)
 
-
    Bases: :py:obj:`AseAtomsDataset`
 
+
    This Dataset can read multiple structures from each file using ase.io.read.
    The disadvantage is that all files must be read at startup.
    This is a significant cost for large datasets.
@@ -263,6 +264,7 @@ Functions
    :param transform: Additional preprocessing function for the Data object
    :type transform: callable, optional
 
+
    .. py:method:: _load_dataset_get_ids(config) -> list[str]
 
 
@@ -275,21 +277,13 @@ Functions
    .. py:method:: get_relaxed_energy(identifier) -> float
 
 
-
 .. py:class:: LMDBDatabase(filename: str | pathlib.Path | None = None, create_indices: bool = True, use_lock_file: bool = False, serial: bool = False, readonly: bool = False, *args, **kwargs)
 
-
    Bases: :py:obj:`ase.db.core.Database`
 
-   Base class for all databases.
-
-   .. py:property:: metadata
-
-      Load the metadata from the DB if present
 
-   .. py:property:: _nextid
+   Base class for all databases.
 
-      Get the id of the next row to be written
 
    .. py:method:: __enter__() -> typing_extensions.Self
 
@@ -314,6 +308,7 @@ Functions
       Delete rows.
 
 
+
    .. py:method:: _get_row(idx: int, include_data: bool = True)
 
 
@@ -322,9 +317,18 @@ Functions
       Auxiliary function to get the ith entry, rather than a specific id
 
 
+
    .. py:method:: _select(keys, cmps: list[tuple[str, str, str]], explain: bool = False, verbosity: int = 0, limit: int | None = None, offset: int = 0, sort: str | None = None, include_data: bool = True, columns: str = 'all')
 
 
+   .. py:property:: metadata
+      Load the metadata from the DB if present
+
+
+   .. py:property:: _nextid
+      Get the id of the next row to be written
+
+
    .. py:method:: count(selection=None, **kwargs) -> int
 
       Count rows.
@@ -333,6 +337,7 @@ Functions
       len(db) to count all rows.
 
 
+
    .. py:method:: _load_ids() -> None
 
       Load ids from the DB
@@ -346,9 +351,9 @@ Functions
 
 .. py:class:: LmdbDataset(config)
 
-
    Bases: :py:obj:`torch.utils.data.Dataset`\ [\ :py:obj:`T_co`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -366,13 +371,13 @@ Functions
      sampler that yields integral indices.  To make it work with a map-style
      dataset with non-integral indices/keys, a custom sampler must be provided.
 
+
    .. py:attribute:: metadata_path
-      :type: pathlib.Path
+      :type:  pathlib.Path
 
-      
 
    .. py:attribute:: sharded
-      :type: bool
+      :type:  bool
 
       Dataset class to load from LMDB files containing relaxation
       trajectories or single point computations.
@@ -385,6 +390,7 @@ Functions
       :param config: Dataset configuration
       :type config: dict
 
+
    .. py:method:: __len__() -> int
 
 
@@ -400,12 +406,11 @@ Functions
    .. py:method:: get_metadata(num_samples: int = 100)
 
 
-
 .. py:class:: SinglePointLmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`LmdbDataset`\ [\ :py:obj:`torch_geometric.data.data.BaseData`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -426,9 +431,9 @@ Functions
 
 .. py:class:: TrajectoryLmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`LmdbDataset`\ [\ :py:obj:`torch_geometric.data.data.BaseData`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -449,12 +454,11 @@ Functions
 
 .. py:function:: data_list_collater(data_list: list[torch_geometric.data.data.BaseData], otf_graph: bool = False) -> torch_geometric.data.data.BaseData
 
-
 .. py:class:: OC22LmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`torch.utils.data.Dataset`
 
+
    Dataset class to load from LMDB files containing relaxation
    trajectories or single point computations.
 
@@ -472,6 +476,7 @@ Functions
                      (default: :obj:`None`)
    :type transform: callable, optional
 
+
    .. py:method:: __len__() -> int
 
 
@@ -484,4 +489,3 @@ Functions
    .. py:method:: close_db() -> None
 
 
-
diff --git a/_sources/autoapi/core/datasets/lmdb_database/index.rst b/_sources/autoapi/core/datasets/lmdb_database/index.rst
index 141122c97..8bb8e266c 100644
--- a/_sources/autoapi/core/datasets/lmdb_database/index.rst
+++ b/_sources/autoapi/core/datasets/lmdb_database/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.lmdb_database`
-=====================================
+core.datasets.lmdb_database
+===========================
 
 .. py:module:: core.datasets.lmdb_database
 
@@ -15,46 +15,36 @@
 
 
 
-Module Contents
----------------
-
-Classes
-~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.datasets.lmdb_database.LMDBDatabase
-
-
+   core.datasets.lmdb_database.RESERVED_KEYS
 
 
-Attributes
-~~~~~~~~~~
+Classes
+-------
 
 .. autoapisummary::
 
-   core.datasets.lmdb_database.RESERVED_KEYS
+   core.datasets.lmdb_database.LMDBDatabase
 
 
+Module Contents
+---------------
+
 .. py:data:: RESERVED_KEYS
    :value: ['nextid', 'metadata', 'deleted_ids']
 
-   
 
 .. py:class:: LMDBDatabase(filename: str | pathlib.Path | None = None, create_indices: bool = True, use_lock_file: bool = False, serial: bool = False, readonly: bool = False, *args, **kwargs)
 
-
    Bases: :py:obj:`ase.db.core.Database`
 
-   Base class for all databases.
-
-   .. py:property:: metadata
 
-      Load the metadata from the DB if present
-
-   .. py:property:: _nextid
+   Base class for all databases.
 
-      Get the id of the next row to be written
 
    .. py:method:: __enter__() -> typing_extensions.Self
 
@@ -79,6 +69,7 @@ Attributes
       Delete rows.
 
 
+
    .. py:method:: _get_row(idx: int, include_data: bool = True)
 
 
@@ -87,9 +78,18 @@ Attributes
       Auxiliary function to get the ith entry, rather than a specific id
 
 
+
    .. py:method:: _select(keys, cmps: list[tuple[str, str, str]], explain: bool = False, verbosity: int = 0, limit: int | None = None, offset: int = 0, sort: str | None = None, include_data: bool = True, columns: str = 'all')
 
 
+   .. py:property:: metadata
+      Load the metadata from the DB if present
+
+
+   .. py:property:: _nextid
+      Get the id of the next row to be written
+
+
    .. py:method:: count(selection=None, **kwargs) -> int
 
       Count rows.
@@ -98,6 +98,7 @@ Attributes
       len(db) to count all rows.
 
 
+
    .. py:method:: _load_ids() -> None
 
       Load ids from the DB
diff --git a/_sources/autoapi/core/datasets/lmdb_dataset/index.rst b/_sources/autoapi/core/datasets/lmdb_dataset/index.rst
index eeb091a11..49153c451 100644
--- a/_sources/autoapi/core/datasets/lmdb_dataset/index.rst
+++ b/_sources/autoapi/core/datasets/lmdb_dataset/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.lmdb_dataset`
-====================================
+core.datasets.lmdb_dataset
+==========================
 
 .. py:module:: core.datasets.lmdb_dataset
 
@@ -11,11 +11,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.datasets.lmdb_dataset.T_co
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,33 +29,24 @@ Classes
    core.datasets.lmdb_dataset.TrajectoryLmdbDataset
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.datasets.lmdb_dataset.data_list_collater
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.datasets.lmdb_dataset.T_co
-
+Module Contents
+---------------
 
 .. py:data:: T_co
 
-   
-
 .. py:class:: LmdbDataset(config)
 
-
    Bases: :py:obj:`torch.utils.data.Dataset`\ [\ :py:obj:`T_co`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -68,13 +64,13 @@ Attributes
      sampler that yields integral indices.  To make it work with a map-style
      dataset with non-integral indices/keys, a custom sampler must be provided.
 
+
    .. py:attribute:: metadata_path
-      :type: pathlib.Path
+      :type:  pathlib.Path
 
-      
 
    .. py:attribute:: sharded
-      :type: bool
+      :type:  bool
 
       Dataset class to load from LMDB files containing relaxation
       trajectories or single point computations.
@@ -87,6 +83,7 @@ Attributes
       :param config: Dataset configuration
       :type config: dict
 
+
    .. py:method:: __len__() -> int
 
 
@@ -102,12 +99,11 @@ Attributes
    .. py:method:: get_metadata(num_samples: int = 100)
 
 
-
 .. py:class:: SinglePointLmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`LmdbDataset`\ [\ :py:obj:`torch_geometric.data.data.BaseData`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -128,9 +124,9 @@ Attributes
 
 .. py:class:: TrajectoryLmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`LmdbDataset`\ [\ :py:obj:`torch_geometric.data.data.BaseData`\ ]
 
+
    An abstract class representing a :class:`Dataset`.
 
    All datasets that represent a map from keys to data samples should subclass
@@ -151,4 +147,3 @@ Attributes
 
 .. py:function:: data_list_collater(data_list: list[torch_geometric.data.data.BaseData], otf_graph: bool = False) -> torch_geometric.data.data.BaseData
 
-
diff --git a/_sources/autoapi/core/datasets/oc22_lmdb_dataset/index.rst b/_sources/autoapi/core/datasets/oc22_lmdb_dataset/index.rst
index fb3293db7..191570ac0 100644
--- a/_sources/autoapi/core/datasets/oc22_lmdb_dataset/index.rst
+++ b/_sources/autoapi/core/datasets/oc22_lmdb_dataset/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.datasets.oc22_lmdb_dataset`
-=========================================
+core.datasets.oc22_lmdb_dataset
+===============================
 
 .. py:module:: core.datasets.oc22_lmdb_dataset
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.datasets.oc22_lmdb_dataset.OC22LmdbDataset
 
 
-
+Module Contents
+---------------
 
 .. py:class:: OC22LmdbDataset(config, transform=None)
 
-
    Bases: :py:obj:`torch.utils.data.Dataset`
 
+
    Dataset class to load from LMDB files containing relaxation
    trajectories or single point computations.
 
@@ -47,6 +45,7 @@ Classes
                      (default: :obj:`None`)
    :type transform: callable, optional
 
+
    .. py:method:: __len__() -> int
 
 
@@ -59,4 +58,3 @@ Classes
    .. py:method:: close_db() -> None
 
 
-
diff --git a/_sources/autoapi/core/datasets/target_metadata_guesser/index.rst b/_sources/autoapi/core/datasets/target_metadata_guesser/index.rst
index 388fee8f7..b5480175c 100644
--- a/_sources/autoapi/core/datasets/target_metadata_guesser/index.rst
+++ b/_sources/autoapi/core/datasets/target_metadata_guesser/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`core.datasets.target_metadata_guesser`
-===============================================
+core.datasets.target_metadata_guesser
+=====================================
 
 .. py:module:: core.datasets.target_metadata_guesser
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -21,22 +17,18 @@ Functions
    core.datasets.target_metadata_guesser.guess_property_metadata
 
 
+Module Contents
+---------------
 
 .. py:function:: uniform_atoms_lengths(atoms_lens) -> bool
 
-
 .. py:function:: target_constant_shape(atoms_lens, target_samples) -> bool
 
-
 .. py:function:: target_per_atom(atoms_lens, target_samples) -> bool
 
-
 .. py:function:: target_extensive(atoms_lens, target_samples, threshold: float = 0.2)
 
-
 .. py:function:: guess_target_metadata(atoms_len, target_samples)
 
-
 .. py:function:: guess_property_metadata(atoms_list)
 
-
diff --git a/_sources/autoapi/core/index.rst b/_sources/autoapi/core/index.rst
index 8545d1d1b..cedec94b3 100644
--- a/_sources/autoapi/core/index.rst
+++ b/_sources/autoapi/core/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core`
-==============
+core
+====
 
 .. py:module:: core
 
@@ -14,26 +14,26 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   common/index.rst
-   datasets/index.rst
-   models/index.rst
-   modules/index.rst
-   preprocessing/index.rst
-   scripts/index.rst
-   tasks/index.rst
-   trainers/index.rst
+   /autoapi/core/common/index
+   /autoapi/core/datasets/index
+   /autoapi/core/models/index
+   /autoapi/core/modules/index
+   /autoapi/core/preprocessing/index
+   /autoapi/core/scripts/index
+   /autoapi/core/tasks/index
+   /autoapi/core/trainers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   _cli/index.rst
+   /autoapi/core/_cli/index
 
 
diff --git a/_sources/autoapi/core/models/base/index.rst b/_sources/autoapi/core/models/base/index.rst
index 649adc9ff..1560f650e 100644
--- a/_sources/autoapi/core/models/base/index.rst
+++ b/_sources/autoapi/core/models/base/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.base`
-==========================
+core.models.base
+================
 
 .. py:module:: core.models.base
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.base.BaseModel
 
 
-
+Module Contents
+---------------
 
 .. py:class:: BaseModel(num_atoms=None, bond_feat_dim=None, num_targets=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -61,17 +59,20 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: forward(data)
       :abstractmethod:
 
 
+
    .. py:method:: generate_graph(data, cutoff=None, max_neighbors=None, use_pbc=None, otf_graph=None, enforce_max_neighbors_strictly=None)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
+
    .. py:method:: no_weight_decay() -> list
 
       Returns a list of parameters with no weight decay.
diff --git a/_sources/autoapi/core/models/dimenet_plus_plus/index.rst b/_sources/autoapi/core/models/dimenet_plus_plus/index.rst
index d01d3f104..2e662dfa2 100644
--- a/_sources/autoapi/core/models/dimenet_plus_plus/index.rst
+++ b/_sources/autoapi/core/models/dimenet_plus_plus/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.dimenet_plus_plus`
-=======================================
+core.models.dimenet_plus_plus
+=============================
 
 .. py:module:: core.models.dimenet_plus_plus
 
@@ -39,11 +39,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.models.dimenet_plus_plus.sym
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -53,25 +58,18 @@ Classes
    core.models.dimenet_plus_plus.DimeNetPlusPlusWrap
 
 
-
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.models.dimenet_plus_plus.sym
-
+Module Contents
+---------------
 
 .. py:data:: sym
+   :value: None
 
-   
 
 .. py:class:: InteractionPPBlock(hidden_channels: int, int_emb_size: int, basis_emb_size: int, num_spherical: int, num_radial: int, num_before_skip: int, num_after_skip: int, act='silu')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -103,18 +101,18 @@ Attributes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: reset_parameters() -> None
 
 
    .. py:method:: forward(x, rbf, sbf, idx_kj, idx_ji)
 
 
-
 .. py:class:: OutputPPBlock(num_radial: int, hidden_channels: int, out_emb_channels: int, out_channels: int, num_layers: int, act: str = 'silu')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -146,18 +144,18 @@ Attributes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: reset_parameters() -> None
 
 
    .. py:method:: forward(x, rbf, i, num_nodes: int | None = None)
 
 
-
 .. py:class:: DimeNetPlusPlus(hidden_channels: int, out_channels: int, num_blocks: int, int_emb_size: int, basis_emb_size: int, out_emb_channels: int, num_spherical: int, num_radial: int, cutoff: float = 5.0, envelope_exponent: int = 5, num_before_skip: int = 1, num_after_skip: int = 2, num_output_layers: int = 3, act: str = 'silu')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    DimeNet++ implementation based on https://github.com/klicperajo/dimenet.
 
    :param hidden_channels: Hidden embedding size.
@@ -190,10 +188,11 @@ Attributes
    :param act: (function, optional): The activation funtion.
                (default: :obj:`silu`)
 
+
    .. py:attribute:: url
       :value: 'https://github.com/klicperajo/dimenet/raw/master/pretrained'
 
-      
+
 
    .. py:method:: reset_parameters() -> None
 
@@ -208,9 +207,9 @@ Attributes
 
 .. py:class:: DimeNetPlusPlusWrap(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, hidden_channels: int = 128, num_blocks: int = 4, int_emb_size: int = 64, basis_emb_size: int = 8, out_emb_channels: int = 256, num_spherical: int = 7, num_radial: int = 6, otf_graph: bool = False, cutoff: float = 10.0, envelope_exponent: int = 5, num_before_skip: int = 1, num_after_skip: int = 2, num_output_layers: int = 3)
 
-
    Bases: :py:obj:`DimeNetPlusPlus`, :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    DimeNet++ implementation based on https://github.com/klicperajo/dimenet.
 
    :param hidden_channels: Hidden embedding size.
@@ -243,9 +242,6 @@ Attributes
    :param act: (function, optional): The activation funtion.
                (default: :obj:`silu`)
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: _forward(data)
 
@@ -253,4 +249,8 @@ Attributes
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/activation/index.rst b/_sources/autoapi/core/models/equiformer_v2/activation/index.rst
index 89e859a6b..902e99d3f 100644
--- a/_sources/autoapi/core/models/equiformer_v2/activation/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/activation/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`core.models.equiformer_v2.activation`
-==============================================
+core.models.equiformer_v2.activation
+====================================
 
 .. py:module:: core.models.equiformer_v2.activation
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -23,13 +20,14 @@ Classes
    core.models.equiformer_v2.activation.SeparableS2Activation
 
 
-
+Module Contents
+---------------
 
 .. py:class:: ScaledSiLU(inplace: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -61,6 +59,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(inputs)
 
 
@@ -76,9 +75,9 @@ Classes
 
 .. py:class:: ScaledSwiGLU(in_channels: int, out_channels: int, bias: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -110,15 +109,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(inputs)
 
+   .. py:method:: forward(inputs)
 
 
 .. py:class:: SwiGLU(in_channels: int, out_channels: int, bias: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -150,15 +149,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(inputs)
 
+   .. py:method:: forward(inputs)
 
 
 .. py:class:: SmoothLeakyReLU(negative_slope: float = 0.2)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -190,6 +189,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(x)
 
 
@@ -205,9 +205,9 @@ Classes
 
 .. py:class:: ScaledSmoothLeakyReLU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -239,6 +239,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(x)
 
 
@@ -254,9 +255,9 @@ Classes
 
 .. py:class:: ScaledSigmoid
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -288,15 +289,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: GateActivation(lmax: int, mmax: int, num_channels: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -328,6 +329,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(gating_scalars, input_tensors)
 
       `gating_scalars`: shape [N, lmax * num_channels]
@@ -337,20 +339,20 @@ Classes
 
 .. py:class:: S2Activation(lmax: int, mmax: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Assume we only have one resolution
 
-   .. py:method:: forward(inputs, SO3_grid)
 
+   .. py:method:: forward(inputs, SO3_grid)
 
 
 .. py:class:: SeparableS2Activation(lmax: int, mmax: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -382,7 +384,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(input_scalars, input_tensors, SO3_grid)
 
+   .. py:method:: forward(input_scalars, input_tensors, SO3_grid)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/drop/index.rst b/_sources/autoapi/core/models/equiformer_v2/drop/index.rst
index d753703b5..07e19be19 100644
--- a/_sources/autoapi/core/models/equiformer_v2/drop/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/drop/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.equiformer_v2.drop`
-========================================
+core.models.equiformer_v2.drop
+==============================
 
 .. py:module:: core.models.equiformer_v2.drop
 
@@ -10,11 +10,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -25,15 +22,16 @@ Classes
    core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.drop.drop_path
 
 
+Module Contents
+---------------
 
 .. py:function:: drop_path(x: torch.Tensor, drop_prob: float = 0.0, training: bool = False) -> torch.Tensor
 
@@ -47,11 +45,12 @@ Functions
 
 .. py:class:: DropPath(drop_prob: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Drop paths (Stochastic Depth) per sample  (when applied in main path of residual blocks).
 
+
    .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
@@ -67,11 +66,12 @@ Functions
 
 .. py:class:: GraphDropPath(drop_prob: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Consider batch for graph data when dropping paths.
 
+
    .. py:method:: forward(x: torch.Tensor, batch) -> torch.Tensor
 
 
@@ -87,9 +87,9 @@ Functions
 
 .. py:class:: EquivariantDropout(irreps, drop_prob: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -121,15 +121,15 @@ Functions
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: EquivariantScalarsDropout(irreps, drop_prob: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -161,6 +161,7 @@ Functions
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
@@ -176,9 +177,9 @@ Functions
 
 .. py:class:: EquivariantDropoutArraySphericalHarmonics(drop_prob: float, drop_graph: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -210,6 +211,7 @@ Functions
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(x: torch.Tensor, batch=None) -> torch.Tensor
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/edge_rot_mat/index.rst b/_sources/autoapi/core/models/equiformer_v2/edge_rot_mat/index.rst
index 364942232..eb2ea53b1 100644
--- a/_sources/autoapi/core/models/equiformer_v2/edge_rot_mat/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/edge_rot_mat/index.rst
@@ -1,22 +1,19 @@
-:py:mod:`core.models.equiformer_v2.edge_rot_mat`
-================================================
+core.models.equiformer_v2.edge_rot_mat
+======================================
 
 .. py:module:: core.models.equiformer_v2.edge_rot_mat
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat
 
 
+Module Contents
+---------------
 
 .. py:function:: init_edge_rot_mat(edge_distance_vec)
 
-
diff --git a/_sources/autoapi/core/models/equiformer_v2/equiformer_v2_oc20/index.rst b/_sources/autoapi/core/models/equiformer_v2/equiformer_v2_oc20/index.rst
index c39765686..f1ec3ed9c 100644
--- a/_sources/autoapi/core/models/equiformer_v2/equiformer_v2_oc20/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/equiformer_v2_oc20/index.rst
@@ -1,46 +1,42 @@
-:py:mod:`core.models.equiformer_v2.equiformer_v2_oc20`
-======================================================
+core.models.equiformer_v2.equiformer_v2_oc20
+============================================
 
 .. py:module:: core.models.equiformer_v2.equiformer_v2_oc20
 
 
-Module Contents
----------------
-
-Classes
-~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20
-
-
+   core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES
+   core.models.equiformer_v2.equiformer_v2_oc20._AVG_DEGREE
 
 
-Attributes
-~~~~~~~~~~
+Classes
+-------
 
 .. autoapisummary::
 
-   core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES
-   core.models.equiformer_v2.equiformer_v2_oc20._AVG_DEGREE
+   core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20
+
 
+Module Contents
+---------------
 
 .. py:data:: _AVG_NUM_NODES
    :value: 77.81317
 
-   
 
 .. py:data:: _AVG_DEGREE
    :value: 23.395238876342773
 
-   
 
 .. py:class:: EquiformerV2_OC20(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = True, max_neighbors: int = 500, max_radius: float = 5.0, max_num_elements: int = 90, num_layers: int = 12, sphere_channels: int = 128, attn_hidden_channels: int = 128, num_heads: int = 8, attn_alpha_channels: int = 32, attn_value_channels: int = 16, ffn_hidden_channels: int = 512, norm_type: str = 'rms_norm_sh', lmax_list: list[int] | None = None, mmax_list: list[int] | None = None, grid_resolution: int | None = None, num_sphere_samples: int = 128, edge_channels: int = 128, use_atom_edge_embedding: bool = True, share_atom_edge_embedding: bool = False, use_m_share_rad: bool = False, distance_function: str = 'gaussian', num_distance_basis: int = 512, attn_activation: str = 'scaled_silu', use_s2_act_attn: bool = False, use_attn_renorm: bool = True, ffn_activation: str = 'scaled_silu', use_gate_act: bool = False, use_grid_mlp: bool = False, use_sep_s2_act: bool = True, alpha_drop: float = 0.1, drop_path_rate: float = 0.05, proj_drop: float = 0.0, weight_init: str = 'normal', enforce_max_neighbors_strictly: bool = True, avg_num_nodes: float | None = None, avg_degree: float | None = None, use_energy_lin_ref: bool | None = False, load_energy_lin_ref: bool | None = False)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Equiformer with graph attention built upon SO(2) convolution and feedforward network built upon S2 activation
 
    :param use_pbc: Use periodic boundary conditions
@@ -126,8 +122,6 @@ Attributes
                                You can't have use_energy_lin_ref = True and load_energy_lin_ref = False, since the model will not have the parameters for the linear references. All other combinations are fine.
    :type load_energy_lin_ref: bool
 
-   .. py:property:: num_params
-
 
    .. py:method:: forward(data)
 
@@ -135,6 +129,9 @@ Attributes
    .. py:method:: _init_edge_rot_mat(data, edge_index, edge_distance_vec)
 
 
+   .. py:property:: num_params
+
+
    .. py:method:: _init_weights(m)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/gaussian_rbf/index.rst b/_sources/autoapi/core/models/equiformer_v2/gaussian_rbf/index.rst
index c4d81a499..0bea0d12c 100644
--- a/_sources/autoapi/core/models/equiformer_v2/gaussian_rbf/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/gaussian_rbf/index.rst
@@ -1,38 +1,35 @@
-:py:mod:`core.models.equiformer_v2.gaussian_rbf`
-================================================
+core.models.equiformer_v2.gaussian_rbf
+======================================
 
 .. py:module:: core.models.equiformer_v2.gaussian_rbf
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.gaussian_rbf.gaussian
 
 
+Module Contents
+---------------
 
 .. py:function:: gaussian(x: torch.Tensor, mean, std) -> torch.Tensor
 
-
 .. py:class:: GaussianRadialBasisLayer(num_basis: int, cutoff: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -64,6 +61,7 @@ Functions
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(dist: torch.Tensor, node_atom=None, edge_src=None, edge_dst=None)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/index.rst b/_sources/autoapi/core/models/equiformer_v2/index.rst
index f845eaf72..24bf9f4c0 100644
--- a/_sources/autoapi/core/models/equiformer_v2/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/index.rst
@@ -1,57 +1,55 @@
-:py:mod:`core.models.equiformer_v2`
-===================================
+core.models.equiformer_v2
+=========================
 
 .. py:module:: core.models.equiformer_v2
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   trainers/index.rst
+   /autoapi/core/models/equiformer_v2/trainers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   activation/index.rst
-   drop/index.rst
-   edge_rot_mat/index.rst
-   equiformer_v2_oc20/index.rst
-   gaussian_rbf/index.rst
-   input_block/index.rst
-   layer_norm/index.rst
-   module_list/index.rst
-   radial_function/index.rst
-   so2_ops/index.rst
-   so3/index.rst
-   transformer_block/index.rst
-   wigner/index.rst
-
+   /autoapi/core/models/equiformer_v2/activation/index
+   /autoapi/core/models/equiformer_v2/drop/index
+   /autoapi/core/models/equiformer_v2/edge_rot_mat/index
+   /autoapi/core/models/equiformer_v2/equiformer_v2_oc20/index
+   /autoapi/core/models/equiformer_v2/gaussian_rbf/index
+   /autoapi/core/models/equiformer_v2/input_block/index
+   /autoapi/core/models/equiformer_v2/layer_norm/index
+   /autoapi/core/models/equiformer_v2/module_list/index
+   /autoapi/core/models/equiformer_v2/radial_function/index
+   /autoapi/core/models/equiformer_v2/so2_ops/index
+   /autoapi/core/models/equiformer_v2/so3/index
+   /autoapi/core/models/equiformer_v2/transformer_block/index
+   /autoapi/core/models/equiformer_v2/wigner/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.EquiformerV2
 
 
-
+Package Contents
+----------------
 
 .. py:class:: EquiformerV2(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = True, max_neighbors: int = 500, max_radius: float = 5.0, max_num_elements: int = 90, num_layers: int = 12, sphere_channels: int = 128, attn_hidden_channels: int = 128, num_heads: int = 8, attn_alpha_channels: int = 32, attn_value_channels: int = 16, ffn_hidden_channels: int = 512, norm_type: str = 'rms_norm_sh', lmax_list: list[int] | None = None, mmax_list: list[int] | None = None, grid_resolution: int | None = None, num_sphere_samples: int = 128, edge_channels: int = 128, use_atom_edge_embedding: bool = True, share_atom_edge_embedding: bool = False, use_m_share_rad: bool = False, distance_function: str = 'gaussian', num_distance_basis: int = 512, attn_activation: str = 'scaled_silu', use_s2_act_attn: bool = False, use_attn_renorm: bool = True, ffn_activation: str = 'scaled_silu', use_gate_act: bool = False, use_grid_mlp: bool = False, use_sep_s2_act: bool = True, alpha_drop: float = 0.1, drop_path_rate: float = 0.05, proj_drop: float = 0.0, weight_init: str = 'normal', enforce_max_neighbors_strictly: bool = True, avg_num_nodes: float | None = None, avg_degree: float | None = None, use_energy_lin_ref: bool | None = False, load_energy_lin_ref: bool | None = False)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Equiformer with graph attention built upon SO(2) convolution and feedforward network built upon S2 activation
 
    :param use_pbc: Use periodic boundary conditions
@@ -137,8 +135,6 @@ Classes
                                You can't have use_energy_lin_ref = True and load_energy_lin_ref = False, since the model will not have the parameters for the linear references. All other combinations are fine.
    :type load_energy_lin_ref: bool
 
-   .. py:property:: num_params
-
 
    .. py:method:: forward(data)
 
@@ -146,6 +142,9 @@ Classes
    .. py:method:: _init_edge_rot_mat(data, edge_index, edge_distance_vec)
 
 
+   .. py:property:: num_params
+
+
    .. py:method:: _init_weights(m)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/input_block/index.rst b/_sources/autoapi/core/models/equiformer_v2/input_block/index.rst
index b760c5c9f..ad4a5bf17 100644
--- a/_sources/autoapi/core/models/equiformer_v2/input_block/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/input_block/index.rst
@@ -1,27 +1,25 @@
-:py:mod:`core.models.equiformer_v2.input_block`
-===============================================
+core.models.equiformer_v2.input_block
+=====================================
 
 .. py:module:: core.models.equiformer_v2.input_block
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.input_block.EdgeDegreeEmbedding
 
 
-
+Module Contents
+---------------
 
 .. py:class:: EdgeDegreeEmbedding(sphere_channels: int, lmax_list: list[int], mmax_list: list[int], SO3_rotation, mappingReduced, max_num_elements: int, edge_channels_list, use_atom_edge_embedding: bool, rescale_factor)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    :param sphere_channels: Number of spherical channels
    :type sphere_channels: int
    :param lmax_list (list: int):       List of degrees (l) for each resolution
@@ -38,7 +36,7 @@ Classes
    :param rescale_factor: Rescale the sum aggregation
    :type rescale_factor: float
 
-   .. py:method:: forward(atomic_numbers, edge_distance, edge_index)
 
+   .. py:method:: forward(atomic_numbers, edge_distance, edge_index)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/layer_norm/index.rst b/_sources/autoapi/core/models/equiformer_v2/layer_norm/index.rst
index 20f0bf232..9230d3109 100644
--- a/_sources/autoapi/core/models/equiformer_v2/layer_norm/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/layer_norm/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.equiformer_v2.layer_norm`
-==============================================
+core.models.equiformer_v2.layer_norm
+====================================
 
 .. py:module:: core.models.equiformer_v2.layer_norm
 
@@ -13,11 +13,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -28,9 +25,8 @@ Classes
    core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -38,18 +34,18 @@ Functions
    core.models.equiformer_v2.layer_norm.get_l_to_all_m_expand_index
 
 
+Module Contents
+---------------
 
 .. py:function:: get_normalization_layer(norm_type: str, lmax: int, num_channels: int, eps: float = 1e-05, affine: bool = True, normalization: str = 'component')
 
-
 .. py:function:: get_l_to_all_m_expand_index(lmax: int)
 
-
 .. py:class:: EquivariantLayerNormArray(lmax: int, num_channels: int, eps: float = 1e-05, affine: bool = True, normalization: str = 'component')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -81,11 +77,13 @@ Functions
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
 
 
+
    .. py:method:: forward(node_input)
 
       Assume input is of shape [N, sphere_basis, C]
@@ -94,18 +92,20 @@ Functions
 
 .. py:class:: EquivariantLayerNormArraySphericalHarmonics(lmax: int, num_channels: int, eps: float = 1e-05, affine: bool = True, normalization: str = 'component', std_balance_degrees: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1. Normalize over L = 0.
    2. Normalize across all m components from degrees L > 0.
    3. Do not normalize separately for different L (L > 0).
 
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
 
 
+
    .. py:method:: forward(node_input)
 
       Assume input is of shape [N, sphere_basis, C]
@@ -114,16 +114,18 @@ Functions
 
 .. py:class:: EquivariantRMSNormArraySphericalHarmonics(lmax: int, num_channels: int, eps: float = 1e-05, affine: bool = True, normalization: str = 'component')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1. Normalize across all m components from degrees L >= 0.
 
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
 
 
+
    .. py:method:: forward(node_input)
 
       Assume input is of shape [N, sphere_basis, C]
@@ -132,17 +134,19 @@ Functions
 
 .. py:class:: EquivariantRMSNormArraySphericalHarmonicsV2(lmax: int, num_channels: int, eps: float = 1e-05, affine: bool = True, normalization: str = 'component', centering: bool = True, std_balance_degrees: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1. Normalize across all m components from degrees L >= 0.
    2. Expand weights and multiply with normalized feature to prevent slicing and concatenation.
 
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
 
 
+
    .. py:method:: forward(node_input)
 
       Assume input is of shape [N, sphere_basis, C]
@@ -151,18 +155,19 @@ Functions
 
 .. py:class:: EquivariantDegreeLayerScale(lmax: int, num_channels: int, scale_factor: float = 2.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1. Similar to Layer Scale used in CaiT (Going Deeper With Image Transformers (ICCV'21)), we scale the output of both attention and FFN.
    2. For degree L > 0, we scale down the square root of 2 * L, which is to emulate halving the number of channels when using higher L.
 
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
 
 
-   .. py:method:: forward(node_input)
 
+   .. py:method:: forward(node_input)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/module_list/index.rst b/_sources/autoapi/core/models/equiformer_v2/module_list/index.rst
index bd57f9e94..1b0d61672 100644
--- a/_sources/autoapi/core/models/equiformer_v2/module_list/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/module_list/index.rst
@@ -1,27 +1,25 @@
-:py:mod:`core.models.equiformer_v2.module_list`
-===============================================
+core.models.equiformer_v2.module_list
+=====================================
 
 .. py:module:: core.models.equiformer_v2.module_list
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.module_list.ModuleListInfo
 
 
-
+Module Contents
+---------------
 
 .. py:class:: ModuleListInfo(info_str, modules=None)
 
-
    Bases: :py:obj:`torch.nn.ModuleList`
 
+
    Holds submodules in a list.
 
    :class:`~torch.nn.ModuleList` can be indexed like a regular Python list, but
@@ -44,6 +42,7 @@ Classes
                    x = self.linears[i // 2](x) + l(x)
                return x
 
+
    .. py:method:: __repr__() -> str
 
       Return a custom repr for ModuleList that compresses repeated module representations.
diff --git a/_sources/autoapi/core/models/equiformer_v2/radial_function/index.rst b/_sources/autoapi/core/models/equiformer_v2/radial_function/index.rst
index 383894fc3..53ef0e49f 100644
--- a/_sources/autoapi/core/models/equiformer_v2/radial_function/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/radial_function/index.rst
@@ -1,30 +1,28 @@
-:py:mod:`core.models.equiformer_v2.radial_function`
-===================================================
+core.models.equiformer_v2.radial_function
+=========================================
 
 .. py:module:: core.models.equiformer_v2.radial_function
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.radial_function.RadialFunction
 
 
-
+Module Contents
+---------------
 
 .. py:class:: RadialFunction(channels_list)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Contruct a radial function (linear layers + layer normalization + SiLU) given a list of channels
 
-   .. py:method:: forward(inputs)
 
+   .. py:method:: forward(inputs)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/so2_ops/index.rst b/_sources/autoapi/core/models/equiformer_v2/so2_ops/index.rst
index 44119da12..9d33988bc 100644
--- a/_sources/autoapi/core/models/equiformer_v2/so2_ops/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/so2_ops/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`core.models.equiformer_v2.so2_ops`
-===========================================
+core.models.equiformer_v2.so2_ops
+=================================
 
 .. py:module:: core.models.equiformer_v2.so2_ops
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,13 +14,14 @@ Classes
    core.models.equiformer_v2.so2_ops.SO2_Linear
 
 
-
+Module Contents
+---------------
 
 .. py:class:: SO2_m_Convolution(m: int, sphere_channels: int, m_output_channels: int, lmax_list: list[int], mmax_list: list[int])
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO(2) Conv: Perform an SO(2) convolution on features corresponding to +- m
 
    :param m: Order of the spherical harmonic coefficients
@@ -35,15 +33,15 @@ Classes
    :param lmax_list (list: int):       List of degrees (l) for each resolution
    :param mmax_list (list: int):       List of orders (m) for each resolution
 
-   .. py:method:: forward(x_m)
 
+   .. py:method:: forward(x_m)
 
 
 .. py:class:: SO2_Convolution(sphere_channels: int, m_output_channels: int, lmax_list: list[int], mmax_list: list[int], mappingReduced, internal_weights: bool = True, edge_channels_list: list[int] | None = None, extra_m0_output_channels: int | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO(2) Block: Perform SO(2) convolutions for all m (orders)
 
    :param sphere_channels: Number of spherical channels
@@ -60,15 +58,15 @@ Classes
    :param extra_m0_output_channels: If not None, return `out_embedding` (SO3_Embedding) and `extra_m0_features` (Tensor).
    :type extra_m0_output_channels: int
 
-   .. py:method:: forward(x, x_edge)
 
+   .. py:method:: forward(x, x_edge)
 
 
 .. py:class:: SO2_Linear(sphere_channels: int, m_output_channels: int, lmax_list: list[int], mmax_list: list[int], mappingReduced, internal_weights: bool = False, edge_channels_list: list[int] | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO(2) Linear: Perform SO(2) linear for all m (orders).
 
    :param sphere_channels: Number of spherical channels
@@ -83,7 +81,7 @@ Classes
    :type internal_weights: bool
    :param edge_channels_list (list: int):  List of sizes of invariant edge embedding. For example, [input_channels, hidden_channels, hidden_channels].
 
-   .. py:method:: forward(x, x_edge)
 
+   .. py:method:: forward(x, x_edge)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/so3/index.rst b/_sources/autoapi/core/models/equiformer_v2/so3/index.rst
index 54d511980..5d10923e9 100644
--- a/_sources/autoapi/core/models/equiformer_v2/so3/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/so3/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.equiformer_v2.so3`
-=======================================
+core.models.equiformer_v2.so3
+=============================
 
 .. py:module:: core.models.equiformer_v2.so3
 
@@ -19,11 +19,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -35,24 +32,27 @@ Classes
    core.models.equiformer_v2.so3.SO3_LinearV2
 
 
-
+Module Contents
+---------------
 
 .. py:class:: CoefficientMappingModule(lmax_list: list[int], mmax_list: list[int])
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper module for coefficients used to reshape lval <--> m and to get coefficients of specific degree or order
 
    :param lmax_list (list: int):   List of maximum degree of the spherical harmonics
    :param mmax_list (list: int):   List of maximum order of the spherical harmonics
 
+
    .. py:method:: complex_idx(m: int, lmax: int, m_complex, l_harmonic)
 
       Add `m_complex` and `l_harmonic` to the input arguments
       since we cannot use `self.m_complex`.
 
 
+
    .. py:method:: coefficient_idx(lmax: int, mmax: int)
 
 
@@ -67,7 +67,6 @@ Classes
 
 .. py:class:: SO3_Embedding(length: int, lmax_list: list[int], num_channels: int, device: torch.device, dtype: torch.dtype)
 
-
    Helper functions for performing operations on irreps embedding
 
    :param length: Batch size
@@ -78,6 +77,7 @@ Classes
    :param device: Device of the output
    :param dtype: type of the output tensors
 
+
    .. py:method:: clone() -> SO3_Embedding
 
 
@@ -117,16 +117,16 @@ Classes
    .. py:method:: _from_grid(x_grid, SO3_grid, lmax: int = -1)
 
 
-
 .. py:class:: SO3_Rotation(lmax: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper functions for Wigner-D rotations
 
    :param lmax_list (list: int):   List of maximum degree of the spherical harmonics
 
+
    .. py:method:: set_wigner(rot_mat3x3)
 
 
@@ -139,12 +139,11 @@ Classes
    .. py:method:: RotationToWignerDMatrix(edge_rot_mat, start_lmax: int, end_lmax: int) -> torch.Tensor
 
 
-
 .. py:class:: SO3_Grid(lmax: int, mmax: int, normalization: str = 'integral', resolution: int | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper functions for grid representation of the irreps
 
    :param lmax: Maximum degree of the spherical harmonics
@@ -152,6 +151,7 @@ Classes
    :param mmax: Maximum order of the spherical harmonics
    :type mmax: int
 
+
    .. py:method:: get_to_grid_mat(device)
 
 
@@ -164,12 +164,11 @@ Classes
    .. py:method:: from_grid(grid, lmax: int, mmax: int)
 
 
-
 .. py:class:: SO3_Linear(in_features: int, out_features: int, lmax: int, bias: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -201,6 +200,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(input_embedding, output_scale=None)
 
 
@@ -212,9 +212,9 @@ Classes
 
 .. py:class:: SO3_LinearV2(in_features: int, out_features: int, lmax: int, bias: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -246,6 +246,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: forward(input_embedding)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/trainers/energy_trainer/index.rst b/_sources/autoapi/core/models/equiformer_v2/trainers/energy_trainer/index.rst
index c22178614..62f9ffbd1 100644
--- a/_sources/autoapi/core/models/equiformer_v2/trainers/energy_trainer/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/trainers/energy_trainer/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.equiformer_v2.trainers.energy_trainer`
-===========================================================
+core.models.equiformer_v2.trainers.energy_trainer
+=================================================
 
 .. py:module:: core.models.equiformer_v2.trainers.energy_trainer
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer
 
 
+Module Contents
+---------------
 
-
-.. py:class:: EquiformerV2EnergyTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
-
+.. py:class:: EquiformerV2EnergyTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
 
    Bases: :py:obj:`fairchem.core.trainers.OCPTrainer`
 
+
    Trainer class for the Structure to Energy & Force (S2EF) and Initial State to
    Relaxed State (IS2RS) tasks.
 
@@ -49,10 +47,10 @@ Classes
    :type dataset: dict
    :param optimizer: Optimizer configuration.
    :type optimizer: dict
-   :param loss_fns: Loss function configuration.
-   :type loss_fns: dict
-   :param eval_metrics: Evaluation metrics configuration.
-   :type eval_metrics: dict
+   :param loss_functions: Loss function configuration.
+   :type loss_functions: dict
+   :param evaluation_metrics: Evaluation metrics configuration.
+   :type evaluation_metrics: dict
    :param identifier: Experiment identifier that is appended to log directory.
    :type identifier: str
    :param run_dir: Path to the run directory where logs are to be saved.
@@ -82,7 +80,7 @@ Classes
    :param noddp: Run model without DDP.
    :type noddp: bool, optional
 
-   .. py:method:: load_extras()
 
+   .. py:method:: load_extras()
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.rst b/_sources/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.rst
index 756a4dbab..356f90355 100644
--- a/_sources/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.equiformer_v2.trainers.forces_trainer`
-===========================================================
+core.models.equiformer_v2.trainers.forces_trainer
+=================================================
 
 .. py:module:: core.models.equiformer_v2.trainers.forces_trainer
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer
 
 
+Module Contents
+---------------
 
-
-.. py:class:: EquiformerV2ForcesTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
-
+.. py:class:: EquiformerV2ForcesTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
 
    Bases: :py:obj:`fairchem.core.trainers.OCPTrainer`
 
+
    Trainer class for the Structure to Energy & Force (S2EF) and Initial State to
    Relaxed State (IS2RS) tasks.
 
@@ -49,10 +47,10 @@ Classes
    :type dataset: dict
    :param optimizer: Optimizer configuration.
    :type optimizer: dict
-   :param loss_fns: Loss function configuration.
-   :type loss_fns: dict
-   :param eval_metrics: Evaluation metrics configuration.
-   :type eval_metrics: dict
+   :param loss_functions: Loss function configuration.
+   :type loss_functions: dict
+   :param evaluation_metrics: Evaluation metrics configuration.
+   :type evaluation_metrics: dict
    :param identifier: Experiment identifier that is appended to log directory.
    :type identifier: str
    :param run_dir: Path to the run directory where logs are to be saved.
@@ -82,7 +80,7 @@ Classes
    :param noddp: Run model without DDP.
    :type noddp: bool, optional
 
-   .. py:method:: load_extras() -> None
 
+   .. py:method:: load_extras() -> None
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/trainers/index.rst b/_sources/autoapi/core/models/equiformer_v2/trainers/index.rst
index 563f298e7..d6393ec61 100644
--- a/_sources/autoapi/core/models/equiformer_v2/trainers/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/trainers/index.rst
@@ -1,17 +1,17 @@
-:py:mod:`core.models.equiformer_v2.trainers`
-============================================
+core.models.equiformer_v2.trainers
+==================================
 
 .. py:module:: core.models.equiformer_v2.trainers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   energy_trainer/index.rst
-   forces_trainer/index.rst
-   lr_scheduler/index.rst
+   /autoapi/core/models/equiformer_v2/trainers/energy_trainer/index
+   /autoapi/core/models/equiformer_v2/trainers/forces_trainer/index
+   /autoapi/core/models/equiformer_v2/trainers/lr_scheduler/index
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/trainers/lr_scheduler/index.rst b/_sources/autoapi/core/models/equiformer_v2/trainers/lr_scheduler/index.rst
index 03782ace4..5c8c83e91 100644
--- a/_sources/autoapi/core/models/equiformer_v2/trainers/lr_scheduler/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/trainers/lr_scheduler/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`core.models.equiformer_v2.trainers.lr_scheduler`
-=========================================================
+core.models.equiformer_v2.trainers.lr_scheduler
+===============================================
 
 .. py:module:: core.models.equiformer_v2.trainers.lr_scheduler
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,9 +14,8 @@ Classes
    core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -28,33 +24,27 @@ Functions
    core.models.equiformer_v2.trainers.lr_scheduler.multistep_lr_lambda
 
 
+Module Contents
+---------------
 
 .. py:function:: multiply(obj, num)
 
-
 .. py:function:: cosine_lr_lambda(current_step: int, scheduler_params)
 
-
 .. py:class:: CosineLRLambda(scheduler_params)
 
-
    .. py:method:: __call__(current_step: int)
 
 
-
 .. py:function:: multistep_lr_lambda(current_step: int, scheduler_params) -> float
 
-
 .. py:class:: MultistepLRLambda(scheduler_params)
 
-
    .. py:method:: __call__(current_step: int) -> float
 
 
-
 .. py:class:: LRScheduler(optimizer, config)
 
-
    .. rubric:: Notes
 
    1. scheduler.step() is called for every step for OC20 training.
@@ -85,6 +75,7 @@ Functions
    :param config: Optim dict from the input config
    :type config: dict
 
+
    .. py:method:: step(metrics=None, epoch=None)
 
 
@@ -94,4 +85,3 @@ Functions
    .. py:method:: get_lr() -> float | None
 
 
-
diff --git a/_sources/autoapi/core/models/equiformer_v2/transformer_block/index.rst b/_sources/autoapi/core/models/equiformer_v2/transformer_block/index.rst
index 68b72fb1e..7beb7eb0d 100644
--- a/_sources/autoapi/core/models/equiformer_v2/transformer_block/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/transformer_block/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`core.models.equiformer_v2.transformer_block`
-=====================================================
+core.models.equiformer_v2.transformer_block
+===========================================
 
 .. py:module:: core.models.equiformer_v2.transformer_block
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,13 +14,14 @@ Classes
    core.models.equiformer_v2.transformer_block.TransBlockV2
 
 
-
+Module Contents
+---------------
 
 .. py:class:: SO2EquivariantGraphAttention(sphere_channels: int, hidden_channels: int, num_heads: int, attn_alpha_channels: int, attn_value_channels: int, output_channels: int, lmax_list: list[int], mmax_list: list[int], SO3_rotation, mappingReduced, SO3_grid, max_num_elements: int, edge_channels_list, use_atom_edge_embedding: bool = True, use_m_share_rad: bool = False, activation='scaled_silu', use_s2_act_attn: bool = False, use_attn_renorm: bool = True, use_gate_act: bool = False, use_sep_s2_act: bool = True, alpha_drop: float = 0.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO2EquivariantGraphAttention: Perform MLP attention + non-linear message passing
        SO(2) Convolution with radial function -> S2 Activation -> SO(2) Convolution -> attention weights and non-linear messages
        attention weights * non-linear messages -> Linear
@@ -68,15 +66,15 @@ Classes
    :param alpha_drop: Dropout rate for attention weights
    :type alpha_drop: float
 
-   .. py:method:: forward(x: torch.Tensor, atomic_numbers, edge_distance: torch.Tensor, edge_index)
 
+   .. py:method:: forward(x: torch.Tensor, atomic_numbers, edge_distance: torch.Tensor, edge_index)
 
 
 .. py:class:: FeedForwardNetwork(sphere_channels: int, hidden_channels: int, output_channels: int, lmax_list: list[int], mmax_list: list[int], SO3_grid, activation: str = 'scaled_silu', use_gate_act: bool = False, use_grid_mlp: bool = False, use_sep_s2_act: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    FeedForwardNetwork: Perform feedforward network with S2 activation or gate activation
 
    :param sphere_channels: Number of spherical channels
@@ -98,15 +96,15 @@ Classes
    :param use_sep_s2_act: If `True`, use separable grid MLP when `use_grid_mlp` is True.
    :type use_sep_s2_act: bool
 
-   .. py:method:: forward(input_embedding)
 
+   .. py:method:: forward(input_embedding)
 
 
 .. py:class:: TransBlockV2(sphere_channels: int, attn_hidden_channels: int, num_heads: int, attn_alpha_channels: int, attn_value_channels: int, ffn_hidden_channels: int, output_channels: int, lmax_list: list[int], mmax_list: list[int], SO3_rotation, mappingReduced, SO3_grid, max_num_elements: int, edge_channels_list: list[int], use_atom_edge_embedding: bool = True, use_m_share_rad: bool = False, attn_activation: str = 'silu', use_s2_act_attn: bool = False, use_attn_renorm: bool = True, ffn_activation: str = 'silu', use_gate_act: bool = False, use_grid_mlp: bool = False, use_sep_s2_act: bool = True, norm_type: str = 'rms_norm_sh', alpha_drop: float = 0.0, drop_path_rate: float = 0.0, proj_drop: float = 0.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    :param sphere_channels: Number of spherical channels
    :type sphere_channels: int
    :param attn_hidden_channels: Number of hidden channels used during SO(2) graph attention
@@ -159,7 +157,7 @@ Classes
    :param proj_drop: Dropout rate for outputs of attention and FFN
    :type proj_drop: float
 
-   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, batch)
 
+   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, batch)
 
 
diff --git a/_sources/autoapi/core/models/equiformer_v2/wigner/index.rst b/_sources/autoapi/core/models/equiformer_v2/wigner/index.rst
index a064782f8..5432bb5be 100644
--- a/_sources/autoapi/core/models/equiformer_v2/wigner/index.rst
+++ b/_sources/autoapi/core/models/equiformer_v2/wigner/index.rst
@@ -1,15 +1,19 @@
-:py:mod:`core.models.equiformer_v2.wigner`
-==========================================
+core.models.equiformer_v2.wigner
+================================
 
 .. py:module:: core.models.equiformer_v2.wigner
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.models.equiformer_v2.wigner._Jd
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,22 +21,12 @@ Functions
    core.models.equiformer_v2.wigner._z_rot_mat
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.models.equiformer_v2.wigner._Jd
-
+Module Contents
+---------------
 
 .. py:data:: _Jd
 
-   
-
 .. py:function:: wigner_D(lv: int, alpha: torch.Tensor, beta: torch.Tensor, gamma: torch.Tensor) -> torch.Tensor
 
-
 .. py:function:: _z_rot_mat(angle: torch.Tensor, lv: int) -> torch.Tensor
 
-
diff --git a/_sources/autoapi/core/models/escn/escn/index.rst b/_sources/autoapi/core/models/escn/escn/index.rst
index d60d22a36..802e5d213 100644
--- a/_sources/autoapi/core/models/escn/escn/index.rst
+++ b/_sources/autoapi/core/models/escn/escn/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.escn.escn`
-===============================
+core.models.escn.escn
+=====================
 
 .. py:module:: core.models.escn.escn
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -30,13 +27,14 @@ Classes
    core.models.escn.escn.ForceBlock
 
 
-
+Module Contents
+---------------
 
 .. py:class:: eSCN(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = False, max_neighbors: int = 40, cutoff: float = 8.0, max_num_elements: int = 90, num_layers: int = 8, lmax_list: list[int] | None = None, mmax_list: list[int] | None = None, sphere_channels: int = 128, hidden_channels: int = 256, edge_channels: int = 128, use_grid: bool = True, num_sphere_samples: int = 128, distance_function: str = 'gaussian', basis_width_scalar: float = 1.0, distance_resolution: float = 0.02, show_timing_info: bool = False)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Equivariant Spherical Channel Network
    Paper: Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs
 
@@ -76,9 +74,6 @@ Classes
    :param show_timing_info: Show timing and memory info
    :type show_timing_info: bool
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: forward(data)
 
@@ -86,12 +81,16 @@ Classes
    .. py:method:: _init_edge_rot_mat(data, edge_index, edge_distance_vec)
 
 
+   .. py:property:: num_params
+      :type: int
 
-.. py:class:: LayerBlock(layer_idx: int, sphere_channels: int, hidden_channels: int, edge_channels: int, lmax_list: list[int], mmax_list: list[int], distance_expansion, max_num_elements: int, SO3_grid: fairchem.core.models.escn.so3.SO3_Grid, act)
 
 
+.. py:class:: LayerBlock(layer_idx: int, sphere_channels: int, hidden_channels: int, edge_channels: int, lmax_list: list[int], mmax_list: list[int], distance_expansion, max_num_elements: int, SO3_grid: fairchem.core.models.escn.so3.SO3_Grid, act)
+
    Bases: :py:obj:`torch.nn.Module`
 
+
    Layer block: Perform one layer (message passing and aggregation) of the GNN
 
    :param layer_idx: Layer number
@@ -113,15 +112,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, SO3_edge_rot, mappingReduced)
 
+   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, SO3_edge_rot, mappingReduced)
 
 
 .. py:class:: MessageBlock(layer_idx: int, sphere_channels: int, hidden_channels: int, edge_channels: int, lmax_list: list[int], mmax_list: list[int], distance_expansion, max_num_elements: int, SO3_grid: fairchem.core.models.escn.so3.SO3_Grid, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Message block: Perform message passing
 
    :param layer_idx: Layer number
@@ -143,15 +142,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, SO3_edge_rot, mappingReduced)
 
+   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, SO3_edge_rot, mappingReduced)
 
 
 .. py:class:: SO2Block(sphere_channels: int, hidden_channels: int, edge_channels: int, lmax_list: list[int], mmax_list: list[int], act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO(2) Block: Perform SO(2) convolutions for all m (orders)
 
    :param sphere_channels: Number of spherical channels
@@ -165,15 +164,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x, x_edge, mappingReduced)
 
+   .. py:method:: forward(x, x_edge, mappingReduced)
 
 
 .. py:class:: SO2Conv(m: int, sphere_channels: int, hidden_channels: int, edge_channels: int, lmax_list: list[int], mmax_list: list[int], act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    SO(2) Conv: Perform an SO(2) convolution
 
    :param m: Order of the spherical harmonic coefficients
@@ -189,15 +188,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x_m, x_edge) -> torch.Tensor
 
+   .. py:method:: forward(x_m, x_edge) -> torch.Tensor
 
 
 .. py:class:: EdgeBlock(edge_channels, distance_expansion, max_num_elements, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Edge Block: Compute invariant edge representation from edge diatances and atomic numbers
 
    :param edge_channels: Size of invariant edge embedding
@@ -209,15 +208,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(edge_distance, source_element, target_element)
 
+   .. py:method:: forward(edge_distance, source_element, target_element)
 
 
 .. py:class:: EnergyBlock(num_channels: int, num_sphere_samples: int, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Energy Block: Output block computing the energy
 
    :param num_channels: Number of channels
@@ -227,15 +226,15 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x_pt) -> torch.Tensor
 
+   .. py:method:: forward(x_pt) -> torch.Tensor
 
 
 .. py:class:: ForceBlock(num_channels: int, num_sphere_samples: int, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Force Block: Output block computing the per atom forces
 
    :param num_channels: Number of channels
@@ -245,7 +244,7 @@ Classes
    :param act: Non-linear activation function
    :type act: function
 
-   .. py:method:: forward(x_pt, sphere_points) -> torch.Tensor
 
+   .. py:method:: forward(x_pt, sphere_points) -> torch.Tensor
 
 
diff --git a/_sources/autoapi/core/models/escn/index.rst b/_sources/autoapi/core/models/escn/index.rst
index 1a056d30e..8e4f0f2b3 100644
--- a/_sources/autoapi/core/models/escn/index.rst
+++ b/_sources/autoapi/core/models/escn/index.rst
@@ -1,37 +1,35 @@
-:py:mod:`core.models.escn`
-==========================
+core.models.escn
+================
 
 .. py:module:: core.models.escn
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   escn/index.rst
-   so3/index.rst
-
+   /autoapi/core/models/escn/escn/index
+   /autoapi/core/models/escn/so3/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.escn.eSCN
 
 
-
+Package Contents
+----------------
 
 .. py:class:: eSCN(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = False, max_neighbors: int = 40, cutoff: float = 8.0, max_num_elements: int = 90, num_layers: int = 8, lmax_list: list[int] | None = None, mmax_list: list[int] | None = None, sphere_channels: int = 128, hidden_channels: int = 256, edge_channels: int = 128, use_grid: bool = True, num_sphere_samples: int = 128, distance_function: str = 'gaussian', basis_width_scalar: float = 1.0, distance_resolution: float = 0.02, show_timing_info: bool = False)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Equivariant Spherical Channel Network
    Paper: Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs
 
@@ -71,9 +69,6 @@ Classes
    :param show_timing_info: Show timing and memory info
    :type show_timing_info: bool
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: forward(data)
 
@@ -81,4 +76,8 @@ Classes
    .. py:method:: _init_edge_rot_mat(data, edge_index, edge_distance_vec)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
 
diff --git a/_sources/autoapi/core/models/escn/so3/index.rst b/_sources/autoapi/core/models/escn/so3/index.rst
index 472a6c422..93b0061de 100644
--- a/_sources/autoapi/core/models/escn/so3/index.rst
+++ b/_sources/autoapi/core/models/escn/so3/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.escn.so3`
-==============================
+core.models.escn.so3
+====================
 
 .. py:module:: core.models.escn.so3
 
@@ -12,11 +12,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.models.escn.so3._Jd
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,41 +31,31 @@ Classes
    core.models.escn.so3.SO3_Grid
 
 
-
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.models.escn.so3._Jd
-
+Module Contents
+---------------
 
 .. py:data:: _Jd
 
-   
-
 .. py:class:: CoefficientMapping(lmax_list: list[int], mmax_list: list[int], device)
 
-
    Helper functions for coefficients used to reshape l<-->m and to get coefficients of specific degree or order
 
    :param lmax_list (list: int):   List of maximum degree of the spherical harmonics
    :param mmax_list (list: int):   List of maximum order of the spherical harmonics
    :param device: Device of the output
 
+
    .. py:method:: complex_idx(m, lmax: int = -1)
 
 
    .. py:method:: coefficient_idx(lmax: int, mmax: int) -> torch.Tensor
 
 
-
 .. py:class:: SO3_Embedding(length: int, lmax_list: list[int], num_channels: int, device: torch.device, dtype: torch.dtype)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper functions for irreps embedding
 
    :param length: Batch size
@@ -71,6 +66,7 @@ Attributes
    :param device: Device of the output
    :param dtype: type of the output tensors
 
+
    .. py:method:: clone() -> SO3_Embedding
 
 
@@ -110,18 +106,18 @@ Attributes
    .. py:method:: _from_grid(x_grid, SO3_grid, lmax: int = -1) -> None
 
 
-
 .. py:class:: SO3_Rotation(rot_mat3x3: torch.Tensor, lmax: list[int])
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper functions for Wigner-D rotations
 
    :param rot_mat3x3: Rotation matrix
    :type rot_mat3x3: tensor
    :param lmax_list (list: int):   List of maximum degree of the spherical harmonics
 
+
    .. py:method:: set_lmax(lmax) -> None
 
 
@@ -140,12 +136,11 @@ Attributes
    .. py:method:: _z_rot_mat(angle: torch.Tensor, lv: int) -> torch.Tensor
 
 
-
 .. py:class:: SO3_Grid(lmax: int, mmax: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Helper functions for grid representation of the irreps
 
    :param lmax: Maximum degree of the spherical harmonics
@@ -153,6 +148,7 @@ Attributes
    :param mmax: Maximum order of the spherical harmonics
    :type mmax: int
 
+
    .. py:method:: _initialize(device: torch.device) -> None
 
 
@@ -168,4 +164,3 @@ Attributes
    .. py:method:: from_grid(grid: torch.Tensor, lmax: int, mmax: int) -> torch.Tensor
 
 
-
diff --git a/_sources/autoapi/core/models/gemnet/gemnet/index.rst b/_sources/autoapi/core/models/gemnet/gemnet/index.rst
index 77ef7f910..7355afe78 100644
--- a/_sources/autoapi/core/models/gemnet/gemnet/index.rst
+++ b/_sources/autoapi/core/models/gemnet/gemnet/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.gemnet`
-===================================
+core.models.gemnet.gemnet
+=========================
 
 .. py:module:: core.models.gemnet.gemnet
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet.gemnet.GemNetT
 
 
-
+Module Contents
+---------------
 
 .. py:class:: GemNetT(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, regress_forces: bool = True, direct_forces: bool = False, cutoff: float = 6.0, max_neighbors: int = 50, rbf: dict | None = None, envelope: dict | None = None, cbf: dict | None = None, extensive: bool = True, otf_graph: bool = False, use_pbc: bool = True, output_init: str = 'HeOrthogonal', activation: str = 'swish', num_elements: int = 83, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    GemNet-T, triplets-only variant of GemNet
 
    :param num_atoms (int):
@@ -86,8 +84,6 @@ Classes
    :param scale_file: Path to the json file containing the scaling factors.
    :type scale_file: str
 
-   .. py:property:: num_params
-
 
    .. py:method:: get_triplets(edge_index, num_atoms)
 
@@ -99,6 +95,7 @@ Classes
                 * **id3_ragged_idx** (*torch.Tensor, shape (num_triplets,)*) -- Indices enumerating the copies of id3_ca for creating a padded matrix
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask: torch.Tensor, reorder_idx: torch.Tensor, inverse_neg) -> torch.Tensor
 
 
@@ -115,6 +112,7 @@ Classes
       But this does not seem worth it.
 
 
+
    .. py:method:: select_edges(data, edge_index, cell_offsets, neighbors, edge_dist, edge_vector, cutoff=None)
 
 
@@ -124,4 +122,6 @@ Classes
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+
 
diff --git a/_sources/autoapi/core/models/gemnet/index.rst b/_sources/autoapi/core/models/gemnet/index.rst
index cba947b66..fcb24cb97 100644
--- a/_sources/autoapi/core/models/gemnet/index.rst
+++ b/_sources/autoapi/core/models/gemnet/index.rst
@@ -1,47 +1,45 @@
-:py:mod:`core.models.gemnet`
-============================
+core.models.gemnet
+==================
 
 .. py:module:: core.models.gemnet
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   layers/index.rst
+   /autoapi/core/models/gemnet/layers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   gemnet/index.rst
-   initializers/index.rst
-   utils/index.rst
+   /autoapi/core/models/gemnet/gemnet/index
+   /autoapi/core/models/gemnet/initializers/index
+   /autoapi/core/models/gemnet/utils/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet.GemNetT
 
 
-
+Package Contents
+----------------
 
 .. py:class:: GemNetT(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, regress_forces: bool = True, direct_forces: bool = False, cutoff: float = 6.0, max_neighbors: int = 50, rbf: dict | None = None, envelope: dict | None = None, cbf: dict | None = None, extensive: bool = True, otf_graph: bool = False, use_pbc: bool = True, output_init: str = 'HeOrthogonal', activation: str = 'swish', num_elements: int = 83, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    GemNet-T, triplets-only variant of GemNet
 
    :param num_atoms (int):
@@ -98,8 +96,6 @@ Classes
    :param scale_file: Path to the json file containing the scaling factors.
    :type scale_file: str
 
-   .. py:property:: num_params
-
 
    .. py:method:: get_triplets(edge_index, num_atoms)
 
@@ -111,6 +107,7 @@ Classes
                 * **id3_ragged_idx** (*torch.Tensor, shape (num_triplets,)*) -- Indices enumerating the copies of id3_ca for creating a padded matrix
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask: torch.Tensor, reorder_idx: torch.Tensor, inverse_neg) -> torch.Tensor
 
 
@@ -127,6 +124,7 @@ Classes
       But this does not seem worth it.
 
 
+
    .. py:method:: select_edges(data, edge_index, cell_offsets, neighbors, edge_dist, edge_vector, cutoff=None)
 
 
@@ -136,4 +134,6 @@ Classes
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+
 
diff --git a/_sources/autoapi/core/models/gemnet/initializers/index.rst b/_sources/autoapi/core/models/gemnet/initializers/index.rst
index 0dc720337..794aee186 100644
--- a/_sources/autoapi/core/models/gemnet/initializers/index.rst
+++ b/_sources/autoapi/core/models/gemnet/initializers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.initializers`
-=========================================
+core.models.gemnet.initializers
+===============================
 
 .. py:module:: core.models.gemnet.initializers
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,6 +21,8 @@ Functions
    core.models.gemnet.initializers.he_orthogonal_init
 
 
+Module Contents
+---------------
 
 .. py:function:: _standardize(kernel)
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/atom_update_block/index.rst b/_sources/autoapi/core/models/gemnet/layers/atom_update_block/index.rst
index c7a1ae3b6..98951275e 100644
--- a/_sources/autoapi/core/models/gemnet/layers/atom_update_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/atom_update_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.atom_update_block`
-=====================================================
+core.models.gemnet.layers.atom_update_block
+===========================================
 
 .. py:module:: core.models.gemnet.layers.atom_update_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet.layers.atom_update_block.OutputBlock
 
 
-
+Module Contents
+---------------
 
 .. py:class:: AtomUpdateBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, activation=None, name: str = 'atom_update')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Aggregate the message embeddings of the atoms
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -42,6 +40,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: callable/str
 
+
    .. py:method:: get_mlp(units_in, units, nHidden, activation)
 
 
@@ -54,9 +53,9 @@ Classes
 
 .. py:class:: OutputBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, num_targets: int, activation=None, direct_forces: bool = True, output_init: str = 'HeOrthogonal', name: str = 'output', **kwargs)
 
-
    Bases: :py:obj:`AtomUpdateBlock`
 
+
    Combines the atom update block and subsequent final dense layer.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -74,6 +73,7 @@ Classes
    :param output_init: Kernel initializer of the final dense layer.
    :type output_init: int
 
+
    .. py:method:: reset_parameters() -> None
 
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/base_layers/index.rst b/_sources/autoapi/core/models/gemnet/layers/base_layers/index.rst
index 00868610d..6ecb05b7d 100644
--- a/_sources/autoapi/core/models/gemnet/layers/base_layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/base_layers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.base_layers`
-===============================================
+core.models.gemnet.layers.base_layers
+=====================================
 
 .. py:module:: core.models.gemnet.layers.base_layers
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,13 +23,14 @@ Classes
    core.models.gemnet.layers.base_layers.ResidualLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Dense(in_features, out_features, bias: bool = False, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Combines dense layer with scaling for swish activation.
 
    :param units: Output embedding size.
@@ -42,18 +40,18 @@ Classes
    :param bias: True if use bias.
    :type bias: bool
 
+
    .. py:method:: reset_parameters(initializer=he_orthogonal_init) -> None
 
 
    .. py:method:: forward(x)
 
 
-
 .. py:class:: ScaledSiLU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -85,15 +83,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x)
 
+   .. py:method:: forward(x)
 
 
 .. py:class:: SiQU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -125,15 +123,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x)
 
+   .. py:method:: forward(x)
 
 
 .. py:class:: ResidualLayer(units: int, nLayers: int = 2, layer=Dense, **layer_kwargs)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Residual block with output scaled by 1/sqrt(2).
 
    :param units: Output embedding size.
@@ -143,7 +141,7 @@ Classes
    :param layer_kwargs: Keyword arguments for initializing the layers.
    :type layer_kwargs: str
 
-   .. py:method:: forward(input)
 
+   .. py:method:: forward(input)
 
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/basis_utils/index.rst b/_sources/autoapi/core/models/gemnet/layers/basis_utils/index.rst
index 217afd5a0..494afc5f5 100644
--- a/_sources/autoapi/core/models/gemnet/layers/basis_utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/basis_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.basis_utils`
-===============================================
+core.models.gemnet.layers.basis_utils
+=====================================
 
 .. py:module:: core.models.gemnet.layers.basis_utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -30,6 +26,8 @@ Functions
    core.models.gemnet.layers.basis_utils.real_sph_harm
 
 
+Module Contents
+---------------
 
 .. py:function:: Jn(r: float, n: int)
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/efficient/index.rst b/_sources/autoapi/core/models/gemnet/layers/efficient/index.rst
index cc8f297eb..c35b1bdfe 100644
--- a/_sources/autoapi/core/models/gemnet/layers/efficient/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/efficient/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.efficient`
-=============================================
+core.models.gemnet.layers.efficient
+===================================
 
 .. py:module:: core.models.gemnet.layers.efficient
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet.layers.efficient.EfficientInteractionBilinear
 
 
-
+Module Contents
+---------------
 
 .. py:class:: EfficientInteractionDownProjection(num_spherical: int, num_radial: int, emb_size_interm: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Down projection in the efficient reformulation.
 
    :param emb_size_interm: Intermediate embedding size (down-projection size).
@@ -38,6 +36,7 @@ Classes
    :param kernel_initializer: Initializer of the weight matrix.
    :type kernel_initializer: callable
 
+
    .. py:method:: reset_parameters() -> None
 
 
@@ -57,9 +56,9 @@ Classes
 
 .. py:class:: EfficientInteractionBilinear(emb_size: int, emb_size_interm: int, units_out: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Efficient reformulation of the bilinear layer and subsequent summation.
 
    :param units_out: Embedding output size of the bilinear layer.
@@ -67,6 +66,7 @@ Classes
    :param kernel_initializer: Initializer of the weight matrix.
    :type kernel_initializer: callable
 
+
    .. py:method:: reset_parameters() -> None
 
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/embedding_block/index.rst b/_sources/autoapi/core/models/gemnet/layers/embedding_block/index.rst
index 72d634204..46249b993 100644
--- a/_sources/autoapi/core/models/gemnet/layers/embedding_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/embedding_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.embedding_block`
-===================================================
+core.models.gemnet.layers.embedding_block
+=========================================
 
 .. py:module:: core.models.gemnet.layers.embedding_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,18 +21,20 @@ Classes
    core.models.gemnet.layers.embedding_block.EdgeEmbedding
 
 
-
+Module Contents
+---------------
 
 .. py:class:: AtomEmbedding(emb_size, num_elements: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Initial atom embeddings based on the atom type
 
    :param emb_size: Atom embeddings size
    :type emb_size: int
 
+
    .. py:method:: forward(Z)
 
       :returns: **h** -- Atom embeddings.
@@ -45,9 +44,9 @@ Classes
 
 .. py:class:: EdgeEmbedding(atom_features, edge_features, out_features, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Edge embedding based on the concatenation of atom embeddings and subsequent dense layer.
 
    :param emb_size: Embedding size after the dense layer.
@@ -55,6 +54,7 @@ Classes
    :param activation: Activation function used in the dense layer.
    :type activation: str
 
+
    .. py:method:: forward(h, m_rbf, idx_s, idx_t)
 
       :param h:
diff --git a/_sources/autoapi/core/models/gemnet/layers/index.rst b/_sources/autoapi/core/models/gemnet/layers/index.rst
index f9b4995a6..5e60d6dbb 100644
--- a/_sources/autoapi/core/models/gemnet/layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/index.rst
@@ -1,22 +1,22 @@
-:py:mod:`core.models.gemnet.layers`
-===================================
+core.models.gemnet.layers
+=========================
 
 .. py:module:: core.models.gemnet.layers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   atom_update_block/index.rst
-   base_layers/index.rst
-   basis_utils/index.rst
-   efficient/index.rst
-   embedding_block/index.rst
-   interaction_block/index.rst
-   radial_basis/index.rst
-   spherical_basis/index.rst
+   /autoapi/core/models/gemnet/layers/atom_update_block/index
+   /autoapi/core/models/gemnet/layers/base_layers/index
+   /autoapi/core/models/gemnet/layers/basis_utils/index
+   /autoapi/core/models/gemnet/layers/efficient/index
+   /autoapi/core/models/gemnet/layers/embedding_block/index
+   /autoapi/core/models/gemnet/layers/interaction_block/index
+   /autoapi/core/models/gemnet/layers/radial_basis/index
+   /autoapi/core/models/gemnet/layers/spherical_basis/index
 
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/interaction_block/index.rst b/_sources/autoapi/core/models/gemnet/layers/interaction_block/index.rst
index a72d83836..e9211aad1 100644
--- a/_sources/autoapi/core/models/gemnet/layers/interaction_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/interaction_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.interaction_block`
-=====================================================
+core.models.gemnet.layers.interaction_block
+===========================================
 
 .. py:module:: core.models.gemnet.layers.interaction_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet.layers.interaction_block.TripletInteraction
 
 
-
+Module Contents
+---------------
 
 .. py:class:: InteractionBlockTripletsOnly(emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, activation: str | None = None, name: str = 'Interaction')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Interaction block for GemNet-T/dT.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -56,6 +54,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers except for the final dense layer.
    :type activation: str
 
+
    .. py:method:: forward(h: torch.Tensor, m: torch.Tensor, rbf3, cbf3, id3_ragged_idx, id_swap, id3_ba, id3_ca, rbf_h, idx_s, idx_t)
 
       :returns: * **h** (*torch.Tensor, shape=(nEdges, emb_size_atom)*) -- Atom embeddings.
@@ -65,9 +64,9 @@ Classes
 
 .. py:class:: TripletInteraction(emb_size_edge: int, emb_size_trip: int, emb_size_bilinear: int, emb_size_rbf: int, emb_size_cbf: int, activation: str | None = None, name: str = 'TripletInteraction', **kwargs)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Triplet-based message passing block.
 
    :param emb_size_edge: Embedding size of the edges.
@@ -83,6 +82,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers except for the final dense layer.
    :type activation: str
 
+
    .. py:method:: forward(m: torch.Tensor, rbf3, cbf3, id3_ragged_idx, id_swap, id3_ba, id3_ca)
 
       :returns: **m** -- Edge embeddings (c->a).
diff --git a/_sources/autoapi/core/models/gemnet/layers/radial_basis/index.rst b/_sources/autoapi/core/models/gemnet/layers/radial_basis/index.rst
index b2e787fff..d48c0d4c0 100644
--- a/_sources/autoapi/core/models/gemnet/layers/radial_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/radial_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.radial_basis`
-================================================
+core.models.gemnet.layers.radial_basis
+======================================
 
 .. py:module:: core.models.gemnet.layers.radial_basis
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,41 +24,42 @@ Classes
    core.models.gemnet.layers.radial_basis.RadialBasis
 
 
-
+Module Contents
+---------------
 
 .. py:class:: PolynomialEnvelope(exponent: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Polynomial envelope function that ensures a smooth cutoff.
 
    :param exponent: Exponent of the envelope function.
    :type exponent: int
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: ExponentialEnvelope
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Exponential envelope function that ensures a smooth cutoff,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
    and Nonlocal Effects
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: SphericalBesselBasis(num_radial: int, cutoff: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1D spherical Bessel basis
 
    :param num_radial: Controls maximum frequency.
@@ -69,15 +67,15 @@ Classes
    :param cutoff: Cutoff distance in Angstrom.
    :type cutoff: float
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: BernsteinBasis(num_radial: int, pregamma_initial: float = 0.45264)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Bernstein polynomial basis,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
@@ -90,15 +88,15 @@ Classes
                             inverse softplus -> pregamma = log e**gamma - 1 = 0.45264
    :type pregamma_initial: float
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: RadialBasis(num_radial: int, cutoff: float, rbf: dict[str, str] | None = None, envelope: dict[str, str | int] | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    :param num_radial: Controls maximum frequency.
    :type num_radial: int
    :param cutoff: Cutoff distance in Angstrom.
@@ -108,7 +106,7 @@ Classes
    :param envelope: Envelope function and its hyperparameters.
    :type envelope: dict = {"name": "polynomial", "exponent": 5}
 
-   .. py:method:: forward(d)
 
+   .. py:method:: forward(d)
 
 
diff --git a/_sources/autoapi/core/models/gemnet/layers/spherical_basis/index.rst b/_sources/autoapi/core/models/gemnet/layers/spherical_basis/index.rst
index 1e8da62c6..b842cdbb4 100644
--- a/_sources/autoapi/core/models/gemnet/layers/spherical_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet/layers/spherical_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.layers.spherical_basis`
-===================================================
+core.models.gemnet.layers.spherical_basis
+=========================================
 
 .. py:module:: core.models.gemnet.layers.spherical_basis
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet.layers.spherical_basis.CircularBasisLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: CircularBasisLayer(num_spherical: int, radial_basis: core.models.gemnet.layers.radial_basis.RadialBasis, cbf, efficient: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    2D Fourier Bessel Basis
 
    :param num_spherical: Controls maximum frequency.
@@ -41,7 +39,7 @@ Classes
    :param efficient: Whether to use the "efficient" summation order
    :type efficient: bool
 
-   .. py:method:: forward(D_ca, cosφ_cab, id3_ca)
 
+   .. py:method:: forward(D_ca, cosφ_cab, id3_ca)
 
 
diff --git a/_sources/autoapi/core/models/gemnet/utils/index.rst b/_sources/autoapi/core/models/gemnet/utils/index.rst
index 9ef15740a..3fab38124 100644
--- a/_sources/autoapi/core/models/gemnet/utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet/utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet.utils`
-==================================
+core.models.gemnet.utils
+========================
 
 .. py:module:: core.models.gemnet.utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -32,19 +28,17 @@ Functions
    core.models.gemnet.utils.mask_neighbors
 
 
+Module Contents
+---------------
 
 .. py:function:: read_json(path: str)
 
-
 .. py:function:: update_json(path: str, data) -> None
 
-
 .. py:function:: write_json(path: str, data) -> None
 
-
 .. py:function:: read_value_json(path: str, key: str)
 
-
 .. py:function:: ragged_range(sizes: torch.Tensor) -> torch.Tensor
 
    Multiple concatenated ranges.
@@ -120,4 +114,3 @@ Functions
 
 .. py:function:: mask_neighbors(neighbors: torch.Tensor, edge_mask: torch.Tensor) -> torch.Tensor
 
-
diff --git a/_sources/autoapi/core/models/gemnet_gp/gemnet/index.rst b/_sources/autoapi/core/models/gemnet_gp/gemnet/index.rst
index 4152b8351..f994d5286 100644
--- a/_sources/autoapi/core/models/gemnet_gp/gemnet/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/gemnet/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.gemnet`
-======================================
+core.models.gemnet_gp.gemnet
+============================
 
 .. py:module:: core.models.gemnet_gp.gemnet
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_gp.gemnet.GraphParallelGemNetT
 
 
-
+Module Contents
+---------------
 
 .. py:class:: GraphParallelGemNetT(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, regress_forces: bool = True, direct_forces: bool = False, cutoff: float = 6.0, max_neighbors: int = 50, rbf: dict | None = None, envelope: dict | None = None, cbf: dict | None = None, extensive: bool = True, otf_graph: bool = False, use_pbc: bool = True, output_init: str = 'HeOrthogonal', activation: str = 'swish', scale_num_blocks: bool = False, scatter_atoms: bool = True, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    GemNet-T, triplets-only variant of GemNet
 
    :param num_atoms (int):
@@ -86,8 +84,6 @@ Classes
    :param scale_file: Path to the json file containing the scaling factors.
    :type scale_file: str
 
-   .. py:property:: num_params
-
 
    .. py:method:: get_triplets(edge_index, num_atoms)
 
@@ -99,6 +95,7 @@ Classes
                 * **id3_ragged_idx** (*torch.Tensor, shape (num_triplets,)*) -- Indices enumerating the copies of id3_ca for creating a padded matrix
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask, reorder_idx, inverse_neg) -> torch.Tensor
 
 
@@ -115,6 +112,7 @@ Classes
       But this does not seem worth it.
 
 
+
    .. py:method:: select_edges(data, edge_index, cell_offsets, neighbors, edge_dist, edge_vector, cutoff=None)
 
 
@@ -124,4 +122,6 @@ Classes
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/index.rst b/_sources/autoapi/core/models/gemnet_gp/index.rst
index 7b9a08caf..b41eb5aac 100644
--- a/_sources/autoapi/core/models/gemnet_gp/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/index.rst
@@ -1,47 +1,45 @@
-:py:mod:`core.models.gemnet_gp`
-===============================
+core.models.gemnet_gp
+=====================
 
 .. py:module:: core.models.gemnet_gp
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   layers/index.rst
+   /autoapi/core/models/gemnet_gp/layers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   gemnet/index.rst
-   initializers/index.rst
-   utils/index.rst
+   /autoapi/core/models/gemnet_gp/gemnet/index
+   /autoapi/core/models/gemnet_gp/initializers/index
+   /autoapi/core/models/gemnet_gp/utils/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_gp.GraphParallelGemNetT
 
 
-
+Package Contents
+----------------
 
 .. py:class:: GraphParallelGemNetT(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, regress_forces: bool = True, direct_forces: bool = False, cutoff: float = 6.0, max_neighbors: int = 50, rbf: dict | None = None, envelope: dict | None = None, cbf: dict | None = None, extensive: bool = True, otf_graph: bool = False, use_pbc: bool = True, output_init: str = 'HeOrthogonal', activation: str = 'swish', scale_num_blocks: bool = False, scatter_atoms: bool = True, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    GemNet-T, triplets-only variant of GemNet
 
    :param num_atoms (int):
@@ -98,8 +96,6 @@ Classes
    :param scale_file: Path to the json file containing the scaling factors.
    :type scale_file: str
 
-   .. py:property:: num_params
-
 
    .. py:method:: get_triplets(edge_index, num_atoms)
 
@@ -111,6 +107,7 @@ Classes
                 * **id3_ragged_idx** (*torch.Tensor, shape (num_triplets,)*) -- Indices enumerating the copies of id3_ca for creating a padded matrix
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask, reorder_idx, inverse_neg) -> torch.Tensor
 
 
@@ -127,6 +124,7 @@ Classes
       But this does not seem worth it.
 
 
+
    .. py:method:: select_edges(data, edge_index, cell_offsets, neighbors, edge_dist, edge_vector, cutoff=None)
 
 
@@ -136,4 +134,6 @@ Classes
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/initializers/index.rst b/_sources/autoapi/core/models/gemnet_gp/initializers/index.rst
index aa83f068c..3b56492ac 100644
--- a/_sources/autoapi/core/models/gemnet_gp/initializers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/initializers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.initializers`
-============================================
+core.models.gemnet_gp.initializers
+==================================
 
 .. py:module:: core.models.gemnet_gp.initializers
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,6 +21,8 @@ Functions
    core.models.gemnet_gp.initializers.he_orthogonal_init
 
 
+Module Contents
+---------------
 
 .. py:function:: _standardize(kernel)
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/atom_update_block/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/atom_update_block/index.rst
index d8002d861..eff4ac32b 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/atom_update_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/atom_update_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.atom_update_block`
-========================================================
+core.models.gemnet_gp.layers.atom_update_block
+==============================================
 
 .. py:module:: core.models.gemnet_gp.layers.atom_update_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,15 +21,16 @@ Classes
    core.models.gemnet_gp.layers.atom_update_block.OutputBlock
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.models.gemnet_gp.layers.atom_update_block.scatter_sum
 
 
+Module Contents
+---------------
 
 .. py:function:: scatter_sum(src: torch.Tensor, index: torch.Tensor, dim: int = -1, out: torch.Tensor | None = None, dim_size: int | None = None) -> torch.Tensor
 
@@ -41,9 +39,9 @@ Functions
 
 .. py:class:: AtomUpdateBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, activation: str | None = None, name: str = 'atom_update')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Aggregate the message embeddings of the atoms
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -55,6 +53,7 @@ Functions
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: callable/str
 
+
    .. py:method:: get_mlp(units_in: int, units: int, nHidden: int, activation: str | None)
 
 
@@ -67,9 +66,9 @@ Functions
 
 .. py:class:: OutputBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, num_targets: int, activation: str | None = None, direct_forces: bool = True, output_init: str = 'HeOrthogonal', name: str = 'output', **kwargs)
 
-
    Bases: :py:obj:`AtomUpdateBlock`
 
+
    Combines the atom update block and subsequent final dense layer.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -87,20 +86,18 @@ Functions
    :param output_init: Kernel initializer of the final dense layer.
    :type output_init: int
 
+
    .. py:attribute:: dense_rbf_F
-      :type: core.models.gemnet_gp.layers.base_layers.Dense
+      :type:  core.models.gemnet_gp.layers.base_layers.Dense
 
-      
 
    .. py:attribute:: out_forces
-      :type: core.models.gemnet_gp.layers.base_layers.Dense
+      :type:  core.models.gemnet_gp.layers.base_layers.Dense
 
-      
 
    .. py:attribute:: out_energy
-      :type: core.models.gemnet_gp.layers.base_layers.Dense
+      :type:  core.models.gemnet_gp.layers.base_layers.Dense
 
-      
 
    .. py:method:: reset_parameters() -> None
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/base_layers/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/base_layers/index.rst
index fc2d8f9ed..108149683 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/base_layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/base_layers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.base_layers`
-==================================================
+core.models.gemnet_gp.layers.base_layers
+========================================
 
 .. py:module:: core.models.gemnet_gp.layers.base_layers
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,13 +23,14 @@ Classes
    core.models.gemnet_gp.layers.base_layers.ResidualLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Dense(num_in_features: int, num_out_features: int, bias: bool = False, activation: str | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Combines dense layer with scaling for swish activation.
 
    :param units: Output embedding size.
@@ -42,18 +40,18 @@ Classes
    :param bias: True if use bias.
    :type bias: bool
 
+
    .. py:method:: reset_parameters(initializer=he_orthogonal_init) -> None
 
 
    .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
-
 .. py:class:: ScaledSiLU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -85,15 +83,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: SiQU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -125,15 +123,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: ResidualLayer(units: int, nLayers: int = 2, layer=Dense, **layer_kwargs)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Residual block with output scaled by 1/sqrt(2).
 
    :param units: Output embedding size.
@@ -143,7 +141,7 @@ Classes
    :param layer_kwargs: Keyword arguments for initializing the layers.
    :type layer_kwargs: str
 
-   .. py:method:: forward(input: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(input: torch.Tensor) -> torch.Tensor
 
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/basis_utils/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/basis_utils/index.rst
index 2de46d705..299476283 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/basis_utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/basis_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.basis_utils`
-==================================================
+core.models.gemnet_gp.layers.basis_utils
+========================================
 
 .. py:module:: core.models.gemnet_gp.layers.basis_utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -30,6 +26,8 @@ Functions
    core.models.gemnet_gp.layers.basis_utils.real_sph_harm
 
 
+Module Contents
+---------------
 
 .. py:function:: Jn(r: float, n: int)
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/efficient/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/efficient/index.rst
index e704ea672..c4c4fc4ac 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/efficient/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/efficient/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.efficient`
-================================================
+core.models.gemnet_gp.layers.efficient
+======================================
 
 .. py:module:: core.models.gemnet_gp.layers.efficient
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear
 
 
-
+Module Contents
+---------------
 
 .. py:class:: EfficientInteractionDownProjection(num_spherical: int, num_radial: int, emb_size_interm: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Down projection in the efficient reformulation.
 
    :param emb_size_interm: Intermediate embedding size (down-projection size).
@@ -38,6 +36,7 @@ Classes
    :param kernel_initializer: Initializer of the weight matrix.
    :type kernel_initializer: callable
 
+
    .. py:method:: reset_parameters() -> None
 
 
@@ -57,9 +56,9 @@ Classes
 
 .. py:class:: EfficientInteractionBilinear(emb_size: int, emb_size_interm: int, units_out: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Efficient reformulation of the bilinear layer and subsequent summation.
 
    :param units_out: Embedding output size of the bilinear layer.
@@ -67,6 +66,7 @@ Classes
    :param kernel_initializer: Initializer of the weight matrix.
    :type kernel_initializer: callable
 
+
    .. py:method:: reset_parameters() -> None
 
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/embedding_block/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/embedding_block/index.rst
index cf3c40c84..611592f92 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/embedding_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/embedding_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.embedding_block`
-======================================================
+core.models.gemnet_gp.layers.embedding_block
+============================================
 
 .. py:module:: core.models.gemnet_gp.layers.embedding_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,18 +21,20 @@ Classes
    core.models.gemnet_gp.layers.embedding_block.EdgeEmbedding
 
 
-
+Module Contents
+---------------
 
 .. py:class:: AtomEmbedding(emb_size: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Initial atom embeddings based on the atom type
 
    :param emb_size: Atom embeddings size
    :type emb_size: int
 
+
    .. py:method:: forward(Z) -> torch.Tensor
 
       :returns: **h** -- Atom embeddings.
@@ -45,9 +44,9 @@ Classes
 
 .. py:class:: EdgeEmbedding(atom_features: int, edge_features: int, num_out_features: int, activation: str | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Edge embedding based on the concatenation of atom embeddings and subsequent dense layer.
 
    :param emb_size: Embedding size after the dense layer.
@@ -55,6 +54,7 @@ Classes
    :param activation: Activation function used in the dense layer.
    :type activation: str
 
+
    .. py:method:: forward(h, m_rbf, idx_s, idx_t) -> torch.Tensor
 
       :param h:
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/index.rst
index 395fb489d..63632755b 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/index.rst
@@ -1,22 +1,22 @@
-:py:mod:`core.models.gemnet_gp.layers`
-======================================
+core.models.gemnet_gp.layers
+============================
 
 .. py:module:: core.models.gemnet_gp.layers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   atom_update_block/index.rst
-   base_layers/index.rst
-   basis_utils/index.rst
-   efficient/index.rst
-   embedding_block/index.rst
-   interaction_block/index.rst
-   radial_basis/index.rst
-   spherical_basis/index.rst
+   /autoapi/core/models/gemnet_gp/layers/atom_update_block/index
+   /autoapi/core/models/gemnet_gp/layers/base_layers/index
+   /autoapi/core/models/gemnet_gp/layers/basis_utils/index
+   /autoapi/core/models/gemnet_gp/layers/efficient/index
+   /autoapi/core/models/gemnet_gp/layers/embedding_block/index
+   /autoapi/core/models/gemnet_gp/layers/interaction_block/index
+   /autoapi/core/models/gemnet_gp/layers/radial_basis/index
+   /autoapi/core/models/gemnet_gp/layers/spherical_basis/index
 
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/interaction_block/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/interaction_block/index.rst
index 0402cc5c9..3521b74f2 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/interaction_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/interaction_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.interaction_block`
-========================================================
+core.models.gemnet_gp.layers.interaction_block
+==============================================
 
 .. py:module:: core.models.gemnet_gp.layers.interaction_block
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet_gp.layers.interaction_block.TripletInteraction
 
 
-
+Module Contents
+---------------
 
 .. py:class:: InteractionBlockTripletsOnly(emb_size_atom: int, emb_size_edge: int, emb_size_trip: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_bil_trip: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, activation: str | None = None, name: str = 'Interaction')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Interaction block for GemNet-T/dT.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -56,6 +54,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers except for the final dense layer.
    :type activation: str
 
+
    .. py:method:: forward(h: torch.Tensor, m: torch.Tensor, rbf3, cbf3, id3_ragged_idx, id_swap, id3_ba, id3_ca, rbf_h, idx_s, idx_t, edge_offset, Kmax, nAtoms)
 
       :returns: * **h** (*torch.Tensor, shape=(nEdges, emb_size_atom)*) -- Atom embeddings.
@@ -68,9 +67,9 @@ Classes
 
 .. py:class:: TripletInteraction(emb_size_edge: int, emb_size_trip: int, emb_size_bilinear: int, emb_size_rbf: int, emb_size_cbf: int, activation: str | None = None, name: str = 'TripletInteraction', **kwargs)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Triplet-based message passing block.
 
    :param emb_size_edge: Embedding size of the edges.
@@ -86,6 +85,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers except for the final dense layer.
    :type activation: str
 
+
    .. py:method:: forward(m: torch.Tensor, rbf3, cbf3, id3_ragged_idx, id_swap, id3_ba, id3_ca, edge_offset, Kmax)
 
       :returns: **m** -- Edge embeddings (c->a).
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/radial_basis/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/radial_basis/index.rst
index 73236d7f6..c0b2cf841 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/radial_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/radial_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.radial_basis`
-===================================================
+core.models.gemnet_gp.layers.radial_basis
+=========================================
 
 .. py:module:: core.models.gemnet_gp.layers.radial_basis
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,41 +24,42 @@ Classes
    core.models.gemnet_gp.layers.radial_basis.RadialBasis
 
 
-
+Module Contents
+---------------
 
 .. py:class:: PolynomialEnvelope(exponent: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Polynomial envelope function that ensures a smooth cutoff.
 
    :param exponent: Exponent of the envelope function.
    :type exponent: int
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: ExponentialEnvelope
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Exponential envelope function that ensures a smooth cutoff,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
    and Nonlocal Effects
 
-   .. py:method:: forward(d_scaled) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled) -> torch.Tensor
 
 
 .. py:class:: SphericalBesselBasis(num_radial: int, cutoff: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    1D spherical Bessel basis
 
    :param num_radial: Controls maximum frequency.
@@ -69,15 +67,15 @@ Classes
    :param cutoff: Cutoff distance in Angstrom.
    :type cutoff: float
 
-   .. py:method:: forward(d_scaled)
 
+   .. py:method:: forward(d_scaled)
 
 
 .. py:class:: BernsteinBasis(num_radial: int, pregamma_initial: float = 0.45264)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Bernstein polynomial basis,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
@@ -90,15 +88,15 @@ Classes
                             inverse softplus -> pregamma = log e**gamma - 1 = 0.45264
    :type pregamma_initial: float
 
-   .. py:method:: forward(d_scaled) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled) -> torch.Tensor
 
 
 .. py:class:: RadialBasis(num_radial: int, cutoff: float, rbf: dict[str, str] | None = None, envelope: dict[str, str | int] | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    :param num_radial: Controls maximum frequency.
    :type num_radial: int
    :param cutoff: Cutoff distance in Angstrom.
@@ -108,7 +106,7 @@ Classes
    :param envelope: Envelope function and its hyperparameters.
    :type envelope: dict = {"name": "polynomial", "exponent": 5}
 
-   .. py:method:: forward(d)
 
+   .. py:method:: forward(d)
 
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/layers/spherical_basis/index.rst b/_sources/autoapi/core/models/gemnet_gp/layers/spherical_basis/index.rst
index 8820ed1b3..6e2a117a2 100644
--- a/_sources/autoapi/core/models/gemnet_gp/layers/spherical_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/layers/spherical_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.layers.spherical_basis`
-======================================================
+core.models.gemnet_gp.layers.spherical_basis
+============================================
 
 .. py:module:: core.models.gemnet_gp.layers.spherical_basis
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: CircularBasisLayer(num_spherical: int, radial_basis: core.models.gemnet_gp.layers.radial_basis.RadialBasis, cbf, efficient: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    2D Fourier Bessel Basis
 
    :param num_spherical: Controls maximum frequency.
@@ -41,7 +39,7 @@ Classes
    :param efficient: Whether to use the "efficient" summation order
    :type efficient: bool
 
-   .. py:method:: forward(D_ca, cosφ_cab, id3_ca)
 
+   .. py:method:: forward(D_ca, cosφ_cab, id3_ca)
 
 
diff --git a/_sources/autoapi/core/models/gemnet_gp/utils/index.rst b/_sources/autoapi/core/models/gemnet_gp/utils/index.rst
index 1ba511bda..7d5275364 100644
--- a/_sources/autoapi/core/models/gemnet_gp/utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet_gp/utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_gp.utils`
-=====================================
+core.models.gemnet_gp.utils
+===========================
 
 .. py:module:: core.models.gemnet_gp.utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -32,19 +28,17 @@ Functions
    core.models.gemnet_gp.utils.mask_neighbors
 
 
+Module Contents
+---------------
 
 .. py:function:: read_json(path: str)
 
-
 .. py:function:: update_json(path: str, data) -> None
 
-
 .. py:function:: write_json(path: str, data) -> None
 
-
 .. py:function:: read_value_json(path: str, key)
 
-
 .. py:function:: ragged_range(sizes)
 
    Multiple concatenated ranges.
@@ -120,4 +114,3 @@ Functions
 
 .. py:function:: mask_neighbors(neighbors: torch.Tensor, edge_mask: torch.Tensor)
 
-
diff --git a/_sources/autoapi/core/models/gemnet_oc/gemnet_oc/index.rst b/_sources/autoapi/core/models/gemnet_oc/gemnet_oc/index.rst
index f6c1eeb67..ba03b6997 100644
--- a/_sources/autoapi/core/models/gemnet_oc/gemnet_oc/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/gemnet_oc/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.gemnet_oc`
-=========================================
+core.models.gemnet_oc.gemnet_oc
+===============================
 
 .. py:module:: core.models.gemnet_oc.gemnet_oc
 
@@ -11,24 +11,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_oc.gemnet_oc.GemNetOC
 
 
-
+Module Contents
+---------------
 
 .. py:class:: GemNetOC(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip_in: int, emb_size_trip_out: int, emb_size_quad_in: int, emb_size_quad_out: int, emb_size_aint_in: int, emb_size_aint_out: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_sbf: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, num_output_afteratom: int, num_atom_emb_layers: int = 0, num_global_out_layers: int = 2, regress_forces: bool = True, direct_forces: bool = False, use_pbc: bool = True, scale_backprop_forces: bool = False, cutoff: float = 6.0, cutoff_qint: float | None = None, cutoff_aeaint: float | None = None, cutoff_aint: float | None = None, max_neighbors: int = 50, max_neighbors_qint: int | None = None, max_neighbors_aeaint: int | None = None, max_neighbors_aint: int | None = None, enforce_max_neighbors_strictly: bool = True, rbf: dict[str, str] | None = None, rbf_spherical: dict | None = None, envelope: dict[str, str | int] | None = None, cbf: dict[str, str] | None = None, sbf: dict[str, str] | None = None, extensive: bool = True, forces_coupled: bool = False, output_init: str = 'HeOrthogonal', activation: str = 'silu', quad_interaction: bool = False, atom_edge_interaction: bool = False, edge_atom_interaction: bool = False, atom_interaction: bool = False, scale_basis: bool = False, qint_tags: list | None = None, num_elements: int = 83, otf_graph: bool = False, scale_file: str | None = None, **kwargs)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    :param num_atoms (int):
    :type num_atoms (int): Unused argument
    :param bond_feat_dim (int):
@@ -154,9 +152,6 @@ Classes
                      0=sub-surface bulk, 1=surface, 2=adsorbate atoms.
    :type qint_tags: list
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: set_cutoffs(cutoff, cutoff_qint, cutoff_aeaint, cutoff_aint)
 
@@ -187,6 +182,7 @@ Classes
                 * **angle_cabd** (*Tensor, shape = (num_quadruplets,)*) -- Dihedral angle between atoms c <- a-b -> d.
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask: torch.Tensor, reorder_idx: torch.Tensor, opposite_neg) -> torch.Tensor
 
       Use a mask to remove values of removed edges and then
@@ -207,6 +203,7 @@ Classes
       :rtype: torch.Tensor
 
 
+
    .. py:method:: symmetrize_edges(graph, batch_idx)
 
       Symmetrize edges to ensure existence of counter-directional edges.
@@ -217,33 +214,43 @@ Classes
       and add others by making it symmetric.
 
 
+
    .. py:method:: subselect_edges(data, graph, cutoff=None, max_neighbors=None)
 
       Subselect edges using a stricter cutoff and max_neighbors.
 
 
+
    .. py:method:: generate_graph_dict(data, cutoff, max_neighbors)
 
       Generate a radius/nearest neighbor graph.
 
 
+
    .. py:method:: subselect_graph(data, graph, cutoff, max_neighbors, cutoff_orig, max_neighbors_orig)
 
       If the new cutoff and max_neighbors is different from the original,
       subselect the edges of a given graph.
 
 
+
    .. py:method:: get_graphs_and_indices(data)
 
       "Generate embedding and interaction graphs and indices.
 
 
+
    .. py:method:: get_bases(main_graph, a2a_graph, a2ee2a_graph, qint_graph, trip_idx_e2e, trip_idx_a2e, trip_idx_e2a, quad_idx, num_atoms)
 
       Calculate and transform basis functions.
 
 
+
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/index.rst b/_sources/autoapi/core/models/gemnet_oc/index.rst
index a49ad327a..e5bcf33ef 100644
--- a/_sources/autoapi/core/models/gemnet_oc/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/index.rst
@@ -1,48 +1,46 @@
-:py:mod:`core.models.gemnet_oc`
-===============================
+core.models.gemnet_oc
+=====================
 
 .. py:module:: core.models.gemnet_oc
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   layers/index.rst
+   /autoapi/core/models/gemnet_oc/layers/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   gemnet_oc/index.rst
-   initializers/index.rst
-   interaction_indices/index.rst
-   utils/index.rst
+   /autoapi/core/models/gemnet_oc/gemnet_oc/index
+   /autoapi/core/models/gemnet_oc/initializers/index
+   /autoapi/core/models/gemnet_oc/interaction_indices/index
+   /autoapi/core/models/gemnet_oc/utils/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_oc.GemNetOC
 
 
-
+Package Contents
+----------------
 
 .. py:class:: GemNetOC(num_atoms: int | None, bond_feat_dim: int, num_targets: int, num_spherical: int, num_radial: int, num_blocks: int, emb_size_atom: int, emb_size_edge: int, emb_size_trip_in: int, emb_size_trip_out: int, emb_size_quad_in: int, emb_size_quad_out: int, emb_size_aint_in: int, emb_size_aint_out: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_sbf: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, num_output_afteratom: int, num_atom_emb_layers: int = 0, num_global_out_layers: int = 2, regress_forces: bool = True, direct_forces: bool = False, use_pbc: bool = True, scale_backprop_forces: bool = False, cutoff: float = 6.0, cutoff_qint: float | None = None, cutoff_aeaint: float | None = None, cutoff_aint: float | None = None, max_neighbors: int = 50, max_neighbors_qint: int | None = None, max_neighbors_aeaint: int | None = None, max_neighbors_aint: int | None = None, enforce_max_neighbors_strictly: bool = True, rbf: dict[str, str] | None = None, rbf_spherical: dict | None = None, envelope: dict[str, str | int] | None = None, cbf: dict[str, str] | None = None, sbf: dict[str, str] | None = None, extensive: bool = True, forces_coupled: bool = False, output_init: str = 'HeOrthogonal', activation: str = 'silu', quad_interaction: bool = False, atom_edge_interaction: bool = False, edge_atom_interaction: bool = False, atom_interaction: bool = False, scale_basis: bool = False, qint_tags: list | None = None, num_elements: int = 83, otf_graph: bool = False, scale_file: str | None = None, **kwargs)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    :param num_atoms (int):
    :type num_atoms (int): Unused argument
    :param bond_feat_dim (int):
@@ -168,9 +166,6 @@ Classes
                      0=sub-surface bulk, 1=surface, 2=adsorbate atoms.
    :type qint_tags: list
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: set_cutoffs(cutoff, cutoff_qint, cutoff_aeaint, cutoff_aint)
 
@@ -201,6 +196,7 @@ Classes
                 * **angle_cabd** (*Tensor, shape = (num_quadruplets,)*) -- Dihedral angle between atoms c <- a-b -> d.
 
 
+
    .. py:method:: select_symmetric_edges(tensor: torch.Tensor, mask: torch.Tensor, reorder_idx: torch.Tensor, opposite_neg) -> torch.Tensor
 
       Use a mask to remove values of removed edges and then
@@ -221,6 +217,7 @@ Classes
       :rtype: torch.Tensor
 
 
+
    .. py:method:: symmetrize_edges(graph, batch_idx)
 
       Symmetrize edges to ensure existence of counter-directional edges.
@@ -231,33 +228,43 @@ Classes
       and add others by making it symmetric.
 
 
+
    .. py:method:: subselect_edges(data, graph, cutoff=None, max_neighbors=None)
 
       Subselect edges using a stricter cutoff and max_neighbors.
 
 
+
    .. py:method:: generate_graph_dict(data, cutoff, max_neighbors)
 
       Generate a radius/nearest neighbor graph.
 
 
+
    .. py:method:: subselect_graph(data, graph, cutoff, max_neighbors, cutoff_orig, max_neighbors_orig)
 
       If the new cutoff and max_neighbors is different from the original,
       subselect the edges of a given graph.
 
 
+
    .. py:method:: get_graphs_and_indices(data)
 
       "Generate embedding and interaction graphs and indices.
 
 
+
    .. py:method:: get_bases(main_graph, a2a_graph, a2ee2a_graph, qint_graph, trip_idx_e2e, trip_idx_a2e, trip_idx_e2a, quad_idx, num_atoms)
 
       Calculate and transform basis functions.
 
 
+
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/initializers/index.rst b/_sources/autoapi/core/models/gemnet_oc/initializers/index.rst
index 00c3376fe..f3faf7d02 100644
--- a/_sources/autoapi/core/models/gemnet_oc/initializers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/initializers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.initializers`
-============================================
+core.models.gemnet_oc.initializers
+==================================
 
 .. py:module:: core.models.gemnet_oc.initializers
 
@@ -11,12 +11,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -27,6 +23,8 @@ Functions
    core.models.gemnet_oc.initializers.get_initializer
 
 
+Module Contents
+---------------
 
 .. py:function:: _standardize(kernel)
 
@@ -55,4 +53,3 @@ Functions
 
 .. py:function:: get_initializer(name, **init_kwargs)
 
-
diff --git a/_sources/autoapi/core/models/gemnet_oc/interaction_indices/index.rst b/_sources/autoapi/core/models/gemnet_oc/interaction_indices/index.rst
index 817102579..5b0992429 100644
--- a/_sources/autoapi/core/models/gemnet_oc/interaction_indices/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/interaction_indices/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.interaction_indices`
-===================================================
+core.models.gemnet_oc.interaction_indices
+=========================================
 
 .. py:module:: core.models.gemnet_oc.interaction_indices
 
@@ -11,12 +11,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,6 +21,8 @@ Functions
    core.models.gemnet_oc.interaction_indices.get_quadruplets
 
 
+Module Contents
+---------------
 
 .. py:function:: get_triplets(graph, num_atoms: int)
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.rst
index 27bcd5daf..51a972e96 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.atom_update_block`
-========================================================
+core.models.gemnet_oc.layers.atom_update_block
+==============================================
 
 .. py:module:: core.models.gemnet_oc.layers.atom_update_block
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -23,13 +20,14 @@ Classes
    core.models.gemnet_oc.layers.atom_update_block.OutputBlock
 
 
-
+Module Contents
+---------------
 
 .. py:class:: AtomUpdateBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Aggregate the message embeddings of the atoms
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -43,6 +41,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: callable/str
 
+
    .. py:method:: get_mlp(units_in: int, units: int, nHidden: int, activation)
 
 
@@ -55,9 +54,9 @@ Classes
 
 .. py:class:: OutputBlock(emb_size_atom: int, emb_size_edge: int, emb_size_rbf: int, nHidden: int, nHidden_afteratom: int, activation: str | None = None, direct_forces: bool = True)
 
-
    Bases: :py:obj:`AtomUpdateBlock`
 
+
    Combines the atom update block and subsequent final dense layer.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -76,6 +75,7 @@ Classes
                          of the energy potential.
    :type direct_forces: bool
 
+
    .. py:method:: forward(h: torch.Tensor, m: torch.Tensor, basis_rad, idx_atom)
 
       :returns: * *torch.Tensor, shape=(nAtoms, emb_size_atom)* -- Output atom embeddings.
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/base_layers/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/base_layers/index.rst
index 999181d51..88c9e018a 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/base_layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/base_layers/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.base_layers`
-==================================================
+core.models.gemnet_oc.layers.base_layers
+========================================
 
 .. py:module:: core.models.gemnet_oc.layers.base_layers
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -24,13 +21,14 @@ Classes
    core.models.gemnet_oc.layers.base_layers.ResidualLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Dense(in_features: int, out_features: int, bias: bool = False, activation: str | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Combines dense layer with scaling for silu activation.
 
    :param in_features: Input embedding size.
@@ -42,18 +40,18 @@ Classes
    :param activation: Name of the activation function to use.
    :type activation: str
 
+
    .. py:method:: reset_parameters(initializer=he_orthogonal_init) -> None
 
 
    .. py:method:: forward(x)
 
 
-
 .. py:class:: ScaledSiLU
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -85,15 +83,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x)
 
+   .. py:method:: forward(x)
 
 
 .. py:class:: ResidualLayer(units: int, nLayers: int = 2, layer=Dense, **layer_kwargs)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Residual block with output scaled by 1/sqrt(2).
 
    :param units: Input and output embedding size.
@@ -105,7 +103,7 @@ Classes
    :param layer_kwargs: Keyword arguments for initializing the layers.
    :type layer_kwargs: str
 
-   .. py:method:: forward(input)
 
+   .. py:method:: forward(input)
 
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/basis_utils/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/basis_utils/index.rst
index a725a8538..ebca8d815 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/basis_utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/basis_utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.basis_utils`
-==================================================
+core.models.gemnet_oc.layers.basis_utils
+========================================
 
 .. py:module:: core.models.gemnet_oc.layers.basis_utils
 
@@ -11,12 +11,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -30,6 +26,8 @@ Functions
    core.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis
 
 
+Module Contents
+---------------
 
 .. py:function:: Jn(r: float, n: int)
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/efficient/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/efficient/index.rst
index 9ba029e8a..e9790b9cf 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/efficient/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/efficient/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.efficient`
-================================================
+core.models.gemnet_oc.layers.efficient
+======================================
 
 .. py:module:: core.models.gemnet_oc.layers.efficient
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -23,13 +20,14 @@ Classes
    core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear
 
 
-
+Module Contents
+---------------
 
 .. py:class:: BasisEmbedding(num_radial: int, emb_size_interm: int, num_spherical: int | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Embed a basis (CBF, SBF), optionally using the efficient reformulation.
 
    :param num_radial: Number of radial basis functions.
@@ -40,10 +38,10 @@ Classes
                          Only required if there is a circular/spherical basis.
    :type num_spherical: int
 
+
    .. py:attribute:: weight
-      :type: torch.nn.Parameter
+      :type:  torch.nn.Parameter
 
-      
 
    .. py:method:: reset_parameters() -> None
 
@@ -77,9 +75,9 @@ Classes
 
 .. py:class:: EfficientInteractionBilinear(emb_size_in: int, emb_size_interm: int, emb_size_out: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Efficient reformulation of the bilinear layer and subsequent summation.
 
    :param emb_size_in: Embedding size of input triplets/quadruplets.
@@ -89,6 +87,7 @@ Classes
    :param emb_size_out: Embedding size of output triplets/quadruplets.
    :type emb_size_out: int
 
+
    .. py:method:: forward(basis, m, idx_agg_outer, idx_agg_inner, idx_agg2_outer=None, idx_agg2_inner=None, agg2_out_size=None)
 
       :param basis:
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/embedding_block/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/embedding_block/index.rst
index e448091e5..e62bd6761 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/embedding_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/embedding_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.embedding_block`
-======================================================
+core.models.gemnet_oc.layers.embedding_block
+============================================
 
 .. py:module:: core.models.gemnet_oc.layers.embedding_block
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -23,18 +20,20 @@ Classes
    core.models.gemnet_oc.layers.embedding_block.EdgeEmbedding
 
 
-
+Module Contents
+---------------
 
 .. py:class:: AtomEmbedding(emb_size: int, num_elements: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Initial atom embeddings based on the atom type
 
    :param emb_size: Atom embeddings size
    :type emb_size: int
 
+
    .. py:method:: forward(Z) -> torch.Tensor
 
       :returns: **h** -- Atom embeddings.
@@ -44,9 +43,9 @@ Classes
 
 .. py:class:: EdgeEmbedding(atom_features: int, edge_features: int, out_features: int, activation: str | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Edge embedding based on the concatenation of atom embeddings
    and a subsequent dense layer.
 
@@ -59,6 +58,7 @@ Classes
    :param activation: Activation function used in the dense layer.
    :type activation: str
 
+
    .. py:method:: forward(h: torch.Tensor, m: torch.Tensor, edge_index) -> torch.Tensor
 
       :param h: Atom embeddings.
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/force_scaler/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/force_scaler/index.rst
index a8259ae3d..d4195994e 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/force_scaler/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/force_scaler/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.force_scaler`
-===================================================
+core.models.gemnet_oc.layers.force_scaler
+=========================================
 
 .. py:module:: core.models.gemnet_oc.layers.force_scaler
 
@@ -11,26 +11,24 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.gemnet_oc.layers.force_scaler.ForceScaler
 
 
-
+Module Contents
+---------------
 
 .. py:class:: ForceScaler(init_scale: float = 2.0**8, growth_factor: float = 2.0, backoff_factor: float = 0.5, growth_interval: int = 2000, max_force_iters: int = 50, enabled: bool = True)
 
-
    Scales up the energy and then scales down the forces
    to prevent NaNs and infs in calculations using AMP.
    Inspired by torch.cuda.amp.GradScaler.
 
+
    .. py:method:: scale(energy)
 
 
@@ -46,4 +44,3 @@ Classes
    .. py:method:: update() -> None
 
 
-
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/index.rst
index dd81c1a25..7cf0b7ce0 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/index.rst
@@ -1,23 +1,23 @@
-:py:mod:`core.models.gemnet_oc.layers`
-======================================
+core.models.gemnet_oc.layers
+============================
 
 .. py:module:: core.models.gemnet_oc.layers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   atom_update_block/index.rst
-   base_layers/index.rst
-   basis_utils/index.rst
-   efficient/index.rst
-   embedding_block/index.rst
-   force_scaler/index.rst
-   interaction_block/index.rst
-   radial_basis/index.rst
-   spherical_basis/index.rst
+   /autoapi/core/models/gemnet_oc/layers/atom_update_block/index
+   /autoapi/core/models/gemnet_oc/layers/base_layers/index
+   /autoapi/core/models/gemnet_oc/layers/basis_utils/index
+   /autoapi/core/models/gemnet_oc/layers/efficient/index
+   /autoapi/core/models/gemnet_oc/layers/embedding_block/index
+   /autoapi/core/models/gemnet_oc/layers/force_scaler/index
+   /autoapi/core/models/gemnet_oc/layers/interaction_block/index
+   /autoapi/core/models/gemnet_oc/layers/radial_basis/index
+   /autoapi/core/models/gemnet_oc/layers/spherical_basis/index
 
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/interaction_block/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/interaction_block/index.rst
index ae4052a88..a56317858 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/interaction_block/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/interaction_block/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.interaction_block`
-========================================================
+core.models.gemnet_oc.layers.interaction_block
+==============================================
 
 .. py:module:: core.models.gemnet_oc.layers.interaction_block
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -25,13 +22,14 @@ Classes
    core.models.gemnet_oc.layers.interaction_block.PairInteraction
 
 
-
+Module Contents
+---------------
 
 .. py:class:: InteractionBlock(emb_size_atom: int, emb_size_edge: int, emb_size_trip_in: int, emb_size_trip_out: int, emb_size_quad_in: int, emb_size_quad_out: int, emb_size_a2a_in: int, emb_size_a2a_out: int, emb_size_rbf: int, emb_size_cbf: int, emb_size_sbf: int, num_before_skip: int, num_after_skip: int, num_concat: int, num_atom: int, num_atom_emb_layers: int = 0, quad_interaction: bool = False, atom_edge_interaction: bool = False, edge_atom_interaction: bool = False, atom_interaction: bool = False, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Interaction block for GemNet-Q/dQ.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -81,6 +79,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: str
 
+
    .. py:method:: forward(h, m, bases_qint, bases_e2e, bases_a2e, bases_e2a, basis_a2a_rad, basis_atom_update, edge_index_main, a2ee2a_graph, a2a_graph, id_swap, trip_idx_e2e, trip_idx_a2e, trip_idx_e2a, quad_idx)
 
       :returns: * **h** (*torch.Tensor, shape=(nEdges, emb_size_atom)*) -- Atom embeddings.
@@ -90,9 +89,9 @@ Classes
 
 .. py:class:: QuadrupletInteraction(emb_size_edge, emb_size_quad_in, emb_size_quad_out, emb_size_rbf, emb_size_cbf, emb_size_sbf, symmetric_mp=True, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Quadruplet-based message passing block.
 
    :param emb_size_edge: Embedding size of the edges.
@@ -115,6 +114,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: str
 
+
    .. py:method:: forward(m, bases, idx, id_swap)
 
       :returns: **m** -- Edge embeddings (c->a).
@@ -124,9 +124,9 @@ Classes
 
 .. py:class:: TripletInteraction(emb_size_in: int, emb_size_out: int, emb_size_trip_in: int, emb_size_trip_out: int, emb_size_rbf: int, emb_size_cbf: int, symmetric_mp: bool = True, swap_output: bool = True, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Triplet-based message passing block.
 
    :param emb_size_in: Embedding size of the input embeddings.
@@ -152,6 +152,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: str
 
+
    .. py:method:: forward(m, bases, idx, id_swap, expand_idx=None, idx_agg2=None, idx_agg2_inner=None, agg2_out_size=None)
 
       :returns: **m** -- Edge embeddings.
@@ -161,9 +162,9 @@ Classes
 
 .. py:class:: PairInteraction(emb_size_atom, emb_size_pair_in, emb_size_pair_out, emb_size_rbf, activation=None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Pair-based message passing block.
 
    :param emb_size_atom: Embedding size of the atoms.
@@ -177,6 +178,7 @@ Classes
    :param activation: Name of the activation function to use in the dense layers.
    :type activation: str
 
+
    .. py:method:: forward(h, rad_basis, edge_index, target_neighbor_idx)
 
       :returns: **h** -- Atom embeddings.
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/radial_basis/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/radial_basis/index.rst
index faaa84b5e..de5b70861 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/radial_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/radial_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.radial_basis`
-===================================================
+core.models.gemnet_oc.layers.radial_basis
+=========================================
 
 .. py:module:: core.models.gemnet_oc.layers.radial_basis
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,41 +24,42 @@ Classes
    core.models.gemnet_oc.layers.radial_basis.RadialBasis
 
 
-
+Module Contents
+---------------
 
 .. py:class:: PolynomialEnvelope(exponent: int)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Polynomial envelope function that ensures a smooth cutoff.
 
    :param exponent: Exponent of the envelope function.
    :type exponent: int
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: ExponentialEnvelope
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Exponential envelope function that ensures a smooth cutoff,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
    and Nonlocal Effects
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: GaussianBasis(start: float = 0.0, stop: float = 5.0, num_gaussians: int = 50, trainable: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -93,15 +91,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(dist: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(dist: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: SphericalBesselBasis(num_radial: int, cutoff: float)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    First-order spherical Bessel basis
 
    :param num_radial: Number of basis functions. Controls the maximum frequency.
@@ -109,15 +107,15 @@ Classes
    :param cutoff: Cutoff distance in Angstrom.
    :type cutoff: float
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: BernsteinBasis(num_radial: int, pregamma_initial: float = 0.45264)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Bernstein polynomial basis,
    as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.
    SpookyNet: Learning Force Fields with Electronic Degrees of Freedom
@@ -130,15 +128,15 @@ Classes
                             inverse softplus -> pregamma = log e**gamma - 1 = 0.45264
    :type pregamma_initial: float
 
-   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d_scaled: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: RadialBasis(num_radial: int, cutoff: float, rbf: dict[str, str] | None = None, envelope: dict[str, str | int] | None = None, scale_basis: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    :param num_radial: Number of basis functions. Controls the maximum frequency.
    :type num_radial: int
    :param cutoff: Cutoff distance in Angstrom.
@@ -150,7 +148,7 @@ Classes
    :param scale_basis: Whether to scale the basis values for better numerical stability.
    :type scale_basis: bool
 
-   .. py:method:: forward(d: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(d: torch.Tensor) -> torch.Tensor
 
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/layers/spherical_basis/index.rst b/_sources/autoapi/core/models/gemnet_oc/layers/spherical_basis/index.rst
index ac7fddcb9..16f22a58c 100644
--- a/_sources/autoapi/core/models/gemnet_oc/layers/spherical_basis/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/layers/spherical_basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.layers.spherical_basis`
-======================================================
+core.models.gemnet_oc.layers.spherical_basis
+============================================
 
 .. py:module:: core.models.gemnet_oc.layers.spherical_basis
 
@@ -11,11 +11,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -23,13 +20,14 @@ Classes
    core.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: CircularBasisLayer(num_spherical: int, radial_basis: core.models.gemnet_oc.layers.radial_basis.RadialBasis, cbf: dict, scale_basis: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    2D Fourier Bessel Basis
 
    :param num_spherical: Number of basis functions. Controls the maximum frequency.
@@ -41,15 +39,15 @@ Classes
    :param scale_basis: Whether to scale the basis values for better numerical stability.
    :type scale_basis: bool
 
-   .. py:method:: forward(D_ca, cosφ_cab)
 
+   .. py:method:: forward(D_ca, cosφ_cab)
 
 
 .. py:class:: SphericalBasisLayer(num_spherical: int, radial_basis: core.models.gemnet_oc.layers.radial_basis.RadialBasis, sbf: dict, scale_basis: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    3D Fourier Bessel Basis
 
    :param num_spherical: Number of basis functions. Controls the maximum frequency.
@@ -61,7 +59,7 @@ Classes
    :param scale_basis: Whether to scale the basis values for better numerical stability.
    :type scale_basis: bool
 
-   .. py:method:: forward(D_ca, cosφ_cab, θ_cabd)
 
+   .. py:method:: forward(D_ca, cosφ_cab, θ_cabd)
 
 
diff --git a/_sources/autoapi/core/models/gemnet_oc/utils/index.rst b/_sources/autoapi/core/models/gemnet_oc/utils/index.rst
index a66317272..d6ff60800 100644
--- a/_sources/autoapi/core/models/gemnet_oc/utils/index.rst
+++ b/_sources/autoapi/core/models/gemnet_oc/utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.gemnet_oc.utils`
-=====================================
+core.models.gemnet_oc.utils
+===========================
 
 .. py:module:: core.models.gemnet_oc.utils
 
@@ -11,12 +11,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -34,6 +30,8 @@ Functions
    core.models.gemnet_oc.utils.get_edge_id
 
 
+Module Contents
+---------------
 
 .. py:function:: ragged_range(sizes)
 
@@ -80,7 +78,6 @@ Functions
 
 .. py:function:: masked_select_sparsetensor_flat(src, mask) -> torch_sparse.SparseTensor
 
-
 .. py:function:: calculate_interatomic_vectors(R, id_s, id_t, offsets_st)
 
    Calculate the vectors connecting the given atom pairs,
@@ -156,7 +153,6 @@ Functions
 
 .. py:function:: mask_neighbors(neighbors, edge_mask)
 
-
 .. py:function:: get_neighbor_order(num_atoms: int, index, atom_distance) -> torch.Tensor
 
    Give a mask that filters out edges so that each atom has at most
@@ -173,4 +169,3 @@ Functions
 
 .. py:function:: get_edge_id(edge_idx, cell_offsets, num_atoms: int)
 
-
diff --git a/_sources/autoapi/core/models/index.rst b/_sources/autoapi/core/models/index.rst
index 5a7aa67e7..70d41039c 100644
--- a/_sources/autoapi/core/models/index.rst
+++ b/_sources/autoapi/core/models/index.rst
@@ -1,61 +1,57 @@
-:py:mod:`core.models`
-=====================
+core.models
+===========
 
 .. py:module:: core.models
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   equiformer_v2/index.rst
-   escn/index.rst
-   gemnet/index.rst
-   gemnet_gp/index.rst
-   gemnet_oc/index.rst
-   painn/index.rst
-   scn/index.rst
-   utils/index.rst
+   /autoapi/core/models/equiformer_v2/index
+   /autoapi/core/models/escn/index
+   /autoapi/core/models/gemnet/index
+   /autoapi/core/models/gemnet_gp/index
+   /autoapi/core/models/gemnet_oc/index
+   /autoapi/core/models/painn/index
+   /autoapi/core/models/scn/index
+   /autoapi/core/models/utils/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   base/index.rst
-   dimenet_plus_plus/index.rst
-   model_registry/index.rst
-   schnet/index.rst
+   /autoapi/core/models/base/index
+   /autoapi/core/models/dimenet_plus_plus/index
+   /autoapi/core/models/model_registry/index
+   /autoapi/core/models/schnet/index
 
 
-Package Contents
-----------------
-
-
-Functions
-~~~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.models.model_name_to_local_file
-
+   core.models.available_pretrained_models
 
 
-Attributes
-~~~~~~~~~~
+Functions
+---------
 
 .. autoapisummary::
 
-   core.models.available_pretrained_models
+   core.models.model_name_to_local_file
 
 
-.. py:data:: available_pretrained_models
+Package Contents
+----------------
 
-   
+.. py:data:: available_pretrained_models
 
 .. py:function:: model_name_to_local_file(model_name: str, local_cache: str | pathlib.Path) -> str
 
diff --git a/_sources/autoapi/core/models/model_registry/index.rst b/_sources/autoapi/core/models/model_registry/index.rst
index 220b4ac26..9bc9a0118 100644
--- a/_sources/autoapi/core/models/model_registry/index.rst
+++ b/_sources/autoapi/core/models/model_registry/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.model_registry`
-====================================
+core.models.model_registry
+==========================
 
 .. py:module:: core.models.model_registry
 
@@ -12,36 +12,30 @@
 
 
 
-Module Contents
----------------
-
-
-Functions
-~~~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.models.model_registry.model_name_to_local_file
-
+   core.models.model_registry.MODEL_REGISTRY
+   core.models.model_registry.available_pretrained_models
 
 
-Attributes
-~~~~~~~~~~
+Functions
+---------
 
 .. autoapisummary::
 
-   core.models.model_registry.MODEL_REGISTRY
-   core.models.model_registry.available_pretrained_models
+   core.models.model_registry.model_name_to_local_file
 
 
-.. py:data:: MODEL_REGISTRY
+Module Contents
+---------------
 
-   
+.. py:data:: MODEL_REGISTRY
 
 .. py:data:: available_pretrained_models
 
-   
-
 .. py:function:: model_name_to_local_file(model_name: str, local_cache: str | pathlib.Path) -> str
 
    Download a pretrained checkpoint if it does not exist already
diff --git a/_sources/autoapi/core/models/painn/index.rst b/_sources/autoapi/core/models/painn/index.rst
index 82aa440a2..8461daa35 100644
--- a/_sources/autoapi/core/models/painn/index.rst
+++ b/_sources/autoapi/core/models/painn/index.rst
@@ -1,44 +1,39 @@
-:py:mod:`core.models.painn`
-===========================
+core.models.painn
+=================
 
 .. py:module:: core.models.painn
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   painn/index.rst
-   utils/index.rst
+   /autoapi/core/models/painn/painn/index
+   /autoapi/core/models/painn/utils/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.painn.PaiNN
 
 
-
+Package Contents
+----------------
 
 .. py:class:: PaiNN(num_atoms: int, bond_feat_dim: int, num_targets: int, hidden_channels: int = 512, num_layers: int = 6, num_rbf: int = 128, cutoff: float = 12.0, max_neighbors: int = 50, rbf: dict[str, str] | None = None, envelope: dict[str, str | int] | None = None, regress_forces: bool = True, direct_forces: bool = True, use_pbc: bool = True, otf_graph: bool = True, num_elements: int = 83, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    PaiNN model based on the description in Schütt et al. (2021):
    Equivariant message passing for the prediction of tensorial properties
    and molecular spectra, https://arxiv.org/abs/2102.03150.
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: reset_parameters() -> None
 
@@ -59,12 +54,18 @@ Classes
       we always use both directions.
 
 
+
    .. py:method:: generate_graph_values(data)
 
 
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
diff --git a/_sources/autoapi/core/models/painn/painn/index.rst b/_sources/autoapi/core/models/painn/painn/index.rst
index 12fe45835..151abaac4 100644
--- a/_sources/autoapi/core/models/painn/painn/index.rst
+++ b/_sources/autoapi/core/models/painn/painn/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.painn.painn`
-=================================
+core.models.painn.painn
+=======================
 
 .. py:module:: core.models.painn.painn
 
@@ -36,11 +36,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -51,20 +48,18 @@ Classes
    core.models.painn.painn.GatedEquivariantBlock
 
 
-
+Module Contents
+---------------
 
 .. py:class:: PaiNN(num_atoms: int, bond_feat_dim: int, num_targets: int, hidden_channels: int = 512, num_layers: int = 6, num_rbf: int = 128, cutoff: float = 12.0, max_neighbors: int = 50, rbf: dict[str, str] | None = None, envelope: dict[str, str | int] | None = None, regress_forces: bool = True, direct_forces: bool = True, use_pbc: bool = True, otf_graph: bool = True, num_elements: int = 83, scale_file: str | None = None)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    PaiNN model based on the description in Schütt et al. (2021):
    Equivariant message passing for the prediction of tensorial properties
    and molecular spectra, https://arxiv.org/abs/2102.03150.
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: reset_parameters() -> None
 
@@ -85,12 +80,18 @@ Classes
       we always use both directions.
 
 
+
    .. py:method:: generate_graph_values(data)
 
 
    .. py:method:: forward(data)
 
 
+   .. py:property:: num_params
+      :type: int
+
+
+
    .. py:method:: __repr__() -> str
 
       Return repr(self).
@@ -99,9 +100,9 @@ Classes
 
 .. py:class:: PaiNNMessage(hidden_channels, num_rbf)
 
-
    Bases: :py:obj:`torch_geometric.nn.MessagePassing`
 
+
    Base class for creating message passing layers of the form
 
    .. math::
@@ -164,16 +165,19 @@ Classes
                              true for execution speedups. (default: :obj:`1`)
    :type decomposed_layers: int, optional
 
+
    .. py:method:: reset_parameters() -> None
 
       Resets all learnable parameters of the module.
 
 
+
    .. py:method:: forward(x, vec, edge_index, edge_rbf, edge_vector)
 
       Runs the forward pass of the module.
 
 
+
    .. py:method:: message(xh_j, vec_j, rbfh_ij, r_ij)
 
       Constructs messages from node :math:`j` to node :math:`i`
@@ -186,6 +190,7 @@ Classes
       :obj:`_j` to the variable name, *.e.g.* :obj:`x_i` and :obj:`x_j`.
 
 
+
    .. py:method:: aggregate(features: tuple[torch.Tensor, torch.Tensor], index: torch.Tensor, dim_size: int) -> tuple[torch.Tensor, torch.Tensor]
 
       Aggregates messages from neighbors as
@@ -199,6 +204,7 @@ Classes
       as specified in :meth:`__init__` by the :obj:`aggr` argument.
 
 
+
    .. py:method:: update(inputs: tuple[torch.Tensor, torch.Tensor]) -> tuple[torch.Tensor, torch.Tensor]
 
       Updates node embeddings in analogy to
@@ -211,9 +217,9 @@ Classes
 
 .. py:class:: PaiNNUpdate(hidden_channels)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -245,18 +251,18 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: reset_parameters() -> None
 
 
    .. py:method:: forward(x, vec)
 
 
-
 .. py:class:: PaiNNOutput(hidden_channels)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -288,25 +294,25 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:method:: reset_parameters() -> None
 
 
    .. py:method:: forward(x, vec)
 
 
-
 .. py:class:: GatedEquivariantBlock(hidden_channels, out_channels)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Gated Equivariant Block as defined in Schütt et al. (2021):
    Equivariant message passing for the prediction of tensorial properties and molecular spectra
 
+
    .. py:method:: reset_parameters() -> None
 
 
    .. py:method:: forward(x, v)
 
 
-
diff --git a/_sources/autoapi/core/models/painn/utils/index.rst b/_sources/autoapi/core/models/painn/utils/index.rst
index c3722abaa..94fa95776 100644
--- a/_sources/autoapi/core/models/painn/utils/index.rst
+++ b/_sources/autoapi/core/models/painn/utils/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.painn.utils`
-=================================
+core.models.painn.utils
+=======================
 
 .. py:module:: core.models.painn.utils
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,6 +21,8 @@ Functions
    core.models.painn.utils.get_edge_id
 
 
+Module Contents
+---------------
 
 .. py:function:: repeat_blocks(sizes, repeats, continuous_indexing: bool = True, start_idx: int = 0, block_inc: int = 0, repeat_inc: int = 0) -> torch.Tensor
 
@@ -61,4 +59,3 @@ Functions
 
 .. py:function:: get_edge_id(edge_idx, cell_offsets, num_atoms: int)
 
-
diff --git a/_sources/autoapi/core/models/schnet/index.rst b/_sources/autoapi/core/models/schnet/index.rst
index bea77e4ed..c3ca27360 100644
--- a/_sources/autoapi/core/models/schnet/index.rst
+++ b/_sources/autoapi/core/models/schnet/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.schnet`
-============================
+core.models.schnet
+==================
 
 .. py:module:: core.models.schnet
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.schnet.SchNetWrap
 
 
-
+Module Contents
+---------------
 
 .. py:class:: SchNetWrap(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = False, hidden_channels: int = 128, num_filters: int = 128, num_interactions: int = 6, num_gaussians: int = 50, cutoff: float = 10.0, readout: str = 'add')
 
-
    Bases: :py:obj:`torch_geometric.nn.SchNet`, :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Wrapper around the continuous-filter convolutional neural network SchNet from the
    `"SchNet: A Continuous-filter Convolutional Neural Network for Modeling
    Quantum Interactions" <https://arxiv.org/abs/1706.08566>`_. Each layer uses interaction
@@ -74,9 +72,6 @@ Classes
                    :obj:`"mean"` global aggregation. (default: :obj:`"add"`)
    :type readout: string, optional
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:method:: _forward(data)
 
@@ -96,3 +91,8 @@ Classes
 
 
 
+   .. py:property:: num_params
+      :type: int
+
+
+
diff --git a/_sources/autoapi/core/models/scn/index.rst b/_sources/autoapi/core/models/scn/index.rst
index b5f2b61c0..c2b25df43 100644
--- a/_sources/autoapi/core/models/scn/index.rst
+++ b/_sources/autoapi/core/models/scn/index.rst
@@ -1,39 +1,37 @@
-:py:mod:`core.models.scn`
-=========================
+core.models.scn
+===============
 
 .. py:module:: core.models.scn
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   sampling/index.rst
-   scn/index.rst
-   smearing/index.rst
-   spherical_harmonics/index.rst
-
+   /autoapi/core/models/scn/sampling/index
+   /autoapi/core/models/scn/scn/index
+   /autoapi/core/models/scn/smearing/index
+   /autoapi/core/models/scn/spherical_harmonics/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.scn.SphericalChannelNetwork
 
 
-
+Package Contents
+----------------
 
 .. py:class:: SphericalChannelNetwork(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = False, max_num_neighbors: int = 20, cutoff: float = 8.0, max_num_elements: int = 90, num_interactions: int = 8, lmax: int = 6, mmax: int = 1, num_resolutions: int = 2, sphere_channels: int = 128, sphere_channels_reduce: int = 128, hidden_channels: int = 256, num_taps: int = -1, use_grid: bool = True, num_bands: int = 1, num_sphere_samples: int = 128, num_basis_functions: int = 128, distance_function: str = 'gaussian', basis_width_scalar: float = 1.0, distance_resolution: float = 0.02, show_timing_info: bool = False, direct_forces: bool = True)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Spherical Channel Network
    Paper: Spherical Channels for Modeling Atomic Interactions
 
@@ -82,39 +80,30 @@ Classes
    :param show_timing_info: Show timing and memory info
    :type show_timing_info: bool
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:attribute:: energy_fc1
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: energy_fc2
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: energy_fc3
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc1
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc2
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc3
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:method:: forward(data)
 
@@ -128,4 +117,8 @@ Classes
    .. py:method:: _rank_edge_distances(edge_distance, edge_index, max_num_neighbors: int) -> torch.Tensor
 
 
+   .. py:property:: num_params
+      :type: int
+
+
 
diff --git a/_sources/autoapi/core/models/scn/sampling/index.rst b/_sources/autoapi/core/models/scn/sampling/index.rst
index 6cd596fb3..0be918bbb 100644
--- a/_sources/autoapi/core/models/scn/sampling/index.rst
+++ b/_sources/autoapi/core/models/scn/sampling/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.scn.sampling`
-==================================
+core.models.scn.sampling
+========================
 
 .. py:module:: core.models.scn.sampling
 
@@ -12,12 +12,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,10 +21,10 @@ Functions
    core.models.scn.sampling.CalcSpherePointsRandom
 
 
+Module Contents
+---------------
 
 .. py:function:: CalcSpherePoints(num_points: int, device: str = 'cpu') -> torch.Tensor
 
-
 .. py:function:: CalcSpherePointsRandom(num_points: int, device) -> torch.Tensor
 
-
diff --git a/_sources/autoapi/core/models/scn/scn/index.rst b/_sources/autoapi/core/models/scn/scn/index.rst
index aa1235dcb..f48f2e0b6 100644
--- a/_sources/autoapi/core/models/scn/scn/index.rst
+++ b/_sources/autoapi/core/models/scn/scn/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.scn.scn`
-=============================
+core.models.scn.scn
+===================
 
 .. py:module:: core.models.scn.scn
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,13 +23,14 @@ Classes
    core.models.scn.scn.DistanceBlock
 
 
-
+Module Contents
+---------------
 
 .. py:class:: SphericalChannelNetwork(num_atoms: int, bond_feat_dim: int, num_targets: int, use_pbc: bool = True, regress_forces: bool = True, otf_graph: bool = False, max_num_neighbors: int = 20, cutoff: float = 8.0, max_num_elements: int = 90, num_interactions: int = 8, lmax: int = 6, mmax: int = 1, num_resolutions: int = 2, sphere_channels: int = 128, sphere_channels_reduce: int = 128, hidden_channels: int = 256, num_taps: int = -1, use_grid: bool = True, num_bands: int = 1, num_sphere_samples: int = 128, num_basis_functions: int = 128, distance_function: str = 'gaussian', basis_width_scalar: float = 1.0, distance_resolution: float = 0.02, show_timing_info: bool = False, direct_forces: bool = True)
 
-
    Bases: :py:obj:`fairchem.core.models.base.BaseModel`
 
+
    Spherical Channel Network
    Paper: Spherical Channels for Modeling Atomic Interactions
 
@@ -81,39 +79,30 @@ Classes
    :param show_timing_info: Show timing and memory info
    :type show_timing_info: bool
 
-   .. py:property:: num_params
-      :type: int
-
 
    .. py:attribute:: energy_fc1
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: energy_fc2
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: energy_fc3
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc1
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc2
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:attribute:: force_fc3
-      :type: torch.nn.Linear
+      :type:  torch.nn.Linear
 
-      
 
    .. py:method:: forward(data)
 
@@ -127,12 +116,16 @@ Classes
    .. py:method:: _rank_edge_distances(edge_distance, edge_index, max_num_neighbors: int) -> torch.Tensor
 
 
+   .. py:property:: num_params
+      :type: int
 
-.. py:class:: EdgeBlock(num_resolutions: int, sphere_channels_reduce, hidden_channels_list, cutoff_list, sphharm_list, sphere_channels, distance_expansion, max_num_elements: int, num_basis_functions: int, num_gaussians: int, use_grid: bool, act)
 
 
+.. py:class:: EdgeBlock(num_resolutions: int, sphere_channels_reduce, hidden_channels_list, cutoff_list, sphharm_list, sphere_channels, distance_expansion, max_num_elements: int, num_basis_functions: int, num_gaussians: int, use_grid: bool, act)
+
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -164,15 +157,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, cutoff_index)
 
+   .. py:method:: forward(x, atomic_numbers, edge_distance, edge_index, cutoff_index)
 
 
 .. py:class:: MessageBlock(sphere_channels_reduce, hidden_channels, num_basis_functions, sphharm, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -204,15 +197,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x, x_edge, edge_index)
 
+   .. py:method:: forward(x, x_edge, edge_index)
 
 
 .. py:class:: DistanceBlock(in_channels, num_basis_functions: int, distance_expansion, max_num_elements: int, act)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -244,7 +237,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(edge_distance, source_element, target_element)
 
+   .. py:method:: forward(edge_distance, source_element, target_element)
 
 
diff --git a/_sources/autoapi/core/models/scn/smearing/index.rst b/_sources/autoapi/core/models/scn/smearing/index.rst
index ce325292a..e6762b924 100644
--- a/_sources/autoapi/core/models/scn/smearing/index.rst
+++ b/_sources/autoapi/core/models/scn/smearing/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.scn.smearing`
-==================================
+core.models.scn.smearing
+========================
 
 .. py:module:: core.models.scn.smearing
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,13 +23,14 @@ Classes
    core.models.scn.smearing.SiLUSmearing
 
 
-
+Module Contents
+---------------
 
 .. py:class:: GaussianSmearing(start: float = -5.0, stop: float = 5.0, num_gaussians: int = 50, basis_width_scalar: float = 1.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -64,15 +62,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(dist) -> torch.Tensor
 
+   .. py:method:: forward(dist) -> torch.Tensor
 
 
 .. py:class:: SigmoidSmearing(start=-5.0, stop=5.0, num_sigmoid=50, basis_width_scalar=1.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -104,15 +102,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(dist) -> torch.Tensor
 
+   .. py:method:: forward(dist) -> torch.Tensor
 
 
 .. py:class:: LinearSigmoidSmearing(start: float = -5.0, stop: float = 5.0, num_sigmoid: int = 50, basis_width_scalar: float = 1.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -144,15 +142,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(dist) -> torch.Tensor
 
+   .. py:method:: forward(dist) -> torch.Tensor
 
 
 .. py:class:: SiLUSmearing(start: float = -5.0, stop: float = 5.0, num_output: int = 50, basis_width_scalar: float = 1.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -184,7 +182,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(dist)
 
+   .. py:method:: forward(dist)
 
 
diff --git a/_sources/autoapi/core/models/scn/spherical_harmonics/index.rst b/_sources/autoapi/core/models/scn/spherical_harmonics/index.rst
index b19697c1f..3a387b2a5 100644
--- a/_sources/autoapi/core/models/scn/spherical_harmonics/index.rst
+++ b/_sources/autoapi/core/models/scn/spherical_harmonics/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.scn.spherical_harmonics`
-=============================================
+core.models.scn.spherical_harmonics
+===================================
 
 .. py:module:: core.models.scn.spherical_harmonics
 
@@ -12,20 +12,24 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.models.scn.spherical_harmonics._Jd
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.scn.spherical_harmonics.SphericalHarmonicsHelper
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -33,22 +37,13 @@ Functions
    core.models.scn.spherical_harmonics._z_rot_mat
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.models.scn.spherical_harmonics._Jd
-
+Module Contents
+---------------
 
 .. py:data:: _Jd
 
-   
-
 .. py:class:: SphericalHarmonicsHelper(lmax: int, mmax: int, num_taps: int, num_bands: int)
 
-
    Helper functions for spherical harmonics calculations and representations
 
    :param lmax: Maximum degree of the spherical harmonics
@@ -60,6 +55,7 @@ Attributes
    :param num_bands: Number of bands used during message aggregation for the 1x1 pointwise convolution (1 or 2)
    :type num_bands: int
 
+
    .. py:method:: InitWignerDMatrix(edge_rot_mat) -> None
 
 
@@ -93,10 +89,7 @@ Attributes
    .. py:method:: RotationToWignerDMatrix(edge_rot_mat, start_lmax, end_lmax)
 
 
-
 .. py:function:: wigner_D(l, alpha, beta, gamma)
 
-
 .. py:function:: _z_rot_mat(angle, l)
 
-
diff --git a/_sources/autoapi/core/models/utils/activations/index.rst b/_sources/autoapi/core/models/utils/activations/index.rst
index 23d7855b6..07ea490fe 100644
--- a/_sources/autoapi/core/models/utils/activations/index.rst
+++ b/_sources/autoapi/core/models/utils/activations/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.utils.activations`
-=======================================
+core.models.utils.activations
+=============================
 
 .. py:module:: core.models.utils.activations
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.models.utils.activations.Act
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Act(act: str, slope: float = 0.05)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -61,7 +59,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(input: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(input: torch.Tensor) -> torch.Tensor
 
 
diff --git a/_sources/autoapi/core/models/utils/basis/index.rst b/_sources/autoapi/core/models/utils/basis/index.rst
index f33ce9953..2a4c74171 100644
--- a/_sources/autoapi/core/models/utils/basis/index.rst
+++ b/_sources/autoapi/core/models/utils/basis/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.models.utils.basis`
-=================================
+core.models.utils.basis
+=======================
 
 .. py:module:: core.models.utils.basis
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -29,13 +26,14 @@ Classes
    core.models.utils.basis.SphericalSmearing
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Sine(w0: float = 30.0)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -67,15 +65,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: SIREN(layers: list[int], num_in_features: int, out_features: int, w0: float = 30.0, initializer: str | None = 'siren', c: float = 6)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -107,15 +105,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(X: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(X: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: SINESmearing(num_in_features: int, num_freqs: int = 40, use_cosine: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -147,15 +145,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: GaussianSmearing(num_in_features: int, start: int = 0, end: int = 1, num_freqs: int = 50)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -187,15 +185,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: FourierSmearing(num_in_features: int, num_freqs: int = 40, use_cosine: bool = False)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -227,15 +225,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
+   .. py:method:: forward(x: torch.Tensor) -> torch.Tensor
 
 
 .. py:class:: Basis(num_in_features: int, num_freqs: int = 50, basis_type: str = 'powersine', act: str = 'ssp', sph: SphericalSmearing | None = None)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -267,20 +265,19 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:attribute:: smearing
-      :type: SINESmearing | FourierSmearing | GaussianSmearing | torch.nn.Sequential
+      :type:  SINESmearing | FourierSmearing | GaussianSmearing | torch.nn.Sequential
 
-      
 
    .. py:method:: forward(x: torch.Tensor, edge_attr_sph: torch.Tensor | None = None)
 
 
-
 .. py:class:: SphericalSmearing(max_n: int = 10, option: str = 'all')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -312,17 +309,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
+
    .. py:attribute:: m
-      :type: numpy.typing.NDArray[numpy.int_]
+      :type:  numpy.typing.NDArray[numpy.int_]
 
-      
 
    .. py:attribute:: n
-      :type: numpy.typing.NDArray[numpy.int_]
+      :type:  numpy.typing.NDArray[numpy.int_]
 
-      
 
    .. py:method:: forward(xyz: torch.Tensor) -> torch.Tensor
 
 
-
diff --git a/_sources/autoapi/core/models/utils/index.rst b/_sources/autoapi/core/models/utils/index.rst
index da195a466..060e19381 100644
--- a/_sources/autoapi/core/models/utils/index.rst
+++ b/_sources/autoapi/core/models/utils/index.rst
@@ -1,16 +1,16 @@
-:py:mod:`core.models.utils`
-===========================
+core.models.utils
+=================
 
 .. py:module:: core.models.utils
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   activations/index.rst
-   basis/index.rst
+   /autoapi/core/models/utils/activations/index
+   /autoapi/core/models/utils/basis/index
 
 
diff --git a/_sources/autoapi/core/modules/evaluator/index.rst b/_sources/autoapi/core/modules/evaluator/index.rst
index e8cf3abfe..f3f925225 100644
--- a/_sources/autoapi/core/modules/evaluator/index.rst
+++ b/_sources/autoapi/core/modules/evaluator/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.modules.evaluator`
-================================
+core.modules.evaluator
+======================
 
 .. py:module:: core.modules.evaluator
 
@@ -12,20 +12,24 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.modules.evaluator.NONE
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.evaluator.Evaluator
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -45,31 +49,20 @@ Functions
    core.modules.evaluator.magnitude_error
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.modules.evaluator.NONE
-
+Module Contents
+---------------
 
 .. py:data:: NONE
 
-   
-
 .. py:class:: Evaluator(task: str | None = None, eval_metrics: dict | None = None)
 
-
    .. py:attribute:: task_metrics
-      :type: ClassVar[dict[str, str]]
+      :type:  ClassVar[dict[str, str]]
 
-      
 
    .. py:attribute:: task_primary_metric
-      :type: ClassVar[dict[str, str | None]]
+      :type:  ClassVar[dict[str, str | None]]
 
-      
 
    .. py:method:: eval(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], prev_metrics=None)
 
@@ -77,46 +70,31 @@ Attributes
    .. py:method:: update(key, stat, metrics)
 
 
-
 .. py:function:: forcesx_mae(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE)
 
-
 .. py:function:: forcesx_mse(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE)
 
-
 .. py:function:: forcesy_mae(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None)
 
-
 .. py:function:: forcesy_mse(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None)
 
-
 .. py:function:: forcesz_mae(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None)
 
-
 .. py:function:: forcesz_mse(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None)
 
-
 .. py:function:: energy_forces_within_threshold(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None) -> dict[str, float | int]
 
-
 .. py:function:: energy_within_threshold(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None) -> dict[str, float | int]
 
-
 .. py:function:: average_distance_within_threshold(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = None) -> dict[str, float | int]
 
-
 .. py:function:: min_diff(pred_pos: torch.Tensor, dft_pos: torch.Tensor, cell: torch.Tensor, pbc: torch.Tensor)
 
-
 .. py:function:: cosine_similarity(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE)
 
-
 .. py:function:: mae(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE) -> dict[str, float | int]
 
-
 .. py:function:: mse(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE) -> dict[str, float | int]
 
-
 .. py:function:: magnitude_error(prediction: dict[str, torch.Tensor], target: dict[str, torch.Tensor], key: collections.abc.Hashable = NONE, p: int = 2) -> dict[str, float | int]
 
-
diff --git a/_sources/autoapi/core/modules/exponential_moving_average/index.rst b/_sources/autoapi/core/modules/exponential_moving_average/index.rst
index 2ac2993cd..a0c90bb2e 100644
--- a/_sources/autoapi/core/modules/exponential_moving_average/index.rst
+++ b/_sources/autoapi/core/modules/exponential_moving_average/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.modules.exponential_moving_average`
-=================================================
+core.modules.exponential_moving_average
+=======================================
 
 .. py:module:: core.modules.exponential_moving_average
 
@@ -10,22 +10,19 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.exponential_moving_average.ExponentialMovingAverage
 
 
-
+Module Contents
+---------------
 
 .. py:class:: ExponentialMovingAverage(parameters: collections.abc.Iterable[torch.nn.Parameter], decay: float, use_num_updates: bool = False)
 
-
    Maintains (exponential) moving average of a set of parameters.
 
    :param parameters: Iterable of `torch.nn.Parameter` (typically from
@@ -34,6 +31,7 @@ Classes
    :param use_num_updates: Whether to use number of updates when computing
                            averages.
 
+
    .. py:method:: _get_parameters(parameters: collections.abc.Iterable[torch.nn.Parameter] | None) -> collections.abc.Iterable[torch.nn.Parameter]
 
 
@@ -50,6 +48,7 @@ Classes
                          initialized will be used.
 
 
+
    .. py:method:: copy_to(parameters: collections.abc.Iterable[torch.nn.Parameter] | None = None) -> None
 
       Copy current parameters into given collection of parameters.
@@ -60,6 +59,7 @@ Classes
                          initialized will be used.
 
 
+
    .. py:method:: store(parameters: collections.abc.Iterable[torch.nn.Parameter] | None = None) -> None
 
       Save the current parameters for restoring later.
@@ -69,6 +69,7 @@ Classes
                          `ExponentialMovingAverage` was initialized will be used.
 
 
+
    .. py:method:: restore(parameters: collections.abc.Iterable[torch.nn.Parameter] | None = None) -> None
 
       Restore the parameters stored with the `store` method.
@@ -83,11 +84,13 @@ Classes
                          initialized will be used.
 
 
+
    .. py:method:: state_dict() -> dict
 
       Returns the state of the ExponentialMovingAverage as a dict.
 
 
+
    .. py:method:: load_state_dict(state_dict: dict) -> None
 
       Loads the ExponentialMovingAverage state.
diff --git a/_sources/autoapi/core/modules/index.rst b/_sources/autoapi/core/modules/index.rst
index ea4adb9a5..ebced4f1c 100644
--- a/_sources/autoapi/core/modules/index.rst
+++ b/_sources/autoapi/core/modules/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.modules`
-======================
+core.modules
+============
 
 .. py:module:: core.modules
 
@@ -14,24 +14,24 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   scaling/index.rst
+   /autoapi/core/modules/scaling/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   evaluator/index.rst
-   exponential_moving_average/index.rst
-   loss/index.rst
-   normalizer/index.rst
-   scheduler/index.rst
-   transforms/index.rst
+   /autoapi/core/modules/evaluator/index
+   /autoapi/core/modules/exponential_moving_average/index
+   /autoapi/core/modules/loss/index
+   /autoapi/core/modules/normalizer/index
+   /autoapi/core/modules/scheduler/index
+   /autoapi/core/modules/transforms/index
 
 
diff --git a/_sources/autoapi/core/modules/loss/index.rst b/_sources/autoapi/core/modules/loss/index.rst
index 079bb7af3..62a572829 100644
--- a/_sources/autoapi/core/modules/loss/index.rst
+++ b/_sources/autoapi/core/modules/loss/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`core.modules.loss`
-===========================
+core.modules.loss
+=================
 
 .. py:module:: core.modules.loss
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,13 +14,14 @@ Classes
    core.modules.loss.DDPLoss
 
 
-
+Module Contents
+---------------
 
 .. py:class:: L2MAELoss(reduction: str = 'mean')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -55,15 +53,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor)
 
+   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor)
 
 
 .. py:class:: AtomwiseL2Loss(reduction: str = 'mean')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -95,15 +93,15 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor, natoms: torch.Tensor)
 
+   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor, natoms: torch.Tensor)
 
 
 .. py:class:: DDPLoss(loss_fn, loss_name: str = 'mae', reduction: str = 'mean')
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -135,7 +133,7 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor, natoms: torch.Tensor | None = None, batch_size: int | None = None)
 
+   .. py:method:: forward(input: torch.Tensor, target: torch.Tensor, natoms: torch.Tensor | None = None, batch_size: int | None = None)
 
 
diff --git a/_sources/autoapi/core/modules/normalizer/index.rst b/_sources/autoapi/core/modules/normalizer/index.rst
index 56cf72000..13b903dc3 100644
--- a/_sources/autoapi/core/modules/normalizer/index.rst
+++ b/_sources/autoapi/core/modules/normalizer/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.modules.normalizer`
-=================================
+core.modules.normalizer
+=======================
 
 .. py:module:: core.modules.normalizer
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.normalizer.Normalizer
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Normalizer(tensor: torch.Tensor | None = None, mean=None, std=None, device=None)
 
-
    Normalize a Tensor and restore it later.
 
+
    .. py:method:: to(device) -> None
 
 
@@ -45,4 +43,3 @@ Classes
    .. py:method:: load_state_dict(state_dict) -> None
 
 
-
diff --git a/_sources/autoapi/core/modules/scaling/compat/index.rst b/_sources/autoapi/core/modules/scaling/compat/index.rst
index a3e7f7339..e404b7d3e 100644
--- a/_sources/autoapi/core/modules/scaling/compat/index.rst
+++ b/_sources/autoapi/core/modules/scaling/compat/index.rst
@@ -1,15 +1,19 @@
-:py:mod:`core.modules.scaling.compat`
-=====================================
+core.modules.scaling.compat
+===========================
 
 .. py:module:: core.modules.scaling.compat
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.modules.scaling.compat.ScaleDict
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,19 +21,11 @@ Functions
    core.modules.scaling.compat.load_scales_compat
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.modules.scaling.compat.ScaleDict
-
+Module Contents
+---------------
 
 .. py:data:: ScaleDict
 
-   
-
 .. py:function:: _load_scale_dict(scale_file: str | ScaleDict | None)
 
    Loads scale factors from either:
@@ -40,4 +36,3 @@ Attributes
 
 .. py:function:: load_scales_compat(module: torch.nn.Module, scale_file: str | ScaleDict | None) -> None
 
-
diff --git a/_sources/autoapi/core/modules/scaling/fit/index.rst b/_sources/autoapi/core/modules/scaling/fit/index.rst
index b36129e1a..920d3cf16 100644
--- a/_sources/autoapi/core/modules/scaling/fit/index.rst
+++ b/_sources/autoapi/core/modules/scaling/fit/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`core.modules.scaling.fit`
-==================================
+core.modules.scaling.fit
+========================
 
 .. py:module:: core.modules.scaling.fit
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -18,13 +14,12 @@ Functions
    core.modules.scaling.fit.main
 
 
+Module Contents
+---------------
 
 .. py:function:: _prefilled_input(prompt: str, prefill: str = '') -> str
 
-
 .. py:function:: _train_batch(trainer: fairchem.core.trainers.base_trainer.BaseTrainer, batch) -> None
 
-
 .. py:function:: main(*, num_batches: int = 16) -> None
 
-
diff --git a/_sources/autoapi/core/modules/scaling/index.rst b/_sources/autoapi/core/modules/scaling/index.rst
index b04ed10c6..2634542be 100644
--- a/_sources/autoapi/core/modules/scaling/index.rst
+++ b/_sources/autoapi/core/modules/scaling/index.rst
@@ -1,39 +1,37 @@
-:py:mod:`core.modules.scaling`
-==============================
+core.modules.scaling
+====================
 
 .. py:module:: core.modules.scaling
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   compat/index.rst
-   fit/index.rst
-   scale_factor/index.rst
-   util/index.rst
-
+   /autoapi/core/modules/scaling/compat/index
+   /autoapi/core/modules/scaling/fit/index
+   /autoapi/core/modules/scaling/scale_factor/index
+   /autoapi/core/modules/scaling/util/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.scaling.ScaleFactor
 
 
-
+Package Contents
+----------------
 
 .. py:class:: ScaleFactor(name: str | None = None, enforce_consistency: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -65,33 +63,37 @@ Classes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:property:: fitted
-      :type: bool
-
 
    .. py:attribute:: scale_factor
-      :type: torch.Tensor
+      :type:  torch.Tensor
 
-      
 
    .. py:attribute:: name
-      :type: str | None
+      :type:  str | None
+      :value: None
+
 
-      
 
    .. py:attribute:: index_fn
-      :type: IndexFn | None
+      :type:  IndexFn | None
+      :value: None
+
 
-      
 
    .. py:attribute:: stats
-      :type: _Stats | None
+      :type:  _Stats | None
+      :value: None
+
 
-      
 
    .. py:method:: _enforce_consistency(state_dict, prefix, _local_metadata, _strict, _missing_keys, _unexpected_keys, _error_msgs) -> None
 
 
+   .. py:property:: fitted
+      :type: bool
+
+
+
    .. py:method:: reset_() -> None
 
 
@@ -113,4 +115,3 @@ Classes
    .. py:method:: forward(x: torch.Tensor, *, ref: torch.Tensor | None = None) -> torch.Tensor
 
 
-
diff --git a/_sources/autoapi/core/modules/scaling/scale_factor/index.rst b/_sources/autoapi/core/modules/scaling/scale_factor/index.rst
index c72187413..faae92392 100644
--- a/_sources/autoapi/core/modules/scaling/scale_factor/index.rst
+++ b/_sources/autoapi/core/modules/scaling/scale_factor/index.rst
@@ -1,14 +1,19 @@
-:py:mod:`core.modules.scaling.scale_factor`
-===========================================
+core.modules.scaling.scale_factor
+=================================
 
 .. py:module:: core.modules.scaling.scale_factor
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.modules.scaling.scale_factor.IndexFn
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -16,29 +21,22 @@ Classes
    core.modules.scaling.scale_factor.ScaleFactor
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.modules.scaling.scale_factor._check_consistency
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.modules.scaling.scale_factor.IndexFn
-
+Module Contents
+---------------
 
 .. py:class:: _Stats
 
-
    Bases: :py:obj:`TypedDict`
 
+
    dict() -> new empty dictionary
    dict(mapping) -> new dictionary initialized from a mapping object's
        (key, value) pairs
@@ -49,34 +47,28 @@ Attributes
    dict(**kwargs) -> new dictionary initialized with the name=value pairs
        in the keyword argument list.  For example:  dict(one=1, two=2)
 
+
    .. py:attribute:: variance_in
-      :type: float
+      :type:  float
 
-      
 
    .. py:attribute:: variance_out
-      :type: float
+      :type:  float
 
-      
 
    .. py:attribute:: n_samples
-      :type: int
-
-      
+      :type:  int
 
 
 .. py:data:: IndexFn
 
-   
-
 .. py:function:: _check_consistency(old: torch.Tensor, new: torch.Tensor, key: str) -> None
 
-
 .. py:class:: ScaleFactor(name: str | None = None, enforce_consistency: bool = True)
 
-
    Bases: :py:obj:`torch.nn.Module`
 
+
    Base class for all neural network modules.
 
    Your models should also subclass this class.
@@ -108,33 +100,37 @@ Attributes
                    evaluation mode.
    :vartype training: bool
 
-   .. py:property:: fitted
-      :type: bool
-
 
    .. py:attribute:: scale_factor
-      :type: torch.Tensor
+      :type:  torch.Tensor
 
-      
 
    .. py:attribute:: name
-      :type: str | None
+      :type:  str | None
+      :value: None
+
 
-      
 
    .. py:attribute:: index_fn
-      :type: IndexFn | None
+      :type:  IndexFn | None
+      :value: None
+
 
-      
 
    .. py:attribute:: stats
-      :type: _Stats | None
+      :type:  _Stats | None
+      :value: None
+
 
-      
 
    .. py:method:: _enforce_consistency(state_dict, prefix, _local_metadata, _strict, _missing_keys, _unexpected_keys, _error_msgs) -> None
 
 
+   .. py:property:: fitted
+      :type: bool
+
+
+
    .. py:method:: reset_() -> None
 
 
@@ -156,4 +152,3 @@ Attributes
    .. py:method:: forward(x: torch.Tensor, *, ref: torch.Tensor | None = None) -> torch.Tensor
 
 
-
diff --git a/_sources/autoapi/core/modules/scaling/util/index.rst b/_sources/autoapi/core/modules/scaling/util/index.rst
index d159f79c7..e58ec7368 100644
--- a/_sources/autoapi/core/modules/scaling/util/index.rst
+++ b/_sources/autoapi/core/modules/scaling/util/index.rst
@@ -1,22 +1,19 @@
-:py:mod:`core.modules.scaling.util`
-===================================
+core.modules.scaling.util
+=========================
 
 .. py:module:: core.modules.scaling.util
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.modules.scaling.util.ensure_fitted
 
 
+Module Contents
+---------------
 
 .. py:function:: ensure_fitted(module: torch.nn.Module, warn: bool = False) -> None
 
-
diff --git a/_sources/autoapi/core/modules/scheduler/index.rst b/_sources/autoapi/core/modules/scheduler/index.rst
index 3668a763c..701e3455f 100644
--- a/_sources/autoapi/core/modules/scheduler/index.rst
+++ b/_sources/autoapi/core/modules/scheduler/index.rst
@@ -1,25 +1,22 @@
-:py:mod:`core.modules.scheduler`
-================================
+core.modules.scheduler
+======================
 
 .. py:module:: core.modules.scheduler
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.scheduler.LRScheduler
 
 
-
+Module Contents
+---------------
 
 .. py:class:: LRScheduler(optimizer, config)
 
-
    Learning rate scheduler class for torch.optim learning rate schedulers
 
    .. rubric:: Notes
@@ -34,6 +31,7 @@ Classes
    :param config: Optim dict from the input config
    :type config: dict
 
+
    .. py:method:: step(metrics=None, epoch=None) -> None
 
 
@@ -43,4 +41,3 @@ Classes
    .. py:method:: get_lr()
 
 
-
diff --git a/_sources/autoapi/core/modules/transforms/index.rst b/_sources/autoapi/core/modules/transforms/index.rst
index b05f54993..e3d61265d 100644
--- a/_sources/autoapi/core/modules/transforms/index.rst
+++ b/_sources/autoapi/core/modules/transforms/index.rst
@@ -1,37 +1,32 @@
-:py:mod:`core.modules.transforms`
-=================================
+core.modules.transforms
+=======================
 
 .. py:module:: core.modules.transforms
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.modules.transforms.DataTransforms
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    core.modules.transforms.decompose_tensor
 
 
+Module Contents
+---------------
 
 .. py:class:: DataTransforms(config)
 
-
    .. py:method:: __call__(data_object)
 
 
-
 .. py:function:: decompose_tensor(data_object, config) -> torch_geometric.data.Data
 
-
diff --git a/_sources/autoapi/core/preprocessing/atoms_to_graphs/index.rst b/_sources/autoapi/core/preprocessing/atoms_to_graphs/index.rst
index d3cd5b3d7..8b2f59289 100644
--- a/_sources/autoapi/core/preprocessing/atoms_to_graphs/index.rst
+++ b/_sources/autoapi/core/preprocessing/atoms_to_graphs/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.preprocessing.atoms_to_graphs`
-============================================
+core.preprocessing.atoms_to_graphs
+==================================
 
 .. py:module:: core.preprocessing.atoms_to_graphs
 
@@ -12,39 +12,34 @@
 
 
 
-Module Contents
----------------
-
-Classes
-~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   core.preprocessing.atoms_to_graphs.AtomsToGraphs
-
-
+   core.preprocessing.atoms_to_graphs.AseAtomsAdaptor
+   core.preprocessing.atoms_to_graphs.shell
 
 
-Attributes
-~~~~~~~~~~
+Classes
+-------
 
 .. autoapisummary::
 
-   core.preprocessing.atoms_to_graphs.AseAtomsAdaptor
-   core.preprocessing.atoms_to_graphs.shell
+   core.preprocessing.atoms_to_graphs.AtomsToGraphs
 
 
+Module Contents
+---------------
+
 .. py:data:: AseAtomsAdaptor
+   :value: None
 
-   
 
 .. py:data:: shell
 
-   
-
 .. py:class:: AtomsToGraphs(max_neigh: int = 200, radius: int = 6, r_energy: bool = False, r_forces: bool = False, r_distances: bool = False, r_edges: bool = True, r_fixed: bool = True, r_pbc: bool = False, r_stress: bool = False, r_data_keys: collections.abc.Sequence[str] | None = None)
 
-
    A class to help convert periodic atomic structures to graphs.
 
    The AtomsToGraphs class takes in periodic atomic structures in form of ASE atoms objects and converts
@@ -158,18 +153,21 @@ Attributes
 
       
 
+
    .. py:method:: _get_neighbors_pymatgen(atoms: ase.Atoms)
 
       Preforms nearest neighbor search and returns edge index, distances,
       and cell offsets
 
 
+
    .. py:method:: _reshape_features(c_index, n_index, n_distance, offsets)
 
       Stack center and neighbor index and reshapes distances,
       takes in np.arrays and returns torch tensors
 
 
+
    .. py:method:: convert(atoms: ase.Atoms, sid=None)
 
       Convert a single atomic structure to a graph.
@@ -186,6 +184,7 @@ Attributes
       :rtype: data (torch_geometric.data.Data)
 
 
+
    .. py:method:: convert_all(atoms_collection, processed_file_path: str | None = None, collate_and_save=False, disable_tqdm=False)
 
       Convert all atoms objects in a list or in an ase.db to graphs.
diff --git a/_sources/autoapi/core/preprocessing/index.rst b/_sources/autoapi/core/preprocessing/index.rst
index f6acc52e3..98cf6f1f5 100644
--- a/_sources/autoapi/core/preprocessing/index.rst
+++ b/_sources/autoapi/core/preprocessing/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.preprocessing`
-============================
+core.preprocessing
+==================
 
 .. py:module:: core.preprocessing
 
@@ -14,29 +14,26 @@
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   atoms_to_graphs/index.rst
-
+   /autoapi/core/preprocessing/atoms_to_graphs/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.preprocessing.AtomsToGraphs
 
 
-
+Package Contents
+----------------
 
 .. py:class:: AtomsToGraphs(max_neigh: int = 200, radius: int = 6, r_energy: bool = False, r_forces: bool = False, r_distances: bool = False, r_edges: bool = True, r_fixed: bool = True, r_pbc: bool = False, r_stress: bool = False, r_data_keys: collections.abc.Sequence[str] | None = None)
 
-
    A class to help convert periodic atomic structures to graphs.
 
    The AtomsToGraphs class takes in periodic atomic structures in form of ASE atoms objects and converts
@@ -150,18 +147,21 @@ Classes
 
       
 
+
    .. py:method:: _get_neighbors_pymatgen(atoms: ase.Atoms)
 
       Preforms nearest neighbor search and returns edge index, distances,
       and cell offsets
 
 
+
    .. py:method:: _reshape_features(c_index, n_index, n_distance, offsets)
 
       Stack center and neighbor index and reshapes distances,
       takes in np.arrays and returns torch tensors
 
 
+
    .. py:method:: convert(atoms: ase.Atoms, sid=None)
 
       Convert a single atomic structure to a graph.
@@ -178,6 +178,7 @@ Classes
       :rtype: data (torch_geometric.data.Data)
 
 
+
    .. py:method:: convert_all(atoms_collection, processed_file_path: str | None = None, collate_and_save=False, disable_tqdm=False)
 
       Convert all atoms objects in a list or in an ase.db to graphs.
diff --git a/_sources/autoapi/core/scripts/download_data/index.rst b/_sources/autoapi/core/scripts/download_data/index.rst
index 6f4d4aea8..3e45f5708 100644
--- a/_sources/autoapi/core/scripts/download_data/index.rst
+++ b/_sources/autoapi/core/scripts/download_data/index.rst
@@ -1,15 +1,22 @@
-:py:mod:`core.scripts.download_data`
-====================================
+core.scripts.download_data
+==========================
 
 .. py:module:: core.scripts.download_data
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.download_data.DOWNLOAD_LINKS_s2ef
+   core.scripts.download_data.DOWNLOAD_LINKS_is2re
+   core.scripts.download_data.S2EF_COUNTS
+   core.scripts.download_data.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -20,48 +27,26 @@ Functions
    core.scripts.download_data.cleanup
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.download_data.DOWNLOAD_LINKS_s2ef
-   core.scripts.download_data.DOWNLOAD_LINKS_is2re
-   core.scripts.download_data.S2EF_COUNTS
-   core.scripts.download_data.parser
-
+Module Contents
+---------------
 
 .. py:data:: DOWNLOAD_LINKS_s2ef
-   :type: dict[str, dict[str, str]]
-
-   
+   :type:  dict[str, dict[str, str]]
 
 .. py:data:: DOWNLOAD_LINKS_is2re
-   :type: dict[str, str]
-
-   
+   :type:  dict[str, str]
 
 .. py:data:: S2EF_COUNTS
 
-   
-
 .. py:function:: get_data(datadir: str, task: str, split: str | None, del_intmd_files: bool) -> None
 
-
 .. py:function:: uncompress_data(compressed_dir: str) -> str
 
-
 .. py:function:: preprocess_data(uncompressed_dir: str, output_path: str) -> None
 
-
 .. py:function:: verify_count(output_path: str, task: str, split: str) -> None
 
-
 .. py:function:: cleanup(filename: str, dirname: str) -> None
 
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/scripts/gif_maker_parallelized/index.rst b/_sources/autoapi/core/scripts/gif_maker_parallelized/index.rst
index 234e708f9..b4458e12c 100644
--- a/_sources/autoapi/core/scripts/gif_maker_parallelized/index.rst
+++ b/_sources/autoapi/core/scripts/gif_maker_parallelized/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.gif_maker_parallelized`
-=============================================
+core.scripts.gif_maker_parallelized
+===================================
 
 .. py:module:: core.scripts.gif_maker_parallelized
 
@@ -18,12 +18,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.gif_maker_parallelized.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -32,26 +36,15 @@ Functions
    core.scripts.gif_maker_parallelized.get_parser
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.gif_maker_parallelized.parser
-
+Module Contents
+---------------
 
 .. py:function:: pov_from_atoms(mp_args) -> None
 
-
 .. py:function:: parallelize_generation(traj_path, out_path: str, n_procs) -> None
 
-
 .. py:function:: get_parser() -> argparse.ArgumentParser
 
-
 .. py:data:: parser
-   :type: argparse.ArgumentParser
-
-   
+   :type:  argparse.ArgumentParser
 
diff --git a/_sources/autoapi/core/scripts/hpo/index.rst b/_sources/autoapi/core/scripts/hpo/index.rst
index 2a5810b28..2a4376632 100644
--- a/_sources/autoapi/core/scripts/hpo/index.rst
+++ b/_sources/autoapi/core/scripts/hpo/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.hpo`
-==========================
+core.scripts.hpo
+================
 
 .. py:module:: core.scripts.hpo
 
@@ -14,11 +14,11 @@
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   run_tune/index.rst
-   run_tune_pbt/index.rst
+   /autoapi/core/scripts/hpo/run_tune/index
+   /autoapi/core/scripts/hpo/run_tune_pbt/index
 
 
diff --git a/_sources/autoapi/core/scripts/hpo/run_tune/index.rst b/_sources/autoapi/core/scripts/hpo/run_tune/index.rst
index c14fbfeb0..c1704f7fd 100644
--- a/_sources/autoapi/core/scripts/hpo/run_tune/index.rst
+++ b/_sources/autoapi/core/scripts/hpo/run_tune/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`core.scripts.hpo.run_tune`
-===================================
+core.scripts.hpo.run_tune
+=========================
 
 .. py:module:: core.scripts.hpo.run_tune
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,10 +13,10 @@ Functions
    core.scripts.hpo.run_tune.main
 
 
+Module Contents
+---------------
 
 .. py:function:: ocp_trainable(config, checkpoint_dir=None) -> None
 
-
 .. py:function:: main() -> None
 
-
diff --git a/_sources/autoapi/core/scripts/hpo/run_tune_pbt/index.rst b/_sources/autoapi/core/scripts/hpo/run_tune_pbt/index.rst
index b2a150e80..ec4aadf81 100644
--- a/_sources/autoapi/core/scripts/hpo/run_tune_pbt/index.rst
+++ b/_sources/autoapi/core/scripts/hpo/run_tune_pbt/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`core.scripts.hpo.run_tune_pbt`
-=======================================
+core.scripts.hpo.run_tune_pbt
+=============================
 
 .. py:module:: core.scripts.hpo.run_tune_pbt
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,10 +13,10 @@ Functions
    core.scripts.hpo.run_tune_pbt.main
 
 
+Module Contents
+---------------
 
 .. py:function:: ocp_trainable(config, checkpoint_dir=None) -> None
 
-
 .. py:function:: main() -> None
 
-
diff --git a/_sources/autoapi/core/scripts/index.rst b/_sources/autoapi/core/scripts/index.rst
index 690934af7..a6206517f 100644
--- a/_sources/autoapi/core/scripts/index.rst
+++ b/_sources/autoapi/core/scripts/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts`
-======================
+core.scripts
+============
 
 .. py:module:: core.scripts
 
@@ -14,26 +14,26 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   hpo/index.rst
+   /autoapi/core/scripts/hpo/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   download_data/index.rst
-   gif_maker_parallelized/index.rst
-   make_challenge_submission_file/index.rst
-   make_lmdb_sizes/index.rst
-   make_submission_file/index.rst
-   preprocess_ef/index.rst
-   preprocess_relaxed/index.rst
-   uncompress/index.rst
+   /autoapi/core/scripts/download_data/index
+   /autoapi/core/scripts/gif_maker_parallelized/index
+   /autoapi/core/scripts/make_challenge_submission_file/index
+   /autoapi/core/scripts/make_lmdb_sizes/index
+   /autoapi/core/scripts/make_submission_file/index
+   /autoapi/core/scripts/preprocess_ef/index
+   /autoapi/core/scripts/preprocess_relaxed/index
+   /autoapi/core/scripts/uncompress/index
 
 
diff --git a/_sources/autoapi/core/scripts/make_challenge_submission_file/index.rst b/_sources/autoapi/core/scripts/make_challenge_submission_file/index.rst
index c9787ea4f..a85a2037d 100644
--- a/_sources/autoapi/core/scripts/make_challenge_submission_file/index.rst
+++ b/_sources/autoapi/core/scripts/make_challenge_submission_file/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.make_challenge_submission_file`
-=====================================================
+core.scripts.make_challenge_submission_file
+===========================================
 
 .. py:module:: core.scripts.make_challenge_submission_file
 
@@ -16,12 +16,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.make_challenge_submission_file.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -30,25 +34,14 @@ Functions
    core.scripts.make_challenge_submission_file.main
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.make_challenge_submission_file.parser
-
+Module Contents
+---------------
 
 .. py:function:: write_is2re_relaxations(path: str, filename: str, hybrid) -> None
 
-
 .. py:function:: write_predictions(path: str, filename: str) -> None
 
-
 .. py:function:: main(args: argparse.Namespace) -> None
 
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/scripts/make_lmdb_sizes/index.rst b/_sources/autoapi/core/scripts/make_lmdb_sizes/index.rst
index d900bb153..509b6a8a5 100644
--- a/_sources/autoapi/core/scripts/make_lmdb_sizes/index.rst
+++ b/_sources/autoapi/core/scripts/make_lmdb_sizes/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.make_lmdb_sizes`
-======================================
+core.scripts.make_lmdb_sizes
+============================
 
 .. py:module:: core.scripts.make_lmdb_sizes
 
@@ -10,12 +10,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.make_lmdb_sizes.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -23,22 +27,12 @@ Functions
    core.scripts.make_lmdb_sizes.main
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.make_lmdb_sizes.parser
-
+Module Contents
+---------------
 
 .. py:function:: get_data(index)
 
-
 .. py:function:: main(args) -> None
 
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/scripts/make_submission_file/index.rst b/_sources/autoapi/core/scripts/make_submission_file/index.rst
index 8c89e0864..c16ce92bb 100644
--- a/_sources/autoapi/core/scripts/make_submission_file/index.rst
+++ b/_sources/autoapi/core/scripts/make_submission_file/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.make_submission_file`
-===========================================
+core.scripts.make_submission_file
+=================================
 
 .. py:module:: core.scripts.make_submission_file
 
@@ -12,12 +12,17 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.make_submission_file.SPLITS
+   core.scripts.make_submission_file.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -26,30 +31,16 @@ Functions
    core.scripts.make_submission_file.main
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.make_submission_file.SPLITS
-   core.scripts.make_submission_file.parser
-
+Module Contents
+---------------
 
 .. py:data:: SPLITS
 
-   
-
 .. py:function:: write_is2re_relaxations(args) -> None
 
-
 .. py:function:: write_predictions(args) -> None
 
-
 .. py:function:: main(args: argparse.Namespace) -> None
 
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/scripts/preprocess_ef/index.rst b/_sources/autoapi/core/scripts/preprocess_ef/index.rst
index 84a2afad2..5ecbed69b 100644
--- a/_sources/autoapi/core/scripts/preprocess_ef/index.rst
+++ b/_sources/autoapi/core/scripts/preprocess_ef/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.preprocess_ef`
-====================================
+core.scripts.preprocess_ef
+==========================
 
 .. py:module:: core.scripts.preprocess_ef
 
@@ -10,12 +10,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.preprocess_ef.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -24,26 +28,15 @@ Functions
    core.scripts.preprocess_ef.get_parser
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.preprocess_ef.parser
-
+Module Contents
+---------------
 
 .. py:function:: write_images_to_lmdb(mp_arg)
 
-
 .. py:function:: main(args: argparse.Namespace) -> None
 
-
 .. py:function:: get_parser() -> argparse.ArgumentParser
 
-
 .. py:data:: parser
-   :type: argparse.ArgumentParser
-
-   
+   :type:  argparse.ArgumentParser
 
diff --git a/_sources/autoapi/core/scripts/preprocess_relaxed/index.rst b/_sources/autoapi/core/scripts/preprocess_relaxed/index.rst
index 5e96e685c..51ace6567 100644
--- a/_sources/autoapi/core/scripts/preprocess_relaxed/index.rst
+++ b/_sources/autoapi/core/scripts/preprocess_relaxed/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.preprocess_relaxed`
-=========================================
+core.scripts.preprocess_relaxed
+===============================
 
 .. py:module:: core.scripts.preprocess_relaxed
 
@@ -10,12 +10,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.preprocess_relaxed.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -23,22 +27,12 @@ Functions
    core.scripts.preprocess_relaxed.main
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.preprocess_relaxed.parser
-
+Module Contents
+---------------
 
 .. py:function:: write_images_to_lmdb(mp_arg) -> None
 
-
 .. py:function:: main(args, split) -> None
 
-
 .. py:data:: parser
 
-   
-
diff --git a/_sources/autoapi/core/scripts/uncompress/index.rst b/_sources/autoapi/core/scripts/uncompress/index.rst
index 99d9fa193..1d0b6136a 100644
--- a/_sources/autoapi/core/scripts/uncompress/index.rst
+++ b/_sources/autoapi/core/scripts/uncompress/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.scripts.uncompress`
-=================================
+core.scripts.uncompress
+=======================
 
 .. py:module:: core.scripts.uncompress
 
@@ -10,12 +10,16 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   core.scripts.uncompress.parser
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,29 +29,17 @@ Functions
    core.scripts.uncompress.main
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   core.scripts.uncompress.parser
-
+Module Contents
+---------------
 
 .. py:function:: read_lzma(inpfile: str, outfile: str) -> None
 
-
 .. py:function:: decompress_list_of_files(ip_op_pair: tuple[str, str]) -> None
 
-
 .. py:function:: get_parser() -> argparse.ArgumentParser
 
-
 .. py:function:: main(args: argparse.Namespace) -> None
 
-
 .. py:data:: parser
-   :type: argparse.ArgumentParser
-
-   
+   :type:  argparse.ArgumentParser
 
diff --git a/_sources/autoapi/core/tasks/index.rst b/_sources/autoapi/core/tasks/index.rst
index d82f71aaf..eee09b2c3 100644
--- a/_sources/autoapi/core/tasks/index.rst
+++ b/_sources/autoapi/core/tasks/index.rst
@@ -1,23 +1,20 @@
-:py:mod:`core.tasks`
-====================
+core.tasks
+==========
 
 .. py:module:: core.tasks
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   task/index.rst
+   /autoapi/core/tasks/task/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,44 +24,41 @@ Classes
    core.tasks.ValidateTask
 
 
-
+Package Contents
+----------------
 
 .. py:class:: PredictTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
 .. py:class:: RelaxationTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
 .. py:class:: TrainTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
+
    .. py:method:: _process_error(e: RuntimeError) -> None
 
 
    .. py:method:: run() -> None
 
 
-
 .. py:class:: ValidateTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
diff --git a/_sources/autoapi/core/tasks/task/index.rst b/_sources/autoapi/core/tasks/task/index.rst
index d0412859a..624d49b4f 100644
--- a/_sources/autoapi/core/tasks/task/index.rst
+++ b/_sources/autoapi/core/tasks/task/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.tasks.task`
-=========================
+core.tasks.task
+===============
 
 .. py:module:: core.tasks.task
 
@@ -12,11 +12,8 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -27,11 +24,11 @@ Classes
    core.tasks.task.RelaxationTask
 
 
-
+Module Contents
+---------------
 
 .. py:class:: BaseTask(config)
 
-
    .. py:method:: setup(trainer) -> None
 
 
@@ -42,40 +39,36 @@ Classes
 
 .. py:class:: TrainTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
+
    .. py:method:: _process_error(e: RuntimeError) -> None
 
 
    .. py:method:: run() -> None
 
 
-
 .. py:class:: PredictTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
 .. py:class:: ValidateTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
 .. py:class:: RelaxationTask(config)
 
-
    Bases: :py:obj:`BaseTask`
 
-   .. py:method:: run() -> None
 
+   .. py:method:: run() -> None
 
 
diff --git a/_sources/autoapi/core/trainers/base_trainer/index.rst b/_sources/autoapi/core/trainers/base_trainer/index.rst
index 6e8efb4ed..b417c76bb 100644
--- a/_sources/autoapi/core/trainers/base_trainer/index.rst
+++ b/_sources/autoapi/core/trainers/base_trainer/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.trainers.base_trainer`
-====================================
+core.trainers.base_trainer
+==========================
 
 .. py:module:: core.trainers.base_trainer
 
@@ -12,40 +12,39 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.trainers.base_trainer.BaseTrainer
 
 
+Module Contents
+---------------
 
-
-.. py:class:: BaseTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier: str, timestamp_id: str | None = None, run_dir: str | None = None, is_debug: bool = False, print_every: int = 100, seed: int | None = None, logger: str = 'wandb', local_rank: int = 0, amp: bool = False, cpu: bool = False, name: str = 'ocp', slurm=None, noddp: bool = False)
-
+.. py:class:: BaseTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier: str, timestamp_id: str | None = None, run_dir: str | None = None, is_debug: bool = False, print_every: int = 100, seed: int | None = None, logger: str = 'wandb', local_rank: int = 0, amp: bool = False, cpu: bool = False, name: str = 'ocp', slurm=None, noddp: bool = False)
 
    Bases: :py:obj:`abc.ABC`
 
+
    Helper class that provides a standard way to create an ABC using
    inheritance.
 
-   .. py:property:: _unwrapped_model
-
 
    .. py:method:: train(disable_eval_tqdm: bool = False) -> None
       :abstractmethod:
 
+
       Run model training iterations.
 
 
+
    .. py:method:: _get_timestamp(device: torch.device, suffix: str | None) -> str
       :staticmethod:
 
 
+
    .. py:method:: load() -> None
 
 
@@ -73,6 +72,9 @@ Classes
    .. py:method:: load_model() -> None
 
 
+   .. py:property:: _unwrapped_model
+
+
    .. py:method:: load_checkpoint(checkpoint_path: str, checkpoint: dict | None = None) -> None
 
 
@@ -100,4 +102,3 @@ Classes
    .. py:method:: save_results(predictions: dict[str, numpy.typing.NDArray], results_file: str | None, keys: collections.abc.Sequence[str] | None = None) -> None
 
 
-
diff --git a/_sources/autoapi/core/trainers/index.rst b/_sources/autoapi/core/trainers/index.rst
index 8e9c6fb6d..57e86927e 100644
--- a/_sources/autoapi/core/trainers/index.rst
+++ b/_sources/autoapi/core/trainers/index.rst
@@ -1,24 +1,21 @@
-:py:mod:`core.trainers`
-=======================
+core.trainers
+=============
 
 .. py:module:: core.trainers
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   base_trainer/index.rst
-   ocp_trainer/index.rst
-
+   /autoapi/core/trainers/base_trainer/index
+   /autoapi/core/trainers/ocp_trainer/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -26,29 +23,31 @@ Classes
    core.trainers.OCPTrainer
 
 
+Package Contents
+----------------
 
-
-.. py:class:: BaseTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier: str, timestamp_id: str | None = None, run_dir: str | None = None, is_debug: bool = False, print_every: int = 100, seed: int | None = None, logger: str = 'wandb', local_rank: int = 0, amp: bool = False, cpu: bool = False, name: str = 'ocp', slurm=None, noddp: bool = False)
-
+.. py:class:: BaseTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier: str, timestamp_id: str | None = None, run_dir: str | None = None, is_debug: bool = False, print_every: int = 100, seed: int | None = None, logger: str = 'wandb', local_rank: int = 0, amp: bool = False, cpu: bool = False, name: str = 'ocp', slurm=None, noddp: bool = False)
 
    Bases: :py:obj:`abc.ABC`
 
+
    Helper class that provides a standard way to create an ABC using
    inheritance.
 
-   .. py:property:: _unwrapped_model
-
 
    .. py:method:: train(disable_eval_tqdm: bool = False) -> None
       :abstractmethod:
 
+
       Run model training iterations.
 
 
+
    .. py:method:: _get_timestamp(device: torch.device, suffix: str | None) -> str
       :staticmethod:
 
 
+
    .. py:method:: load() -> None
 
 
@@ -76,6 +75,9 @@ Classes
    .. py:method:: load_model() -> None
 
 
+   .. py:property:: _unwrapped_model
+
+
    .. py:method:: load_checkpoint(checkpoint_path: str, checkpoint: dict | None = None) -> None
 
 
@@ -103,12 +105,11 @@ Classes
    .. py:method:: save_results(predictions: dict[str, numpy.typing.NDArray], results_file: str | None, keys: collections.abc.Sequence[str] | None = None) -> None
 
 
-
-.. py:class:: OCPTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
-
+.. py:class:: OCPTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
 
    Bases: :py:obj:`fairchem.core.trainers.base_trainer.BaseTrainer`
 
+
    Trainer class for the Structure to Energy & Force (S2EF) and Initial State to
    Relaxed State (IS2RS) tasks.
 
@@ -128,10 +129,10 @@ Classes
    :type dataset: dict
    :param optimizer: Optimizer configuration.
    :type optimizer: dict
-   :param loss_fns: Loss function configuration.
-   :type loss_fns: dict
-   :param eval_metrics: Evaluation metrics configuration.
-   :type eval_metrics: dict
+   :param loss_functions: Loss function configuration.
+   :type loss_functions: dict
+   :param evaluation_metrics: Evaluation metrics configuration.
+   :type evaluation_metrics: dict
    :param identifier: Experiment identifier that is appended to log directory.
    :type identifier: str
    :param run_dir: Path to the run directory where logs are to be saved.
@@ -161,11 +162,13 @@ Classes
    :param noddp: Run model without DDP.
    :type noddp: bool, optional
 
+
    .. py:method:: train(disable_eval_tqdm: bool = False) -> None
 
       Run model training iterations.
 
 
+
    .. py:method:: _forward(batch)
 
 
@@ -181,4 +184,3 @@ Classes
    .. py:method:: run_relaxations(split='val')
 
 
-
diff --git a/_sources/autoapi/core/trainers/ocp_trainer/index.rst b/_sources/autoapi/core/trainers/ocp_trainer/index.rst
index 40d11d33a..3cb402c2d 100644
--- a/_sources/autoapi/core/trainers/ocp_trainer/index.rst
+++ b/_sources/autoapi/core/trainers/ocp_trainer/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`core.trainers.ocp_trainer`
-===================================
+core.trainers.ocp_trainer
+=========================
 
 .. py:module:: core.trainers.ocp_trainer
 
@@ -12,24 +12,22 @@
 
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    core.trainers.ocp_trainer.OCPTrainer
 
 
+Module Contents
+---------------
 
-
-.. py:class:: OCPTrainer(task, model, outputs, dataset, optimizer, loss_fns, eval_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
-
+.. py:class:: OCPTrainer(task, model, outputs, dataset, optimizer, loss_functions, evaluation_metrics, identifier, timestamp_id=None, run_dir=None, is_debug=False, print_every=100, seed=None, logger='wandb', local_rank=0, amp=False, cpu=False, slurm=None, noddp=False, name='ocp')
 
    Bases: :py:obj:`fairchem.core.trainers.base_trainer.BaseTrainer`
 
+
    Trainer class for the Structure to Energy & Force (S2EF) and Initial State to
    Relaxed State (IS2RS) tasks.
 
@@ -49,10 +47,10 @@ Classes
    :type dataset: dict
    :param optimizer: Optimizer configuration.
    :type optimizer: dict
-   :param loss_fns: Loss function configuration.
-   :type loss_fns: dict
-   :param eval_metrics: Evaluation metrics configuration.
-   :type eval_metrics: dict
+   :param loss_functions: Loss function configuration.
+   :type loss_functions: dict
+   :param evaluation_metrics: Evaluation metrics configuration.
+   :type evaluation_metrics: dict
    :param identifier: Experiment identifier that is appended to log directory.
    :type identifier: str
    :param run_dir: Path to the run directory where logs are to be saved.
@@ -82,11 +80,13 @@ Classes
    :param noddp: Run model without DDP.
    :type noddp: bool, optional
 
+
    .. py:method:: train(disable_eval_tqdm: bool = False) -> None
 
       Run model training iterations.
 
 
+
    .. py:method:: _forward(batch)
 
 
@@ -102,4 +102,3 @@ Classes
    .. py:method:: run_relaxations(split='val')
 
 
-
diff --git a/_sources/autoapi/data/index.rst b/_sources/autoapi/data/index.rst
index d619c9314..cabb6cbf3 100644
--- a/_sources/autoapi/data/index.rst
+++ b/_sources/autoapi/data/index.rst
@@ -1,17 +1,17 @@
-:py:mod:`data`
-==============
+data
+====
 
 .. py:module:: data
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   oc/index.rst
-   odac/index.rst
-   om/index.rst
+   /autoapi/data/oc/index
+   /autoapi/data/odac/index
+   /autoapi/data/om/index
 
 
diff --git a/_sources/autoapi/data/oc/core/adsorbate/index.rst b/_sources/autoapi/data/oc/core/adsorbate/index.rst
index 6745e0e89..d9ab00de3 100644
--- a/_sources/autoapi/data/oc/core/adsorbate/index.rst
+++ b/_sources/autoapi/data/oc/core/adsorbate/index.rst
@@ -1,33 +1,30 @@
-:py:mod:`data.oc.core.adsorbate`
-================================
+data.oc.core.adsorbate
+======================
 
 .. py:module:: data.oc.core.adsorbate
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.core.adsorbate.Adsorbate
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    data.oc.core.adsorbate.randomly_rotate_adsorbate
 
 
+Module Contents
+---------------
 
 .. py:class:: Adsorbate(adsorbate_atoms: ase.Atoms = None, adsorbate_id_from_db: int = None, adsorbate_smiles_from_db: str = None, adsorbate_db_path: str = ADSORBATE_PKL_PATH, adsorbate_db: Dict[int, Tuple[Any, Ellipsis]] = None, adsorbate_binding_indices: list = None)
 
-
    Initializes an adsorbate object in one of 4 ways:
    - Directly pass in an ase.Atoms object.
        For this, you should also provide the index of the binding atom.
@@ -46,6 +43,7 @@ Functions
    :param adsorbate_binding_indices: The index/indices of the adsorbate atoms which are expected to bind.
    :type adsorbate_binding_indices: list
 
+
    .. py:method:: __len__()
 
 
@@ -54,11 +52,13 @@ Functions
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: _get_adsorbate_from_random(adsorbate_db)
 
 
@@ -72,4 +72,3 @@ Functions
 
 .. py:function:: randomly_rotate_adsorbate(adsorbate_atoms: ase.Atoms, mode: str = 'random', binding_idx: int = None)
 
-
diff --git a/_sources/autoapi/data/oc/core/adsorbate_slab_config/index.rst b/_sources/autoapi/data/oc/core/adsorbate_slab_config/index.rst
index 76226d3c9..5ad57f9c9 100644
--- a/_sources/autoapi/data/oc/core/adsorbate_slab_config/index.rst
+++ b/_sources/autoapi/data/oc/core/adsorbate_slab_config/index.rst
@@ -1,23 +1,19 @@
-:py:mod:`data.oc.core.adsorbate_slab_config`
-============================================
+data.oc.core.adsorbate_slab_config
+==================================
 
 .. py:module:: data.oc.core.adsorbate_slab_config
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -27,10 +23,11 @@ Functions
    data.oc.core.adsorbate_slab_config.there_is_overlap
 
 
+Module Contents
+---------------
 
 .. py:class:: AdsorbateSlabConfig(slab: fairchem.data.oc.core.Slab, adsorbate: fairchem.data.oc.core.Adsorbate, num_sites: int = 100, num_augmentations_per_site: int = 1, interstitial_gap: float = 0.1, mode: str = 'random')
 
-
    Initializes a list of adsorbate-catalyst systems for a given Adsorbate and Slab.
 
    :param slab: Slab object.
@@ -68,21 +65,25 @@ Functions
                 overlap with the slab plus `interstitial_gap` along the surface normal.
    :type mode: str
 
+
    .. py:method:: get_binding_sites(num_sites: int)
 
       Returns up to `num_sites` sites given the surface atoms' positions.
 
 
+
    .. py:method:: place_adsorbate_on_site(adsorbate: fairchem.data.oc.core.Adsorbate, site: numpy.ndarray, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding site.
 
 
+
    .. py:method:: place_adsorbate_on_sites(sites: list, num_augmentations_per_site: int = 1, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding sites.
 
 
+
    .. py:method:: _get_scaled_normal(adsorbate_c: ase.Atoms, slab_c: ase.Atoms, site: numpy.ndarray, unit_normal: numpy.ndarray, interstitial_gap: float = 0.1)
 
       Get the scaled normal that gives a proximate configuration without atomic
@@ -118,6 +119,7 @@ Functions
       :rtype: (float)
 
 
+
    .. py:method:: _find_combos_to_check(adsorbate_c2: ase.Atoms, slab_c2: ase.Atoms, unit_normal: numpy.ndarray, interstitial_gap: float)
 
       Find the pairs of surface and adsorbate atoms that would have an intersection event
@@ -142,6 +144,7 @@ Functions
       :rtype: (list[lists])
 
 
+
    .. py:method:: _get_projected_points(adsorbate_c2: ase.Atoms, slab_c2: ase.Atoms, unit_normal: numpy.ndarray)
 
       Find the x and y coordinates of each atom projected onto the surface plane.
@@ -157,6 +160,7 @@ Functions
       :rtype: (dict)
 
 
+
    .. py:method:: get_metadata_dict(ind)
 
       Returns a dict containing the atoms object and metadata for
diff --git a/_sources/autoapi/data/oc/core/bulk/index.rst b/_sources/autoapi/data/oc/core/bulk/index.rst
index 5df8803ba..944c3022e 100644
--- a/_sources/autoapi/data/oc/core/bulk/index.rst
+++ b/_sources/autoapi/data/oc/core/bulk/index.rst
@@ -1,25 +1,22 @@
-:py:mod:`data.oc.core.bulk`
-===========================
+data.oc.core.bulk
+=================
 
 .. py:module:: data.oc.core.bulk
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.core.bulk.Bulk
 
 
-
+Module Contents
+---------------
 
 .. py:class:: Bulk(bulk_atoms: ase.Atoms = None, bulk_id_from_db: int = None, bulk_src_id_from_db: str = None, bulk_db_path: str = BULK_PKL_PATH, bulk_db: List[Dict[str, Any]] = None)
 
-
    Initializes a bulk object in one of 4 ways:
    - Directly pass in an ase.Atoms object.
    - Pass in index of bulk to select from bulk database.
@@ -37,6 +34,7 @@ Classes
    :param bulk_db: Already-loaded database.
    :type bulk_db: List[Dict[str, Any]]
 
+
    .. py:method:: _get_bulk_from_random(bulk_db)
 
 
@@ -51,6 +49,7 @@ Classes
       Returns a list of possible slabs for this bulk instance.
 
 
+
    .. py:method:: __len__()
 
 
@@ -59,11 +58,13 @@ Classes
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: __eq__(other) -> bool
 
       Return self==value.
diff --git a/_sources/autoapi/data/oc/core/index.rst b/_sources/autoapi/data/oc/core/index.rst
index e1d337476..4233e16bb 100644
--- a/_sources/autoapi/data/oc/core/index.rst
+++ b/_sources/autoapi/data/oc/core/index.rst
@@ -1,27 +1,24 @@
-:py:mod:`data.oc.core`
-======================
+data.oc.core
+============
 
 .. py:module:: data.oc.core
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   adsorbate/index.rst
-   adsorbate_slab_config/index.rst
-   bulk/index.rst
-   multi_adsorbate_slab_config/index.rst
-   slab/index.rst
+   /autoapi/data/oc/core/adsorbate/index
+   /autoapi/data/oc/core/adsorbate_slab_config/index
+   /autoapi/data/oc/core/bulk/index
+   /autoapi/data/oc/core/multi_adsorbate_slab_config/index
+   /autoapi/data/oc/core/slab/index
 
 
-Package Contents
-----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -32,11 +29,11 @@ Classes
    data.oc.core.MultipleAdsorbateSlabConfig
 
 
-
+Package Contents
+----------------
 
 .. py:class:: Bulk(bulk_atoms: ase.Atoms = None, bulk_id_from_db: int = None, bulk_src_id_from_db: str = None, bulk_db_path: str = BULK_PKL_PATH, bulk_db: List[Dict[str, Any]] = None)
 
-
    Initializes a bulk object in one of 4 ways:
    - Directly pass in an ase.Atoms object.
    - Pass in index of bulk to select from bulk database.
@@ -54,6 +51,7 @@ Classes
    :param bulk_db: Already-loaded database.
    :type bulk_db: List[Dict[str, Any]]
 
+
    .. py:method:: _get_bulk_from_random(bulk_db)
 
 
@@ -68,6 +66,7 @@ Classes
       Returns a list of possible slabs for this bulk instance.
 
 
+
    .. py:method:: __len__()
 
 
@@ -76,11 +75,13 @@ Classes
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: __eq__(other) -> bool
 
       Return self==value.
@@ -89,7 +90,6 @@ Classes
 
 .. py:class:: Slab(bulk=None, slab_atoms: ase.Atoms = None, millers: tuple = None, shift: float = None, top: bool = None, oriented_bulk: pymatgen.core.structure.Structure = None, min_ab: float = 0.8)
 
-
    Initializes a slab object, i.e. a particular slab tiled along xyz, in
    one of 2 ways:
    - Pass in a Bulk object and a slab 5-tuple containing
@@ -109,26 +109,32 @@ Classes
    :param min_ab: To confirm that the tiled structure spans this distance
    :type min_ab: float
 
+
    .. py:method:: from_bulk_get_random_slab(bulk=None, max_miller=2, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_bulk_get_specific_millers(specific_millers, bulk=None, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_bulk_get_all_slabs(bulk=None, max_miller=2, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_precomputed_slabs_pkl(bulk=None, precomputed_slabs_pkl=None, max_miller=2, min_ab=8.0)
       :classmethod:
 
 
+
    .. py:method:: from_atoms(atoms: ase.Atoms = None, bulk=None, **kwargs)
       :classmethod:
 
 
+
    .. py:method:: has_surface_tagged()
 
 
@@ -143,11 +149,13 @@ Classes
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: __eq__(other)
 
       Return self==value.
@@ -156,7 +164,6 @@ Classes
 
 .. py:class:: Adsorbate(adsorbate_atoms: ase.Atoms = None, adsorbate_id_from_db: int = None, adsorbate_smiles_from_db: str = None, adsorbate_db_path: str = ADSORBATE_PKL_PATH, adsorbate_db: Dict[int, Tuple[Any, Ellipsis]] = None, adsorbate_binding_indices: list = None)
 
-
    Initializes an adsorbate object in one of 4 ways:
    - Directly pass in an ase.Atoms object.
        For this, you should also provide the index of the binding atom.
@@ -175,6 +182,7 @@ Classes
    :param adsorbate_binding_indices: The index/indices of the adsorbate atoms which are expected to bind.
    :type adsorbate_binding_indices: list
 
+
    .. py:method:: __len__()
 
 
@@ -183,11 +191,13 @@ Classes
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: _get_adsorbate_from_random(adsorbate_db)
 
 
@@ -201,7 +211,6 @@ Classes
 
 .. py:class:: AdsorbateSlabConfig(slab: fairchem.data.oc.core.Slab, adsorbate: fairchem.data.oc.core.Adsorbate, num_sites: int = 100, num_augmentations_per_site: int = 1, interstitial_gap: float = 0.1, mode: str = 'random')
 
-
    Initializes a list of adsorbate-catalyst systems for a given Adsorbate and Slab.
 
    :param slab: Slab object.
@@ -239,21 +248,25 @@ Classes
                 overlap with the slab plus `interstitial_gap` along the surface normal.
    :type mode: str
 
+
    .. py:method:: get_binding_sites(num_sites: int)
 
       Returns up to `num_sites` sites given the surface atoms' positions.
 
 
+
    .. py:method:: place_adsorbate_on_site(adsorbate: fairchem.data.oc.core.Adsorbate, site: numpy.ndarray, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding site.
 
 
+
    .. py:method:: place_adsorbate_on_sites(sites: list, num_augmentations_per_site: int = 1, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding sites.
 
 
+
    .. py:method:: _get_scaled_normal(adsorbate_c: ase.Atoms, slab_c: ase.Atoms, site: numpy.ndarray, unit_normal: numpy.ndarray, interstitial_gap: float = 0.1)
 
       Get the scaled normal that gives a proximate configuration without atomic
@@ -289,6 +302,7 @@ Classes
       :rtype: (float)
 
 
+
    .. py:method:: _find_combos_to_check(adsorbate_c2: ase.Atoms, slab_c2: ase.Atoms, unit_normal: numpy.ndarray, interstitial_gap: float)
 
       Find the pairs of surface and adsorbate atoms that would have an intersection event
@@ -313,6 +327,7 @@ Classes
       :rtype: (list[lists])
 
 
+
    .. py:method:: _get_projected_points(adsorbate_c2: ase.Atoms, slab_c2: ase.Atoms, unit_normal: numpy.ndarray)
 
       Find the x and y coordinates of each atom projected onto the surface plane.
@@ -328,6 +343,7 @@ Classes
       :rtype: (dict)
 
 
+
    .. py:method:: get_metadata_dict(ind)
 
       Returns a dict containing the atoms object and metadata for
@@ -337,9 +353,9 @@ Classes
 
 .. py:class:: MultipleAdsorbateSlabConfig(slab: fairchem.data.oc.core.Slab, adsorbates: List[fairchem.data.oc.core.Adsorbate], num_sites: int = 100, num_configurations: int = 1, interstitial_gap: float = 0.1, mode: str = 'random_site_heuristic_placement')
 
-
    Bases: :py:obj:`fairchem.data.oc.core.AdsorbateSlabConfig`
 
+
    Class to represent a slab with multiple adsorbates on it. This class only
    returns a fixed combination of adsorbates placed on the surface. Unlike
    AdsorbateSlabConfig which enumerates all possible adsorbate placements, this
@@ -382,6 +398,7 @@ Classes
                 overlap with the slab plus `interstitial_gap` along the surface normal.
    :type mode: str
 
+
    .. py:method:: place_adsorbates_on_sites(sites: list, num_configurations: int = 1, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding sites.
@@ -394,6 +411,7 @@ Classes
       of angles is sampled.
 
 
+
    .. py:method:: get_metadata_dict(ind)
 
       Returns a dict containing the atoms object and metadata for
diff --git a/_sources/autoapi/data/oc/core/multi_adsorbate_slab_config/index.rst b/_sources/autoapi/data/oc/core/multi_adsorbate_slab_config/index.rst
index 570a74988..565c2cf60 100644
--- a/_sources/autoapi/data/oc/core/multi_adsorbate_slab_config/index.rst
+++ b/_sources/autoapi/data/oc/core/multi_adsorbate_slab_config/index.rst
@@ -1,35 +1,33 @@
-:py:mod:`data.oc.core.multi_adsorbate_slab_config`
-==================================================
+data.oc.core.multi_adsorbate_slab_config
+========================================
 
 .. py:module:: data.oc.core.multi_adsorbate_slab_config
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    data.oc.core.multi_adsorbate_slab_config.update_distance_map
 
 
+Module Contents
+---------------
 
 .. py:class:: MultipleAdsorbateSlabConfig(slab: fairchem.data.oc.core.Slab, adsorbates: List[fairchem.data.oc.core.Adsorbate], num_sites: int = 100, num_configurations: int = 1, interstitial_gap: float = 0.1, mode: str = 'random_site_heuristic_placement')
 
-
    Bases: :py:obj:`fairchem.data.oc.core.AdsorbateSlabConfig`
 
+
    Class to represent a slab with multiple adsorbates on it. This class only
    returns a fixed combination of adsorbates placed on the surface. Unlike
    AdsorbateSlabConfig which enumerates all possible adsorbate placements, this
@@ -72,6 +70,7 @@ Functions
                 overlap with the slab plus `interstitial_gap` along the surface normal.
    :type mode: str
 
+
    .. py:method:: place_adsorbates_on_sites(sites: list, num_configurations: int = 1, interstitial_gap: float = 0.1)
 
       Place the adsorbate at the given binding sites.
@@ -84,6 +83,7 @@ Functions
       of angles is sampled.
 
 
+
    .. py:method:: get_metadata_dict(ind)
 
       Returns a dict containing the atoms object and metadata for
diff --git a/_sources/autoapi/data/oc/core/slab/index.rst b/_sources/autoapi/data/oc/core/slab/index.rst
index 93f0032c4..931776ce9 100644
--- a/_sources/autoapi/data/oc/core/slab/index.rst
+++ b/_sources/autoapi/data/oc/core/slab/index.rst
@@ -1,23 +1,19 @@
-:py:mod:`data.oc.core.slab`
-===========================
+data.oc.core.slab
+=================
 
 .. py:module:: data.oc.core.slab
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.core.slab.Slab
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -35,10 +31,11 @@ Functions
    data.oc.core.slab.standardize_bulk
 
 
+Module Contents
+---------------
 
 .. py:class:: Slab(bulk=None, slab_atoms: ase.Atoms = None, millers: tuple = None, shift: float = None, top: bool = None, oriented_bulk: pymatgen.core.structure.Structure = None, min_ab: float = 0.8)
 
-
    Initializes a slab object, i.e. a particular slab tiled along xyz, in
    one of 2 ways:
    - Pass in a Bulk object and a slab 5-tuple containing
@@ -58,26 +55,32 @@ Functions
    :param min_ab: To confirm that the tiled structure spans this distance
    :type min_ab: float
 
+
    .. py:method:: from_bulk_get_random_slab(bulk=None, max_miller=2, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_bulk_get_specific_millers(specific_millers, bulk=None, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_bulk_get_all_slabs(bulk=None, max_miller=2, min_ab=8.0, save_path=None)
       :classmethod:
 
 
+
    .. py:method:: from_precomputed_slabs_pkl(bulk=None, precomputed_slabs_pkl=None, max_miller=2, min_ab=8.0)
       :classmethod:
 
 
+
    .. py:method:: from_atoms(atoms: ase.Atoms = None, bulk=None, **kwargs)
       :classmethod:
 
 
+
    .. py:method:: has_surface_tagged()
 
 
@@ -92,11 +95,13 @@ Functions
       Return str(self).
 
 
+
    .. py:method:: __repr__()
 
       Return repr(self).
 
 
+
    .. py:method:: __eq__(other)
 
       Return self==value.
diff --git a/_sources/autoapi/data/oc/databases/index.rst b/_sources/autoapi/data/oc/databases/index.rst
index b8f3075c6..86750a8fe 100644
--- a/_sources/autoapi/data/oc/databases/index.rst
+++ b/_sources/autoapi/data/oc/databases/index.rst
@@ -1,24 +1,24 @@
-:py:mod:`data.oc.databases`
-===========================
+data.oc.databases
+=================
 
 .. py:module:: data.oc.databases
 
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   pkls/index.rst
+   /autoapi/data/oc/databases/pkls/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   update/index.rst
+   /autoapi/data/oc/databases/update/index
 
 
diff --git a/_sources/autoapi/data/oc/databases/pkls/index.rst b/_sources/autoapi/data/oc/databases/pkls/index.rst
index 6c516d0c7..a212daacf 100644
--- a/_sources/autoapi/data/oc/databases/pkls/index.rst
+++ b/_sources/autoapi/data/oc/databases/pkls/index.rst
@@ -1,17 +1,22 @@
-:py:mod:`data.oc.databases.pkls`
-================================
+data.oc.databases.pkls
+======================
 
 .. py:module:: data.oc.databases.pkls
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.databases.pkls.BULK_PKL_PATH
+   data.oc.databases.pkls.ADSORBATE_PKL_PATH
+
+
 Package Contents
 ----------------
 
 .. py:data:: BULK_PKL_PATH
 
-   
-
 .. py:data:: ADSORBATE_PKL_PATH
 
-   
-
diff --git a/_sources/autoapi/data/oc/databases/update/index.rst b/_sources/autoapi/data/oc/databases/update/index.rst
index 8bc39c042..4a88baa01 100644
--- a/_sources/autoapi/data/oc/databases/update/index.rst
+++ b/_sources/autoapi/data/oc/databases/update/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.oc.databases.update`
-==================================
+data.oc.databases.update
+========================
 
 .. py:module:: data.oc.databases.update
 
@@ -10,12 +10,8 @@
 
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -25,16 +21,14 @@ Functions
    data.oc.databases.update.update_dbs
 
 
+Module Contents
+---------------
 
 .. py:function:: pbc_patch(self)
 
-
 .. py:function:: set_pbc_patch(self, pbc)
 
-
 .. py:function:: update_pkls()
 
-
 .. py:function:: update_dbs()
 
-
diff --git a/_sources/autoapi/data/oc/experimental/get_energies/index.rst b/_sources/autoapi/data/oc/experimental/get_energies/index.rst
index 0b7d64f02..ec71168a5 100644
--- a/_sources/autoapi/data/oc/experimental/get_energies/index.rst
+++ b/_sources/autoapi/data/oc/experimental/get_energies/index.rst
@@ -1,15 +1,19 @@
-:py:mod:`data.oc.experimental.get_energies`
-===========================================
+data.oc.experimental.get_energies
+=================================
 
 .. py:module:: data.oc.experimental.get_energies
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.experimental.get_energies.input_folder
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,23 +21,14 @@ Functions
    data.oc.experimental.get_energies.process_func
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   data.oc.experimental.get_energies.input_folder
-
+Module Contents
+---------------
 
 .. py:function:: extract_file(zipname, file_to_unzip, extract_to)
 
-
 .. py:function:: process_func(indices, dirlist, ans)
 
-
 .. py:data:: input_folder
    :value: 'temp_download/'
 
-   
 
diff --git a/_sources/autoapi/data/oc/experimental/merge_traj/index.rst b/_sources/autoapi/data/oc/experimental/merge_traj/index.rst
index ae550dc65..24e285306 100644
--- a/_sources/autoapi/data/oc/experimental/merge_traj/index.rst
+++ b/_sources/autoapi/data/oc/experimental/merge_traj/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`data.oc.experimental.merge_traj`
-=========================================
+data.oc.experimental.merge_traj
+===============================
 
 .. py:module:: data.oc.experimental.merge_traj
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,10 +13,11 @@ Functions
    data.oc.experimental.merge_traj.main
 
 
+Module Contents
+---------------
 
 .. py:function:: extract_file(zipname, file_to_unzip, extract_to)
 
-
 .. py:function:: main()
 
    Given a directory containing adsorbate subdirectories, loops through all
diff --git a/_sources/autoapi/data/oc/experimental/perturb_systems/index.rst b/_sources/autoapi/data/oc/experimental/perturb_systems/index.rst
index f164929e2..6a20bf067 100644
--- a/_sources/autoapi/data/oc/experimental/perturb_systems/index.rst
+++ b/_sources/autoapi/data/oc/experimental/perturb_systems/index.rst
@@ -1,21 +1,19 @@
-:py:mod:`data.oc.experimental.perturb_systems`
-==============================================
+data.oc.experimental.perturb_systems
+====================================
 
 .. py:module:: data.oc.experimental.perturb_systems
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    data.oc.experimental.perturb_systems.main
 
 
+Module Contents
+---------------
 
 .. py:function:: main()
 
diff --git a/_sources/autoapi/data/oc/experimental/rattle_test/index.rst b/_sources/autoapi/data/oc/experimental/rattle_test/index.rst
index 4d837262b..e72539fc1 100644
--- a/_sources/autoapi/data/oc/experimental/rattle_test/index.rst
+++ b/_sources/autoapi/data/oc/experimental/rattle_test/index.rst
@@ -1,21 +1,19 @@
-:py:mod:`data.oc.experimental.rattle_test`
-==========================================
+data.oc.experimental.rattle_test
+================================
 
 .. py:module:: data.oc.experimental.rattle_test
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    data.oc.experimental.rattle_test.main
 
 
+Module Contents
+---------------
 
 .. py:function:: main()
 
diff --git a/_sources/autoapi/data/oc/experimental/utils/index.rst b/_sources/autoapi/data/oc/experimental/utils/index.rst
index f40677b3c..2b13bbfef 100644
--- a/_sources/autoapi/data/oc/experimental/utils/index.rst
+++ b/_sources/autoapi/data/oc/experimental/utils/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`data.oc.experimental.utils`
-====================================
+data.oc.experimental.utils
+==========================
 
 .. py:module:: data.oc.experimental.utils
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -18,6 +14,8 @@ Functions
    data.oc.experimental.utils.plot_traj
 
 
+Module Contents
+---------------
 
 .. py:function:: v0_check(full_traj, initial)
 
diff --git a/_sources/autoapi/data/oc/index.rst b/_sources/autoapi/data/oc/index.rst
index 83c5bcc3f..4497af816 100644
--- a/_sources/autoapi/data/oc/index.rst
+++ b/_sources/autoapi/data/oc/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.oc`
-=================
+data.oc
+=======
 
 .. py:module:: data.oc
 
@@ -14,23 +14,31 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   core/index.rst
-   databases/index.rst
-   tests/index.rst
-   utils/index.rst
+   /autoapi/data/oc/core/index
+   /autoapi/data/oc/databases/index
+   /autoapi/data/oc/tests/index
+   /autoapi/data/oc/utils/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   structure_generator/index.rst
+   /autoapi/data/oc/structure_generator/index
+
+
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.__version__
 
 
 Package Contents
@@ -38,5 +46,3 @@ Package Contents
 
 .. py:data:: __version__
 
-   
-
diff --git a/_sources/autoapi/data/oc/scripts/precompute_sample_structures/index.rst b/_sources/autoapi/data/oc/scripts/precompute_sample_structures/index.rst
index d0d14b9eb..890546d45 100644
--- a/_sources/autoapi/data/oc/scripts/precompute_sample_structures/index.rst
+++ b/_sources/autoapi/data/oc/scripts/precompute_sample_structures/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.oc.scripts.precompute_sample_structures`
-======================================================
+data.oc.scripts.precompute_sample_structures
+============================================
 
 .. py:module:: data.oc.scripts.precompute_sample_structures
 
@@ -13,12 +13,20 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.scripts.precompute_sample_structures.__authors__
+   data.oc.scripts.precompute_sample_structures.__email__
+   data.oc.scripts.precompute_sample_structures.BULK_PKL
+   data.oc.scripts.precompute_sample_structures.MAX_MILLER
+   data.oc.scripts.precompute_sample_structures.s
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -29,38 +37,24 @@ Functions
    data.oc.scripts.precompute_sample_structures.precompute_enumerate_surface
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   data.oc.scripts.precompute_sample_structures.__authors__
-   data.oc.scripts.precompute_sample_structures.__email__
-   data.oc.scripts.precompute_sample_structures.BULK_PKL
-   data.oc.scripts.precompute_sample_structures.MAX_MILLER
-   data.oc.scripts.precompute_sample_structures.s
-
+Module Contents
+---------------
 
 .. py:data:: __authors__
    :value: ['Kevin Tran', 'Aini Palizhati', 'Siddharth Goyal', 'Zachary Ulissi']
 
-   
 
 .. py:data:: __email__
    :value: ['ktran@andrew.cmu.edu']
 
-   
 
 .. py:data:: BULK_PKL
    :value: '/fill/this/in/with/path/to/bulk/pkl/file'
 
-   
 
 .. py:data:: MAX_MILLER
    :value: 2
 
-   
 
 .. py:function:: enumerate_surfaces_for_saving(bulk_atoms, max_miller=MAX_MILLER)
 
@@ -131,8 +125,5 @@ Attributes
 
 .. py:function:: precompute_enumerate_surface(bulk_database, bulk_index, opfile)
 
-
 .. py:data:: s
 
-   
-
diff --git a/_sources/autoapi/data/oc/structure_generator/index.rst b/_sources/autoapi/data/oc/structure_generator/index.rst
index e59926ff1..1e5b636c0 100644
--- a/_sources/autoapi/data/oc/structure_generator/index.rst
+++ b/_sources/autoapi/data/oc/structure_generator/index.rst
@@ -1,23 +1,27 @@
-:py:mod:`data.oc.structure_generator`
-=====================================
+data.oc.structure_generator
+===========================
 
 .. py:module:: data.oc.structure_generator
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.structure_generator.args
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.structure_generator.StructureGenerator
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -27,18 +31,11 @@ Functions
    data.oc.structure_generator.run_placements
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   data.oc.structure_generator.args
-
+Module Contents
+---------------
 
 .. py:class:: StructureGenerator(args, bulk_index, surface_index, adsorbate_index)
 
-
    A class that creates adsorbate/bulk/slab objects given specified indices,
    and writes vasp input files and metadata for multiple placements of the adsorbate
    on the slab. You can choose random, heuristic, or both types of placements.
@@ -73,12 +70,14 @@ Attributes
    :param adsorbate_index: Index of the adsorbate within the adsorbate db
    :type adsorbate_index: int
 
+
    .. py:method:: run()
 
       Create adsorbate/bulk/surface objects, generate adslab placements,
       and write to files.
 
 
+
    .. py:method:: _write_adslabs(adslab_obj, mode_str)
 
       Write one set of adslabs (called separately for random and heurstic placements)
@@ -92,14 +91,9 @@ Attributes
 
 .. py:function:: parse_args()
 
-
 .. py:function:: precompute_slabs(bulk_ind)
 
-
 .. py:function:: run_placements(inputs)
 
-
 .. py:data:: args
 
-   
-
diff --git a/_sources/autoapi/data/oc/tests/index.rst b/_sources/autoapi/data/oc/tests/index.rst
index 9ee993dad..b3d9ebb9c 100644
--- a/_sources/autoapi/data/oc/tests/index.rst
+++ b/_sources/autoapi/data/oc/tests/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.oc.tests`
-=======================
+data.oc.tests
+=============
 
 .. py:module:: data.oc.tests
 
diff --git a/_sources/autoapi/data/oc/utils/flag_anomaly/index.rst b/_sources/autoapi/data/oc/utils/flag_anomaly/index.rst
index 9e77d6a61..0e71f1b14 100644
--- a/_sources/autoapi/data/oc/utils/flag_anomaly/index.rst
+++ b/_sources/autoapi/data/oc/utils/flag_anomaly/index.rst
@@ -1,25 +1,22 @@
-:py:mod:`data.oc.utils.flag_anomaly`
-====================================
+data.oc.utils.flag_anomaly
+==========================
 
 .. py:module:: data.oc.utils.flag_anomaly
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.utils.flag_anomaly.DetectTrajAnomaly
 
 
-
+Module Contents
+---------------
 
 .. py:class:: DetectTrajAnomaly(init_atoms, final_atoms, atoms_tag, final_slab_atoms=None, surface_change_cutoff_multiplier=1.5, desorption_cutoff_multiplier=1.5)
 
-
    .. py:method:: is_adsorbate_dissociated()
 
       Tests if the initial adsorbate connectivity is maintained.
@@ -28,6 +25,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: has_surface_changed()
 
       Tests bond breaking / forming events within a tolerance on the surface so
@@ -38,6 +36,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: is_adsorbate_desorbed()
 
       If the adsorbate binding atoms have no connection with slab atoms,
@@ -47,6 +46,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: _get_connectivity(atoms, cutoff_multiplier=1.0)
 
       Generate the connectivity of an atoms obj.
@@ -61,6 +61,7 @@ Classes
       :rtype: (np.ndarray)
 
 
+
    .. py:method:: is_adsorbate_intercalated()
 
       Ensure the adsorbate isn't interacting with an atom that is not allowed to relax.
diff --git a/_sources/autoapi/data/oc/utils/index.rst b/_sources/autoapi/data/oc/utils/index.rst
index 55f044ea0..f15262ca6 100644
--- a/_sources/autoapi/data/oc/utils/index.rst
+++ b/_sources/autoapi/data/oc/utils/index.rst
@@ -1,35 +1,32 @@
-:py:mod:`data.oc.utils`
-=======================
+data.oc.utils
+=============
 
 .. py:module:: data.oc.utils
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   flag_anomaly/index.rst
-   vasp/index.rst
-
+   /autoapi/data/oc/utils/flag_anomaly/index
+   /autoapi/data/oc/utils/vasp/index
 
-Package Contents
-----------------
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    data.oc.utils.DetectTrajAnomaly
 
 
-
+Package Contents
+----------------
 
 .. py:class:: DetectTrajAnomaly(init_atoms, final_atoms, atoms_tag, final_slab_atoms=None, surface_change_cutoff_multiplier=1.5, desorption_cutoff_multiplier=1.5)
 
-
    .. py:method:: is_adsorbate_dissociated()
 
       Tests if the initial adsorbate connectivity is maintained.
@@ -38,6 +35,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: has_surface_changed()
 
       Tests bond breaking / forming events within a tolerance on the surface so
@@ -48,6 +46,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: is_adsorbate_desorbed()
 
       If the adsorbate binding atoms have no connection with slab atoms,
@@ -57,6 +56,7 @@ Classes
       :rtype: (bool)
 
 
+
    .. py:method:: _get_connectivity(atoms, cutoff_multiplier=1.0)
 
       Generate the connectivity of an atoms obj.
@@ -71,6 +71,7 @@ Classes
       :rtype: (np.ndarray)
 
 
+
    .. py:method:: is_adsorbate_intercalated()
 
       Ensure the adsorbate isn't interacting with an atom that is not allowed to relax.
diff --git a/_sources/autoapi/data/oc/utils/vasp/index.rst b/_sources/autoapi/data/oc/utils/vasp/index.rst
index 9fac178ee..d226172df 100644
--- a/_sources/autoapi/data/oc/utils/vasp/index.rst
+++ b/_sources/autoapi/data/oc/utils/vasp/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.oc.utils.vasp`
-============================
+data.oc.utils.vasp
+==================
 
 .. py:module:: data.oc.utils.vasp
 
@@ -12,12 +12,19 @@
 
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.oc.utils.vasp.__author__
+   data.oc.utils.vasp.__email__
+   data.oc.utils.vasp.VASP_FLAGS
+   data.oc.utils.vasp.BULK_VASP_FLAGS
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -26,36 +33,21 @@ Functions
    data.oc.utils.vasp.write_vasp_input_files
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   data.oc.utils.vasp.__author__
-   data.oc.utils.vasp.__email__
-   data.oc.utils.vasp.VASP_FLAGS
-   data.oc.utils.vasp.BULK_VASP_FLAGS
-
+Module Contents
+---------------
 
 .. py:data:: __author__
    :value: 'Kevin Tran'
 
-   
 
 .. py:data:: __email__
    :value: 'ktran@andrew.cmu.edu'
 
-   
 
 .. py:data:: VASP_FLAGS
 
-   
-
 .. py:data:: BULK_VASP_FLAGS
 
-   
-
 .. py:function:: _clean_up_inputs(atoms, vasp_flags)
 
    Parses the inputs and makes sure some things are straightened out.
diff --git a/_sources/autoapi/data/odac/force_field/FF_analysis/index.rst b/_sources/autoapi/data/odac/force_field/FF_analysis/index.rst
index 97bfda83e..000449256 100644
--- a/_sources/autoapi/data/odac/force_field/FF_analysis/index.rst
+++ b/_sources/autoapi/data/odac/force_field/FF_analysis/index.rst
@@ -1,15 +1,19 @@
-:py:mod:`data.odac.force_field.FF_analysis`
-===========================================
+data.odac.force_field.FF_analysis
+=================================
 
 .. py:module:: data.odac.force_field.FF_analysis
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.odac.force_field.FF_analysis.infile
 
 
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -24,44 +28,28 @@ Functions
    data.odac.force_field.FF_analysis.chem_err
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   data.odac.force_field.FF_analysis.infile
-
+Module Contents
+---------------
 
 .. py:function:: get_data(infile, limit=2)
 
-
 .. py:function:: binned_average(DFT_ads, pred_err, bins)
 
-
 .. py:function:: bin_plot(ax, bins, heights, **kwargs)
 
-
 .. py:function:: get_Fig4a(raw_error_CO2, raw_error_H2O, b=20, outfile='Fig5a.png')
 
-
 .. py:function:: get_Fig4b(int_DFT_CO2, err_CO2, int_DFT_H2O, err_H2O, outfile='Fig5b.png')
 
-
 .. py:function:: get_Fig4c(DFT_CO2, err_CO2, outfile='Fig5c.png')
 
-
 .. py:function:: get_Fig4d(DFT_H2O, err_H2O, outfile='Fig5d.png')
 
-
 .. py:function:: phys_err(DFT, FF)
 
-
 .. py:function:: chem_err(DFT, FF)
 
-
 .. py:data:: infile
    :value: '/storage/home/hcoda1/8/lbrabson3/p-amedford6-0/s2ef/final/data_w_oms.json'
 
-   
 
diff --git a/_sources/autoapi/data/odac/index.rst b/_sources/autoapi/data/odac/index.rst
index 020f66de6..aeaed6467 100644
--- a/_sources/autoapi/data/odac/index.rst
+++ b/_sources/autoapi/data/odac/index.rst
@@ -1,6 +1,15 @@
-:py:mod:`data.odac`
-===================
+data.odac
+=========
 
 .. py:module:: data.odac
 
 
+Submodules
+----------
+
+.. toctree::
+   :maxdepth: 1
+
+   /autoapi/data/odac/setup_vasp/index
+
+
diff --git a/_sources/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.rst b/_sources/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.rst
index 678b3db9e..7cb37b9bb 100644
--- a/_sources/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.rst
+++ b/_sources/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.rst
@@ -1,208 +1,169 @@
-:py:mod:`data.odac.promising_mof.promising_mof_energies.energy`
-===============================================================
+data.odac.promising_mof.promising_mof_energies.energy
+=====================================================
 
 .. py:module:: data.odac.promising_mof.promising_mof_energies.energy
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.odac.promising_mof.promising_mof_energies.energy.raw_ads_energy_data
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data
+   data.odac.promising_mof.promising_mof_energies.energy.temp_split_string
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_co2
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_h2o
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_co_ads
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_co_ads_2
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co2
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_h2o
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads
+   data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads_2
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data
+   data.odac.promising_mof.promising_mof_energies.energy.count
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2_defective
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o_defective
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_defective
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2_defective
+   data.odac.promising_mof.promising_mof_energies.energy.current_entry
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective
+   data.odac.promising_mof.promising_mof_energies.energy.unique_combinations_count
+   data.odac.promising_mof.promising_mof_energies.energy.def_counts_df
+   data.odac.promising_mof.promising_mof_energies.energy.mof_name
+   data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC
+   data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_pristine
+   data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_defective
+   data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_pristine
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data
+   data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_defective
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data
+   data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective
+   data.odac.promising_mof.promising_mof_energies.energy.promising_pristine
+   data.odac.promising_mof.promising_mof_energies.energy.promising_defective
+
+
 Module Contents
 ---------------
 
 .. py:data:: raw_ads_energy_data
 
-   
-
 .. py:data:: complete_data
 
-   
-
 .. py:data:: temp_split_string
 
-   
-
 .. py:data:: complete_data
 
-   
-
 .. py:data:: complete_data_merged_pristine
 
-   
-
 .. py:data:: complete_data_merged_pristine
 
-   
-
 .. py:data:: complete_data_merged_defective
 
-   
-
 .. py:data:: complete_data_merged_defective
 
-   
-
 .. py:data:: complete_data_merged_pristine_co2
 
-   
-
 .. py:data:: complete_data_merged_pristine_h2o
 
-   
-
 .. py:data:: complete_data_merged_pristine_co_ads
 
-   
-
 .. py:data:: complete_data_merged_pristine_co_ads_2
 
-   
-
 .. py:data:: complete_data_merged_defective_co2
 
-   
-
 .. py:data:: complete_data_merged_defective_h2o
 
-   
-
 .. py:data:: complete_data_merged_defective_co_ads
 
-   
-
 .. py:data:: complete_data_merged_defective_co_ads_2
 
-   
-
 .. py:data:: lowest_energy_data_co2
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_h2o
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_co_ads
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_co_ads_2
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: adsorption_data
 
-   
-
 .. py:data:: count
    :value: 0
 
-   
 
 .. py:data:: lowest_energy_data_co2_defective
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_h2o_defective
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_co_ads_defective
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: lowest_energy_data_co_ads_2_defective
 
-   
-
 .. py:data:: current_entry
 
-   
-
 .. py:data:: adsorption_data_defective
 
-   
-
 .. py:data:: unique_combinations_count
 
-   
-
 .. py:data:: def_counts_df
 
-   
-
 .. py:data:: mof_name
 
-   
-
 .. py:data:: missing_DDEC
 
-   
-
 .. py:data:: missing_DDEC_pristine
 
-   
-
 .. py:data:: missing_DDEC_defective
 
-   
-
 .. py:data:: index_drop_ddec_pristine
    :value: []
 
-   
 
 .. py:data:: adsorption_data
 
-   
-
 .. py:data:: index_drop_ddec_defective
    :value: []
 
-   
 
 .. py:data:: adsorption_data_defective
 
-   
-
 .. py:data:: adsorption_data
 
-   
-
 .. py:data:: adsorption_data_defective
 
-   
-
 .. py:data:: promising_pristine
 
-   
-
 .. py:data:: promising_defective
 
-   
-
diff --git a/_sources/autoapi/data/odac/setup_vasp/index.rst b/_sources/autoapi/data/odac/setup_vasp/index.rst
new file mode 100644
index 000000000..1c2275750
--- /dev/null
+++ b/_sources/autoapi/data/odac/setup_vasp/index.rst
@@ -0,0 +1,39 @@
+data.odac.setup_vasp
+====================
+
+.. py:module:: data.odac.setup_vasp
+
+
+Attributes
+----------
+
+.. autoapisummary::
+
+   data.odac.setup_vasp.mof
+
+
+Functions
+---------
+
+.. autoapisummary::
+
+   data.odac.setup_vasp.setup_vasp_calc_mof
+   data.odac.setup_vasp.setup_vasp_mof_and_ads
+
+
+Module Contents
+---------------
+
+.. py:function:: setup_vasp_calc_mof(atoms: ase.Atoms, path: pathlib.Path)
+
+   Create a VASP calculator for MOF relaxation and write VASP input files to path.
+
+
+.. py:function:: setup_vasp_mof_and_ads(atoms: ase.Atoms, path: pathlib.Path)
+
+   Create a VASP calculator for MOF + Adsorbate(s) relaxation and write VASP input files to path.
+   For these relaxations, the MOF has already been pre-relaxed.
+
+
+.. py:data:: mof
+
diff --git a/_sources/autoapi/data/om/biomolecules/geom/sample_geom_drugs/index.rst b/_sources/autoapi/data/om/biomolecules/geom/sample_geom_drugs/index.rst
index 5f4233c69..1b2451a76 100644
--- a/_sources/autoapi/data/om/biomolecules/geom/sample_geom_drugs/index.rst
+++ b/_sources/autoapi/data/om/biomolecules/geom/sample_geom_drugs/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`data.om.biomolecules.geom.sample_geom_drugs`
-=====================================================
+data.om.biomolecules.geom.sample_geom_drugs
+===========================================
 
 .. py:module:: data.om.biomolecules.geom.sample_geom_drugs
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -18,13 +14,12 @@ Functions
    data.om.biomolecules.geom.sample_geom_drugs.main
 
 
+Module Contents
+---------------
 
 .. py:function:: write_pickle(data, path)
 
-
 .. py:function:: parse_args()
 
-
 .. py:function:: main()
 
-
diff --git a/_sources/autoapi/data/om/biomolecules/geom/write_geom_drugs_structures/index.rst b/_sources/autoapi/data/om/biomolecules/geom/write_geom_drugs_structures/index.rst
index 15ca16683..0263dbd0c 100644
--- a/_sources/autoapi/data/om/biomolecules/geom/write_geom_drugs_structures/index.rst
+++ b/_sources/autoapi/data/om/biomolecules/geom/write_geom_drugs_structures/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`data.om.biomolecules.geom.write_geom_drugs_structures`
-===============================================================
+data.om.biomolecules.geom.write_geom_drugs_structures
+=====================================================
 
 .. py:module:: data.om.biomolecules.geom.write_geom_drugs_structures
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,10 +13,10 @@ Functions
    data.om.biomolecules.geom.write_geom_drugs_structures.main
 
 
+Module Contents
+---------------
 
 .. py:function:: parse_args()
 
-
 .. py:function:: main()
 
-
diff --git a/_sources/autoapi/data/om/index.rst b/_sources/autoapi/data/om/index.rst
index 3c6e2a4ca..bb895dee1 100644
--- a/_sources/autoapi/data/om/index.rst
+++ b/_sources/autoapi/data/om/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`data.om`
-=================
+data.om
+=======
 
 .. py:module:: data.om
 
diff --git a/_sources/autoapi/data/om/omdata/orca/calc/index.rst b/_sources/autoapi/data/om/omdata/orca/calc/index.rst
index 136395ad8..c63e1cf9c 100644
--- a/_sources/autoapi/data/om/omdata/orca/calc/index.rst
+++ b/_sources/autoapi/data/om/omdata/orca/calc/index.rst
@@ -1,24 +1,11 @@
-:py:mod:`data.om.omdata.orca.calc`
-==================================
+data.om.omdata.orca.calc
+========================
 
 .. py:module:: data.om.omdata.orca.calc
 
 
-Module Contents
----------------
-
-
-Functions
-~~~~~~~~~
-
-.. autoapisummary::
-
-   data.om.omdata.orca.calc.write_orca_inputs
-
-
-
 Attributes
-~~~~~~~~~~
+----------
 
 .. autoapisummary::
 
@@ -30,34 +17,37 @@ Attributes
    data.om.omdata.orca.calc.OPT_PARAMETERS
 
 
+Functions
+---------
+
+.. autoapisummary::
+
+   data.om.omdata.orca.calc.write_orca_inputs
+
+
+Module Contents
+---------------
+
 .. py:data:: ORCA_FUNCTIONAL
    :value: 'wB97M-V'
 
-   
 
 .. py:data:: ORCA_BASIS
    :value: 'def2-TZVPD'
 
-   
 
 .. py:data:: ORCA_SIMPLE_INPUT
    :value: ['EnGrad', 'RIJCOSX', 'def2/J', 'NoUseSym', 'DIIS', 'NOSOSCF', 'NormalConv', 'DEFGRID3', 'ALLPOP', 'NBO']
 
-   
 
 .. py:data:: ORCA_BLOCKS
    :value: ['%scf Convergence Tight maxiter 300 end', '%elprop Dipole true Quadrupole true end', '%nbo...
 
-   
 
 .. py:data:: ORCA_ASE_SIMPLE_INPUT
 
-   
-
 .. py:data:: OPT_PARAMETERS
 
-   
-
 .. py:function:: write_orca_inputs(atoms, output_directory, charge=0, mult=1, orcasimpleinput=ORCA_ASE_SIMPLE_INPUT, orcablocks=' '.join(ORCA_BLOCKS))
 
    One-off method to be used if you wanted to write inputs for an arbitrary
diff --git a/_sources/autoapi/data/om/omdata/orca/index.rst b/_sources/autoapi/data/om/omdata/orca/index.rst
index cf1133587..4eadd7c41 100644
--- a/_sources/autoapi/data/om/omdata/orca/index.rst
+++ b/_sources/autoapi/data/om/omdata/orca/index.rst
@@ -1,16 +1,16 @@
-:py:mod:`data.om.omdata.orca`
-=============================
+data.om.omdata.orca
+===================
 
 .. py:module:: data.om.omdata.orca
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   calc/index.rst
-   recipes/index.rst
+   /autoapi/data/om/omdata/orca/calc/index
+   /autoapi/data/om/omdata/orca/recipes/index
 
 
diff --git a/_sources/autoapi/data/om/omdata/orca/recipes/index.rst b/_sources/autoapi/data/om/omdata/orca/recipes/index.rst
index 4fa66ad21..ca2144785 100644
--- a/_sources/autoapi/data/om/omdata/orca/recipes/index.rst
+++ b/_sources/autoapi/data/om/omdata/orca/recipes/index.rst
@@ -1,15 +1,11 @@
-:py:mod:`data.om.omdata.orca.recipes`
-=====================================
+data.om.omdata.orca.recipes
+===========================
 
 .. py:module:: data.om.omdata.orca.recipes
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -17,6 +13,8 @@ Functions
    data.om.omdata.orca.recipes.ase_relaxation
 
 
+Module Contents
+---------------
 
 .. py:function:: single_point_calculation(atoms, charge, spin_multiplicity, xc=ORCA_FUNCTIONAL, basis=ORCA_BASIS, orcasimpleinput=None, orcablocks=None, nprocs=12, outputdir=os.getcwd(), **calc_kwargs)
 
diff --git a/_sources/autoapi/index.rst b/_sources/autoapi/index.rst
index 42464c111..6ca71e050 100644
--- a/_sources/autoapi/index.rst
+++ b/_sources/autoapi/index.rst
@@ -8,7 +8,7 @@ This page contains auto-generated API reference documentation [#f1]_.
 
    /autoapi/core/index
    /autoapi/data/index
-   /autoapi/cattsunami/index
    /autoapi/ocpapi/index
+   /autoapi/cattsunami/index
 
 .. [#f1] Created with `sphinx-autoapi <https://github.com/readthedocs/sphinx-autoapi>`_
\ No newline at end of file
diff --git a/_sources/autoapi/ocpapi/client/client/index.rst b/_sources/autoapi/ocpapi/client/client/index.rst
index e85120904..d0900f961 100644
--- a/_sources/autoapi/ocpapi/client/client/index.rst
+++ b/_sources/autoapi/ocpapi/client/client/index.rst
@@ -1,35 +1,43 @@
-:py:mod:`ocpapi.client.client`
-==============================
+ocpapi.client.client
+====================
 
 .. py:module:: ocpapi.client.client
 
 
-Module Contents
----------------
+Exceptions
+----------
+
+.. autoapisummary::
+
+   ocpapi.client.client.RequestException
+   ocpapi.client.client.NonRetryableRequestException
+   ocpapi.client.client.RateLimitExceededException
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
    ocpapi.client.client.Client
 
 
-
+Module Contents
+---------------
 
 .. py:exception:: RequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`Exception`
 
+
    Exception raised any time there is an error while making an API call.
 
 
 .. py:exception:: NonRetryableRequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected for a reason that will
    not succeed on retry. For example, this might include a malformed request
    or action that is not allowed.
@@ -37,9 +45,9 @@ Classes
 
 .. py:exception:: RateLimitExceededException(method: str, url: str, retry_after: Optional[datetime.timedelta] = None)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected because a rate limit has
    been exceeded.
 
@@ -51,17 +59,19 @@ Classes
 
 .. py:class:: Client(host: str = 'open-catalyst-api.metademolab.com', scheme: str = 'https')
 
-
    Exposes each route in the OCP API as a method.
 
+
    .. py:property:: host
       :type: str
 
       The host being called by this client.
 
+
    .. py:method:: get_models() -> ocpapi.client.models.Models
       :async:
 
+
       Fetch the list of models that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -74,9 +84,11 @@ Classes
       :returns: The models that are supported in the API.
 
 
+
    .. py:method:: get_bulks() -> ocpapi.client.models.Bulks
       :async:
 
+
       Fetch the list of bulk materials that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -89,9 +101,11 @@ Classes
       :returns: The bulks that are supported throughout the API.
 
 
+
    .. py:method:: get_adsorbates() -> ocpapi.client.models.Adsorbates
       :async:
 
+
       Fetch the list of adsorbates that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -104,9 +118,11 @@ Classes
       :returns: The adsorbates that are supported throughout the API.
 
 
+
    .. py:method:: get_slabs(bulk: Union[str, ocpapi.client.models.Bulk]) -> ocpapi.client.models.Slabs
       :async:
 
+
       Get a unique list of slabs for the input bulk structure.
 
       :param bulk: If a string, the id of the bulk to use. Otherwise the Bulk
@@ -122,9 +138,11 @@ Classes
       :returns: Slabs for each of the unique surfaces of the material.
 
 
+
    .. py:method:: get_adsorbate_slab_configs(adsorbate: str, slab: ocpapi.client.models.Slab) -> ocpapi.client.models.AdsorbateSlabConfigs
       :async:
 
+
       Get a list of possible binding sites for the input adsorbate on the
       input slab.
 
@@ -142,9 +160,11 @@ Classes
       :returns: Configurations for each adsorbate binding site on the slab.
 
 
+
    .. py:method:: submit_adsorbate_slab_relaxations(adsorbate: str, adsorbate_configs: List[ocpapi.client.models.Atoms], bulk: ocpapi.client.models.Bulk, slab: ocpapi.client.models.Slab, model: str, ephemeral: bool = False) -> ocpapi.client.models.AdsorbateSlabRelaxationsSystem
       :async:
 
+
       Starts relaxations of the input adsorbate configurations on the input
       slab using energies and forces returned by the input model. Relaxations
       are run asynchronously and results can be fetched using the system id
@@ -173,9 +193,11 @@ Classes
       :returns: IDs of the relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_request(system_id: str) -> ocpapi.client.models.AdsorbateSlabRelaxationsRequest
       :async:
 
+
       Fetches the original relaxations request for the input system.
 
       :param system_id: The ID of the system to fetch.
@@ -190,9 +212,11 @@ Classes
       :returns: The original request that was made when submitting relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None) -> ocpapi.client.models.AdsorbateSlabRelaxationsResults
       :async:
 
+
       Fetches relaxation results for the input system.
 
       :param system_id: The system id of the relaxations.
@@ -211,9 +235,11 @@ Classes
       :returns: The relaxation results for each configuration in the system.
 
 
+
    .. py:method:: delete_adsorbate_slab_relaxations(system_id: str) -> None
       :async:
 
+
       Deletes all relaxation results for the input system.
 
       :param system_id: The ID of the system to delete.
@@ -226,9 +252,11 @@ Classes
           is possible, though not guaranteed, that a retry could succeed.
 
 
+
    .. py:method:: _run_request(path: str, method: str, **kwargs) -> str
       :async:
 
+
       Helper method that runs the input request on a thread so that
       it doesn't block the event loop on the calling thread.
 
diff --git a/_sources/autoapi/ocpapi/client/index.rst b/_sources/autoapi/ocpapi/client/index.rst
index d7ee9111a..66ceafaa2 100644
--- a/_sources/autoapi/ocpapi/client/index.rst
+++ b/_sources/autoapi/ocpapi/client/index.rst
@@ -1,25 +1,32 @@
-:py:mod:`ocpapi.client`
-=======================
+ocpapi.client
+=============
 
 .. py:module:: ocpapi.client
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   client/index.rst
-   models/index.rst
-   ui/index.rst
+   /autoapi/ocpapi/client/client/index
+   /autoapi/ocpapi/client/models/index
+   /autoapi/ocpapi/client/ui/index
 
 
-Package Contents
-----------------
+Exceptions
+----------
+
+.. autoapisummary::
+
+   ocpapi.client.NonRetryableRequestException
+   ocpapi.client.RateLimitExceededException
+   ocpapi.client.RequestException
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -41,29 +48,32 @@ Classes
    ocpapi.client.Status
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    ocpapi.client.get_results_ui_url
 
 
+Package Contents
+----------------
 
 .. py:class:: Client(host: str = 'open-catalyst-api.metademolab.com', scheme: str = 'https')
 
-
    Exposes each route in the OCP API as a method.
 
+
    .. py:property:: host
       :type: str
 
       The host being called by this client.
 
+
    .. py:method:: get_models() -> ocpapi.client.models.Models
       :async:
 
+
       Fetch the list of models that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -76,9 +86,11 @@ Functions
       :returns: The models that are supported in the API.
 
 
+
    .. py:method:: get_bulks() -> ocpapi.client.models.Bulks
       :async:
 
+
       Fetch the list of bulk materials that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -91,9 +103,11 @@ Functions
       :returns: The bulks that are supported throughout the API.
 
 
+
    .. py:method:: get_adsorbates() -> ocpapi.client.models.Adsorbates
       :async:
 
+
       Fetch the list of adsorbates that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -106,9 +120,11 @@ Functions
       :returns: The adsorbates that are supported throughout the API.
 
 
+
    .. py:method:: get_slabs(bulk: Union[str, ocpapi.client.models.Bulk]) -> ocpapi.client.models.Slabs
       :async:
 
+
       Get a unique list of slabs for the input bulk structure.
 
       :param bulk: If a string, the id of the bulk to use. Otherwise the Bulk
@@ -124,9 +140,11 @@ Functions
       :returns: Slabs for each of the unique surfaces of the material.
 
 
+
    .. py:method:: get_adsorbate_slab_configs(adsorbate: str, slab: ocpapi.client.models.Slab) -> ocpapi.client.models.AdsorbateSlabConfigs
       :async:
 
+
       Get a list of possible binding sites for the input adsorbate on the
       input slab.
 
@@ -144,9 +162,11 @@ Functions
       :returns: Configurations for each adsorbate binding site on the slab.
 
 
+
    .. py:method:: submit_adsorbate_slab_relaxations(adsorbate: str, adsorbate_configs: List[ocpapi.client.models.Atoms], bulk: ocpapi.client.models.Bulk, slab: ocpapi.client.models.Slab, model: str, ephemeral: bool = False) -> ocpapi.client.models.AdsorbateSlabRelaxationsSystem
       :async:
 
+
       Starts relaxations of the input adsorbate configurations on the input
       slab using energies and forces returned by the input model. Relaxations
       are run asynchronously and results can be fetched using the system id
@@ -175,9 +195,11 @@ Functions
       :returns: IDs of the relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_request(system_id: str) -> ocpapi.client.models.AdsorbateSlabRelaxationsRequest
       :async:
 
+
       Fetches the original relaxations request for the input system.
 
       :param system_id: The ID of the system to fetch.
@@ -192,9 +214,11 @@ Functions
       :returns: The original request that was made when submitting relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None) -> ocpapi.client.models.AdsorbateSlabRelaxationsResults
       :async:
 
+
       Fetches relaxation results for the input system.
 
       :param system_id: The system id of the relaxations.
@@ -213,9 +237,11 @@ Functions
       :returns: The relaxation results for each configuration in the system.
 
 
+
    .. py:method:: delete_adsorbate_slab_relaxations(system_id: str) -> None
       :async:
 
+
       Deletes all relaxation results for the input system.
 
       :param system_id: The ID of the system to delete.
@@ -228,9 +254,11 @@ Functions
           is possible, though not guaranteed, that a retry could succeed.
 
 
+
    .. py:method:: _run_request(path: str, method: str, **kwargs) -> str
       :async:
 
+
       Helper method that runs the input request on a thread so that
       it doesn't block the event loop on the calling thread.
 
@@ -250,9 +278,9 @@ Functions
 
 .. py:exception:: NonRetryableRequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected for a reason that will
    not succeed on retry. For example, this might include a malformed request
    or action that is not allowed.
@@ -260,9 +288,9 @@ Functions
 
 .. py:exception:: RateLimitExceededException(method: str, url: str, retry_after: Optional[datetime.timedelta] = None)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected because a rate limit has
    been exceeded.
 
@@ -274,50 +302,53 @@ Functions
 
 .. py:exception:: RequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`Exception`
 
+
    Exception raised any time there is an error while making an API call.
 
 
 .. py:class:: Adsorbates
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch adsorbates supported in the
    API.
 
+
    .. py:attribute:: adsorbates_supported
-      :type: List[str]
+      :type:  List[str]
 
       List of adsorbates that can be used in the API.
 
 
 .. py:class:: AdsorbateSlabConfigs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch placements of a single
    absorbate on a slab.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of structures, each representing one possible adsorbate placement.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which the adsorbate is placed.
 
 
 .. py:class:: AdsorbateSlabRelaxationResult
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single adsorbate slab configuration, including
    outputs for the model used in relaxations.
 
@@ -325,66 +356,78 @@ Functions
    in order to limit the size of response payloads. Optional attributes will
    be defined only if they are including the response.
 
+
    .. py:attribute:: config_id
-      :type: int
+      :type:  int
 
       ID of the configuration within the system.
 
+
    .. py:attribute:: status
-      :type: Status
+      :type:  Status
 
       The status of the request for information about this configuration.
 
+
    .. py:attribute:: system_id
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The ID of the system in which the configuration was originally submitted.
 
+
    .. py:attribute:: cell
-      :type: Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
+      :type:  Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Optional[Tuple[bool, bool, bool]]
+      :type:  Optional[Tuple[bool, bool, bool]]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:attribute:: energy
-      :type: Optional[float]
+      :type:  Optional[float]
 
       The energy of the configuration.
 
+
    .. py:attribute:: energy_trajectory
-      :type: Optional[List[float]]
+      :type:  Optional[List[float]]
 
       The energy of the configuration at each point along the relaxation
       trajectory.
 
+
    .. py:attribute:: forces
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The forces on each atom in the relaxed structure.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -400,44 +443,51 @@ Functions
 
 .. py:class:: AdsorbateSlabRelaxationsRequest
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the request to submit a new batch of adsorbate slab relaxations.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of adsorbate placements being relaxed.
 
+
    .. py:attribute:: bulk
-      :type: Bulk
+      :type:  Bulk
 
       Information about the original bulk structure used to create the slab.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which adsorbates are placed.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the ML model being used during relaxations.
 
+
    .. py:attribute:: ephemeral
-      :type: Optional[bool]
+      :type:  Optional[bool]
 
       Whether the relaxations can be deleted (assume they cannot be deleted if
       None).
 
+
    .. py:attribute:: adsorbate_reaction
-      :type: Optional[str]
+      :type:  Optional[str]
 
       If possible, an html-formatted string describing the reaction will be added
       to this field.
@@ -445,20 +495,22 @@ Functions
 
 .. py:class:: AdsorbateSlabRelaxationsResults
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for results of adsorbate slab
    relaxations.
 
+
    .. py:attribute:: configs
-      :type: List[AdsorbateSlabRelaxationResult]
+      :type:  List[AdsorbateSlabRelaxationResult]
 
       List of configurations in the system, each representing one placement of
       an adsorbate on a slab surface.
 
+
    .. py:attribute:: omitted_config_ids
-      :type: List[int]
+      :type:  List[int]
 
       List of IDs of configurations that were requested but omitted by the
       server. Results for these IDs can be requested again.
@@ -466,20 +518,22 @@ Functions
 
 .. py:class:: AdsorbateSlabRelaxationsSystem
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to submit a new batch of adsorbate
    slab relaxations.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       Unique ID for this set of relaxations which can be used to fetch results
       later.
 
+
    .. py:attribute:: config_ids
-      :type: List[int]
+      :type:  List[int]
 
       The list of IDs assigned to each of the input adsorbate placements, in the
       same order in which they were submitted.
@@ -487,41 +541,47 @@ Functions
 
 .. py:class:: Atoms
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Subset of the fields from an ASE Atoms object that are used within this
    API.
 
+
    .. py:attribute:: cell
-      :type: Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
+      :type:  Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Tuple[bool, bool, bool]
+      :type:  Tuple[bool, bool, bool]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: List[int]
+      :type:  List[int]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: List[Tuple[float, float, float]]
+      :type:  List[Tuple[float, float, float]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: List[int]
+      :type:  List[int]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -533,109 +593,121 @@ Functions
 
 .. py:class:: Bulk
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single bulk material.
 
+
    .. py:attribute:: src_id
-      :type: str
+      :type:  str
 
       The ID of the material.
 
+
    .. py:attribute:: formula
-      :type: str
+      :type:  str
 
       The chemical formula of the material.
 
+
    .. py:attribute:: elements
-      :type: List[str]
+      :type:  List[str]
 
       The list of elements in the material.
 
 
 .. py:class:: Bulks
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch bulks supported in the API.
 
+
    .. py:attribute:: bulks_supported
-      :type: List[Bulk]
+      :type:  List[Bulk]
 
       List of bulks that can be used in the API.
 
 
 .. py:class:: Model
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single model supported in the API.
 
+
    .. py:attribute:: id
-      :type: str
+      :type:  str
 
       The ID of the model.
 
 
 .. py:class:: Models
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for models supported in the API.
 
+
    .. py:attribute:: models
-      :type: List[Model]
+      :type:  List[Model]
 
       The list of models that are supported.
 
 
 .. py:class:: Slab
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores all information about a slab that is returned from the API.
 
+
    .. py:attribute:: atoms
-      :type: Atoms
+      :type:  Atoms
 
       The structure of the slab.
 
+
    .. py:attribute:: metadata
-      :type: SlabMetadata
+      :type:  SlabMetadata
 
       Extra information about the slab.
 
 
 .. py:class:: SlabMetadata
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores metadata about a slab that is returned from the API.
 
+
    .. py:attribute:: bulk_src_id
-      :type: str
+      :type:  str
 
       The ID of the bulk material from which the slab was derived.
 
+
    .. py:attribute:: millers
-      :type: Tuple[int, int, int]
+      :type:  Tuple[int, int, int]
 
       The Miller indices of the slab relative to bulk structure.
 
+
    .. py:attribute:: shift
-      :type: float
+      :type:  float
 
       The position along the vector defined by the Miller indices at which a
       cut was taken to generate the slab surface.
 
+
    .. py:attribute:: top
-      :type: bool
+      :type:  bool
 
       If False, the top and bottom surfaces for this millers/shift pair are
       distinct and this slab represents the bottom surface.
@@ -643,46 +715,56 @@ Functions
 
 .. py:class:: Slabs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch slabs for a bulk structure.
 
+
    .. py:attribute:: slabs
-      :type: List[Slab]
+      :type:  List[Slab]
 
       The list of slabs that were generated from the input bulk structure.
 
 
 .. py:class:: Status(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Relaxation status of a single adsorbate placement on a slab.
 
+
    .. py:attribute:: NOT_AVAILABLE
       :value: 'not_available'
 
+
       The configuration exists but the result is not yet available. It is
       possible that checking again in the future could yield a result.
 
+
    .. py:attribute:: FAILED_RELAXATION
       :value: 'failed_relaxation'
 
+
       The relaxation failed for this configuration.
 
+
    .. py:attribute:: SUCCESS
       :value: 'success'
 
+
       The relaxation was successful and the requested information about the
       configuration was returned.
 
+
    .. py:attribute:: DOES_NOT_EXIST
       :value: 'does_not_exist'
 
+
       The requested configuration does not exist.
 
+
    .. py:method:: __str__() -> str
 
       Return str(self).
diff --git a/_sources/autoapi/ocpapi/client/models/index.rst b/_sources/autoapi/ocpapi/client/models/index.rst
index 9ec653d38..c70ce2cd2 100644
--- a/_sources/autoapi/ocpapi/client/models/index.rst
+++ b/_sources/autoapi/ocpapi/client/models/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`ocpapi.client.models`
-==============================
+ocpapi.client.models
+====================
 
 .. py:module:: ocpapi.client.models
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -30,15 +27,16 @@ Classes
    ocpapi.client.models.AdsorbateSlabRelaxationsResults
 
 
-
+Module Contents
+---------------
 
 .. py:class:: _DataModel
 
-
    Base class for all data models.
 
+
    .. py:attribute:: other_fields
-      :type: dataclasses_json.CatchAll
+      :type:  dataclasses_json.CatchAll
 
       Fields that may have been added to the API that all not yet supported
       explicitly in this class.
@@ -46,117 +44,130 @@ Classes
 
 .. py:class:: Model
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single model supported in the API.
 
+
    .. py:attribute:: id
-      :type: str
+      :type:  str
 
       The ID of the model.
 
 
 .. py:class:: Models
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for models supported in the API.
 
+
    .. py:attribute:: models
-      :type: List[Model]
+      :type:  List[Model]
 
       The list of models that are supported.
 
 
 .. py:class:: Bulk
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single bulk material.
 
+
    .. py:attribute:: src_id
-      :type: str
+      :type:  str
 
       The ID of the material.
 
+
    .. py:attribute:: formula
-      :type: str
+      :type:  str
 
       The chemical formula of the material.
 
+
    .. py:attribute:: elements
-      :type: List[str]
+      :type:  List[str]
 
       The list of elements in the material.
 
 
 .. py:class:: Bulks
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch bulks supported in the API.
 
+
    .. py:attribute:: bulks_supported
-      :type: List[Bulk]
+      :type:  List[Bulk]
 
       List of bulks that can be used in the API.
 
 
 .. py:class:: Adsorbates
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch adsorbates supported in the
    API.
 
+
    .. py:attribute:: adsorbates_supported
-      :type: List[str]
+      :type:  List[str]
 
       List of adsorbates that can be used in the API.
 
 
 .. py:class:: Atoms
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Subset of the fields from an ASE Atoms object that are used within this
    API.
 
+
    .. py:attribute:: cell
-      :type: Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
+      :type:  Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Tuple[bool, bool, bool]
+      :type:  Tuple[bool, bool, bool]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: List[int]
+      :type:  List[int]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: List[Tuple[float, float, float]]
+      :type:  List[Tuple[float, float, float]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: List[int]
+      :type:  List[int]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -168,29 +179,33 @@ Classes
 
 .. py:class:: SlabMetadata
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores metadata about a slab that is returned from the API.
 
+
    .. py:attribute:: bulk_src_id
-      :type: str
+      :type:  str
 
       The ID of the bulk material from which the slab was derived.
 
+
    .. py:attribute:: millers
-      :type: Tuple[int, int, int]
+      :type:  Tuple[int, int, int]
 
       The Miller indices of the slab relative to bulk structure.
 
+
    .. py:attribute:: shift
-      :type: float
+      :type:  float
 
       The position along the vector defined by the Miller indices at which a
       cut was taken to generate the slab surface.
 
+
    .. py:attribute:: top
-      :type: bool
+      :type:  bool
 
       If False, the top and bottom surfaces for this millers/shift pair are
       distinct and this slab represents the bottom surface.
@@ -198,70 +213,77 @@ Classes
 
 .. py:class:: Slab
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores all information about a slab that is returned from the API.
 
+
    .. py:attribute:: atoms
-      :type: Atoms
+      :type:  Atoms
 
       The structure of the slab.
 
+
    .. py:attribute:: metadata
-      :type: SlabMetadata
+      :type:  SlabMetadata
 
       Extra information about the slab.
 
 
 .. py:class:: Slabs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch slabs for a bulk structure.
 
+
    .. py:attribute:: slabs
-      :type: List[Slab]
+      :type:  List[Slab]
 
       The list of slabs that were generated from the input bulk structure.
 
 
 .. py:class:: AdsorbateSlabConfigs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch placements of a single
    absorbate on a slab.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of structures, each representing one possible adsorbate placement.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which the adsorbate is placed.
 
 
 .. py:class:: AdsorbateSlabRelaxationsSystem
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to submit a new batch of adsorbate
    slab relaxations.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       Unique ID for this set of relaxations which can be used to fetch results
       later.
 
+
    .. py:attribute:: config_ids
-      :type: List[int]
+      :type:  List[int]
 
       The list of IDs assigned to each of the input adsorbate placements, in the
       same order in which they were submitted.
@@ -269,44 +291,51 @@ Classes
 
 .. py:class:: AdsorbateSlabRelaxationsRequest
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the request to submit a new batch of adsorbate slab relaxations.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of adsorbate placements being relaxed.
 
+
    .. py:attribute:: bulk
-      :type: Bulk
+      :type:  Bulk
 
       Information about the original bulk structure used to create the slab.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which adsorbates are placed.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the ML model being used during relaxations.
 
+
    .. py:attribute:: ephemeral
-      :type: Optional[bool]
+      :type:  Optional[bool]
 
       Whether the relaxations can be deleted (assume they cannot be deleted if
       None).
 
+
    .. py:attribute:: adsorbate_reaction
-      :type: Optional[str]
+      :type:  Optional[str]
 
       If possible, an html-formatted string describing the reaction will be added
       to this field.
@@ -314,33 +343,42 @@ Classes
 
 .. py:class:: Status(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Relaxation status of a single adsorbate placement on a slab.
 
+
    .. py:attribute:: NOT_AVAILABLE
       :value: 'not_available'
 
+
       The configuration exists but the result is not yet available. It is
       possible that checking again in the future could yield a result.
 
+
    .. py:attribute:: FAILED_RELAXATION
       :value: 'failed_relaxation'
 
+
       The relaxation failed for this configuration.
 
+
    .. py:attribute:: SUCCESS
       :value: 'success'
 
+
       The relaxation was successful and the requested information about the
       configuration was returned.
 
+
    .. py:attribute:: DOES_NOT_EXIST
       :value: 'does_not_exist'
 
+
       The requested configuration does not exist.
 
+
    .. py:method:: __str__() -> str
 
       Return str(self).
@@ -349,9 +387,9 @@ Classes
 
 .. py:class:: AdsorbateSlabRelaxationResult
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single adsorbate slab configuration, including
    outputs for the model used in relaxations.
 
@@ -359,66 +397,78 @@ Classes
    in order to limit the size of response payloads. Optional attributes will
    be defined only if they are including the response.
 
+
    .. py:attribute:: config_id
-      :type: int
+      :type:  int
 
       ID of the configuration within the system.
 
+
    .. py:attribute:: status
-      :type: Status
+      :type:  Status
 
       The status of the request for information about this configuration.
 
+
    .. py:attribute:: system_id
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The ID of the system in which the configuration was originally submitted.
 
+
    .. py:attribute:: cell
-      :type: Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
+      :type:  Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Optional[Tuple[bool, bool, bool]]
+      :type:  Optional[Tuple[bool, bool, bool]]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:attribute:: energy
-      :type: Optional[float]
+      :type:  Optional[float]
 
       The energy of the configuration.
 
+
    .. py:attribute:: energy_trajectory
-      :type: Optional[List[float]]
+      :type:  Optional[List[float]]
 
       The energy of the configuration at each point along the relaxation
       trajectory.
 
+
    .. py:attribute:: forces
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The forces on each atom in the relaxed structure.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -434,20 +484,22 @@ Classes
 
 .. py:class:: AdsorbateSlabRelaxationsResults
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for results of adsorbate slab
    relaxations.
 
+
    .. py:attribute:: configs
-      :type: List[AdsorbateSlabRelaxationResult]
+      :type:  List[AdsorbateSlabRelaxationResult]
 
       List of configurations in the system, each representing one placement of
       an adsorbate on a slab surface.
 
+
    .. py:attribute:: omitted_config_ids
-      :type: List[int]
+      :type:  List[int]
 
       List of IDs of configurations that were requested but omitted by the
       server. Results for these IDs can be requested again.
diff --git a/_sources/autoapi/ocpapi/client/ui/index.rst b/_sources/autoapi/ocpapi/client/ui/index.rst
index 36ab6e630..c07f46577 100644
--- a/_sources/autoapi/ocpapi/client/ui/index.rst
+++ b/_sources/autoapi/ocpapi/client/ui/index.rst
@@ -1,34 +1,30 @@
-:py:mod:`ocpapi.client.ui`
-==========================
+ocpapi.client.ui
+================
 
 .. py:module:: ocpapi.client.ui
 
 
-Module Contents
----------------
-
-
-Functions
-~~~~~~~~~
+Attributes
+----------
 
 .. autoapisummary::
 
-   ocpapi.client.ui.get_results_ui_url
-
+   ocpapi.client.ui._API_TO_UI_HOSTS
 
 
-Attributes
-~~~~~~~~~~
+Functions
+---------
 
 .. autoapisummary::
 
-   ocpapi.client.ui._API_TO_UI_HOSTS
+   ocpapi.client.ui.get_results_ui_url
 
 
-.. py:data:: _API_TO_UI_HOSTS
-   :type: Dict[str, str]
+Module Contents
+---------------
 
-   
+.. py:data:: _API_TO_UI_HOSTS
+   :type:  Dict[str, str]
 
 .. py:function:: get_results_ui_url(api_host: str, system_id: str) -> Optional[str]
 
diff --git a/_sources/autoapi/ocpapi/index.rst b/_sources/autoapi/ocpapi/index.rst
index 7dff8b169..7efebec75 100644
--- a/_sources/autoapi/ocpapi/index.rst
+++ b/_sources/autoapi/ocpapi/index.rst
@@ -1,5 +1,5 @@
-:py:mod:`ocpapi`
-================
+ocpapi
+======
 
 .. py:module:: ocpapi
 
@@ -14,28 +14,48 @@
 
 Subpackages
 -----------
+
 .. toctree::
-   :titlesonly:
-   :maxdepth: 3
+   :maxdepth: 1
 
-   client/index.rst
-   workflows/index.rst
+   /autoapi/ocpapi/client/index
+   /autoapi/ocpapi/workflows/index
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   version/index.rst
+   /autoapi/ocpapi/version/index
 
 
-Package Contents
-----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.__version__
+   ocpapi.NO_LIMIT
+   ocpapi.NoLimitType
+
+
+Exceptions
+----------
+
+.. autoapisummary::
+
+   ocpapi.NonRetryableRequestException
+   ocpapi.RateLimitExceededException
+   ocpapi.RequestException
+   ocpapi.UnsupportedAdsorbateException
+   ocpapi.UnsupportedBulkException
+   ocpapi.UnsupportedModelException
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -64,9 +84,8 @@ Classes
    ocpapi.RateLimitLogging
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -77,34 +96,26 @@ Functions
    ocpapi.retry_api_calls
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpapi.__version__
-   ocpapi.NO_LIMIT
-   ocpapi.NoLimitType
-
+Package Contents
+----------------
 
 .. py:data:: __version__
 
-   
-
 .. py:class:: Client(host: str = 'open-catalyst-api.metademolab.com', scheme: str = 'https')
 
-
    Exposes each route in the OCP API as a method.
 
+
    .. py:property:: host
       :type: str
 
       The host being called by this client.
 
+
    .. py:method:: get_models() -> ocpapi.client.models.Models
       :async:
 
+
       Fetch the list of models that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -117,9 +128,11 @@ Attributes
       :returns: The models that are supported in the API.
 
 
+
    .. py:method:: get_bulks() -> ocpapi.client.models.Bulks
       :async:
 
+
       Fetch the list of bulk materials that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -132,9 +145,11 @@ Attributes
       :returns: The bulks that are supported throughout the API.
 
 
+
    .. py:method:: get_adsorbates() -> ocpapi.client.models.Adsorbates
       :async:
 
+
       Fetch the list of adsorbates that are supported in the API.
 
       :raises RateLimitExceededException: If the call was rejected because a
@@ -147,9 +162,11 @@ Attributes
       :returns: The adsorbates that are supported throughout the API.
 
 
+
    .. py:method:: get_slabs(bulk: Union[str, ocpapi.client.models.Bulk]) -> ocpapi.client.models.Slabs
       :async:
 
+
       Get a unique list of slabs for the input bulk structure.
 
       :param bulk: If a string, the id of the bulk to use. Otherwise the Bulk
@@ -165,9 +182,11 @@ Attributes
       :returns: Slabs for each of the unique surfaces of the material.
 
 
+
    .. py:method:: get_adsorbate_slab_configs(adsorbate: str, slab: ocpapi.client.models.Slab) -> ocpapi.client.models.AdsorbateSlabConfigs
       :async:
 
+
       Get a list of possible binding sites for the input adsorbate on the
       input slab.
 
@@ -185,9 +204,11 @@ Attributes
       :returns: Configurations for each adsorbate binding site on the slab.
 
 
+
    .. py:method:: submit_adsorbate_slab_relaxations(adsorbate: str, adsorbate_configs: List[ocpapi.client.models.Atoms], bulk: ocpapi.client.models.Bulk, slab: ocpapi.client.models.Slab, model: str, ephemeral: bool = False) -> ocpapi.client.models.AdsorbateSlabRelaxationsSystem
       :async:
 
+
       Starts relaxations of the input adsorbate configurations on the input
       slab using energies and forces returned by the input model. Relaxations
       are run asynchronously and results can be fetched using the system id
@@ -216,9 +237,11 @@ Attributes
       :returns: IDs of the relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_request(system_id: str) -> ocpapi.client.models.AdsorbateSlabRelaxationsRequest
       :async:
 
+
       Fetches the original relaxations request for the input system.
 
       :param system_id: The ID of the system to fetch.
@@ -233,9 +256,11 @@ Attributes
       :returns: The original request that was made when submitting relaxations.
 
 
+
    .. py:method:: get_adsorbate_slab_relaxations_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None) -> ocpapi.client.models.AdsorbateSlabRelaxationsResults
       :async:
 
+
       Fetches relaxation results for the input system.
 
       :param system_id: The system id of the relaxations.
@@ -254,9 +279,11 @@ Attributes
       :returns: The relaxation results for each configuration in the system.
 
 
+
    .. py:method:: delete_adsorbate_slab_relaxations(system_id: str) -> None
       :async:
 
+
       Deletes all relaxation results for the input system.
 
       :param system_id: The ID of the system to delete.
@@ -269,9 +296,11 @@ Attributes
           is possible, though not guaranteed, that a retry could succeed.
 
 
+
    .. py:method:: _run_request(path: str, method: str, **kwargs) -> str
       :async:
 
+
       Helper method that runs the input request on a thread so that
       it doesn't block the event loop on the calling thread.
 
@@ -291,9 +320,9 @@ Attributes
 
 .. py:exception:: NonRetryableRequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected for a reason that will
    not succeed on retry. For example, this might include a malformed request
    or action that is not allowed.
@@ -301,9 +330,9 @@ Attributes
 
 .. py:exception:: RateLimitExceededException(method: str, url: str, retry_after: Optional[datetime.timedelta] = None)
 
-
    Bases: :py:obj:`RequestException`
 
+
    Exception raised when an API call is rejected because a rate limit has
    been exceeded.
 
@@ -315,50 +344,53 @@ Attributes
 
 .. py:exception:: RequestException(method: str, url: str, cause: str)
 
-
    Bases: :py:obj:`Exception`
 
+
    Exception raised any time there is an error while making an API call.
 
 
 .. py:class:: Adsorbates
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch adsorbates supported in the
    API.
 
+
    .. py:attribute:: adsorbates_supported
-      :type: List[str]
+      :type:  List[str]
 
       List of adsorbates that can be used in the API.
 
 
 .. py:class:: AdsorbateSlabConfigs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch placements of a single
    absorbate on a slab.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of structures, each representing one possible adsorbate placement.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which the adsorbate is placed.
 
 
 .. py:class:: AdsorbateSlabRelaxationResult
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single adsorbate slab configuration, including
    outputs for the model used in relaxations.
 
@@ -366,66 +398,78 @@ Attributes
    in order to limit the size of response payloads. Optional attributes will
    be defined only if they are including the response.
 
+
    .. py:attribute:: config_id
-      :type: int
+      :type:  int
 
       ID of the configuration within the system.
 
+
    .. py:attribute:: status
-      :type: Status
+      :type:  Status
 
       The status of the request for information about this configuration.
 
+
    .. py:attribute:: system_id
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The ID of the system in which the configuration was originally submitted.
 
+
    .. py:attribute:: cell
-      :type: Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
+      :type:  Optional[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Optional[Tuple[bool, bool, bool]]
+      :type:  Optional[Tuple[bool, bool, bool]]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: Optional[List[int]]
+      :type:  Optional[List[int]]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:attribute:: energy
-      :type: Optional[float]
+      :type:  Optional[float]
 
       The energy of the configuration.
 
+
    .. py:attribute:: energy_trajectory
-      :type: Optional[List[float]]
+      :type:  Optional[List[float]]
 
       The energy of the configuration at each point along the relaxation
       trajectory.
 
+
    .. py:attribute:: forces
-      :type: Optional[List[Tuple[float, float, float]]]
+      :type:  Optional[List[Tuple[float, float, float]]]
 
       The forces on each atom in the relaxed structure.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -441,44 +485,51 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxationsRequest
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the request to submit a new batch of adsorbate slab relaxations.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: adsorbate_configs
-      :type: List[Atoms]
+      :type:  List[Atoms]
 
       List of adsorbate placements being relaxed.
 
+
    .. py:attribute:: bulk
-      :type: Bulk
+      :type:  Bulk
 
       Information about the original bulk structure used to create the slab.
 
+
    .. py:attribute:: slab
-      :type: Slab
+      :type:  Slab
 
       The structure of the slab on which adsorbates are placed.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the ML model being used during relaxations.
 
+
    .. py:attribute:: ephemeral
-      :type: Optional[bool]
+      :type:  Optional[bool]
 
       Whether the relaxations can be deleted (assume they cannot be deleted if
       None).
 
+
    .. py:attribute:: adsorbate_reaction
-      :type: Optional[str]
+      :type:  Optional[str]
 
       If possible, an html-formatted string describing the reaction will be added
       to this field.
@@ -486,20 +537,22 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxationsResults
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for results of adsorbate slab
    relaxations.
 
+
    .. py:attribute:: configs
-      :type: List[AdsorbateSlabRelaxationResult]
+      :type:  List[AdsorbateSlabRelaxationResult]
 
       List of configurations in the system, each representing one placement of
       an adsorbate on a slab surface.
 
+
    .. py:attribute:: omitted_config_ids
-      :type: List[int]
+      :type:  List[int]
 
       List of IDs of configurations that were requested but omitted by the
       server. Results for these IDs can be requested again.
@@ -507,20 +560,22 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxationsSystem
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to submit a new batch of adsorbate
    slab relaxations.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       Unique ID for this set of relaxations which can be used to fetch results
       later.
 
+
    .. py:attribute:: config_ids
-      :type: List[int]
+      :type:  List[int]
 
       The list of IDs assigned to each of the input adsorbate placements, in the
       same order in which they were submitted.
@@ -528,41 +583,47 @@ Attributes
 
 .. py:class:: Atoms
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Subset of the fields from an ASE Atoms object that are used within this
    API.
 
+
    .. py:attribute:: cell
-      :type: Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
+      :type:  Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]
 
       3x3 matrix with unit cell vectors.
 
+
    .. py:attribute:: pbc
-      :type: Tuple[bool, bool, bool]
+      :type:  Tuple[bool, bool, bool]
 
       Whether the structure is periodic along the a, b, and c lattice vectors,
       respectively.
 
+
    .. py:attribute:: numbers
-      :type: List[int]
+      :type:  List[int]
 
       The atomic number of each atom in the unit cell.
 
+
    .. py:attribute:: positions
-      :type: List[Tuple[float, float, float]]
+      :type:  List[Tuple[float, float, float]]
 
       The coordinates of each atom in the unit cell, relative to the cartesian
       frame.
 
+
    .. py:attribute:: tags
-      :type: List[int]
+      :type:  List[int]
 
       Labels for each atom in the unit cell where 0 represents a subsurface atom
       (fixed during optimization), 1 represents a surface atom, and 2 represents
       an adsorbate atom.
 
+
    .. py:method:: to_ase_atoms() -> ase.Atoms
 
       Creates an ase.Atoms object with the positions, element numbers,
@@ -574,109 +635,121 @@ Attributes
 
 .. py:class:: Bulk
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single bulk material.
 
+
    .. py:attribute:: src_id
-      :type: str
+      :type:  str
 
       The ID of the material.
 
+
    .. py:attribute:: formula
-      :type: str
+      :type:  str
 
       The chemical formula of the material.
 
+
    .. py:attribute:: elements
-      :type: List[str]
+      :type:  List[str]
 
       The list of elements in the material.
 
 
 .. py:class:: Bulks
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch bulks supported in the API.
 
+
    .. py:attribute:: bulks_supported
-      :type: List[Bulk]
+      :type:  List[Bulk]
 
       List of bulks that can be used in the API.
 
 
 .. py:class:: Model
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores information about a single model supported in the API.
 
+
    .. py:attribute:: id
-      :type: str
+      :type:  str
 
       The ID of the model.
 
 
 .. py:class:: Models
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request for models supported in the API.
 
+
    .. py:attribute:: models
-      :type: List[Model]
+      :type:  List[Model]
 
       The list of models that are supported.
 
 
 .. py:class:: Slab
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores all information about a slab that is returned from the API.
 
+
    .. py:attribute:: atoms
-      :type: Atoms
+      :type:  Atoms
 
       The structure of the slab.
 
+
    .. py:attribute:: metadata
-      :type: SlabMetadata
+      :type:  SlabMetadata
 
       Extra information about the slab.
 
 
 .. py:class:: SlabMetadata
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores metadata about a slab that is returned from the API.
 
+
    .. py:attribute:: bulk_src_id
-      :type: str
+      :type:  str
 
       The ID of the bulk material from which the slab was derived.
 
+
    .. py:attribute:: millers
-      :type: Tuple[int, int, int]
+      :type:  Tuple[int, int, int]
 
       The Miller indices of the slab relative to bulk structure.
 
+
    .. py:attribute:: shift
-      :type: float
+      :type:  float
 
       The position along the vector defined by the Miller indices at which a
       cut was taken to generate the slab surface.
 
+
    .. py:attribute:: top
-      :type: bool
+      :type:  bool
 
       If False, the top and bottom surfaces for this millers/shift pair are
       distinct and this slab represents the bottom surface.
@@ -684,46 +757,56 @@ Attributes
 
 .. py:class:: Slabs
 
-
    Bases: :py:obj:`_DataModel`
 
+
    Stores the response from a request to fetch slabs for a bulk structure.
 
+
    .. py:attribute:: slabs
-      :type: List[Slab]
+      :type:  List[Slab]
 
       The list of slabs that were generated from the input bulk structure.
 
 
 .. py:class:: Status(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Relaxation status of a single adsorbate placement on a slab.
 
+
    .. py:attribute:: NOT_AVAILABLE
       :value: 'not_available'
 
+
       The configuration exists but the result is not yet available. It is
       possible that checking again in the future could yield a result.
 
+
    .. py:attribute:: FAILED_RELAXATION
       :value: 'failed_relaxation'
 
+
       The relaxation failed for this configuration.
 
+
    .. py:attribute:: SUCCESS
       :value: 'success'
 
+
       The relaxation was successful and the requested information about the
       configuration was returned.
 
+
    .. py:attribute:: DOES_NOT_EXIST
       :value: 'does_not_exist'
 
+
       The requested configuration does not exist.
 
+
    .. py:method:: __str__() -> str
 
       Return str(self).
@@ -744,27 +827,30 @@ Attributes
 
 .. py:class:: AdsorbateBindingSites
 
-
    Stores the inputs and results of a set of relaxations of adsorbate
    placements on the surface of a slab.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: bulk
-      :type: fairchem.demo.ocpapi.client.Bulk
+      :type:  fairchem.demo.ocpapi.client.Bulk
 
       The bulk material that was being modeled.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the model that was run.
 
+
    .. py:attribute:: slabs
-      :type: List[AdsorbateSlabRelaxations]
+      :type:  List[AdsorbateSlabRelaxations]
 
       The list of slabs that were generated from the bulk structure. Each
       contains its own list of adsorbate placements.
@@ -772,53 +858,60 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxations
 
-
    Stores the relaxations of adsorbate placements on the surface of a slab.
 
+
    .. py:attribute:: slab
-      :type: fairchem.demo.ocpapi.client.Slab
+      :type:  fairchem.demo.ocpapi.client.Slab
 
       The slab on which the adsorbate was placed.
 
+
    .. py:attribute:: configs
-      :type: List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
+      :type:  List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
 
       Details of the relaxation of each adsorbate placement, including the
       final position.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       The ID of the system that stores all of the relaxations.
 
+
    .. py:attribute:: api_host
-      :type: str
+      :type:  str
 
       The API host on which the relaxations were run.
 
+
    .. py:attribute:: ui_url
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The URL at which results can be visualized.
 
 
 .. py:class:: Lifetime(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Represents different lifetimes when running relaxations.
 
+
    .. py:attribute:: SAVE
 
       The relaxation will be available on API servers indefinitely. It will not
       be possible to delete the relaxation in the future.
 
+
    .. py:attribute:: MARK_EPHEMERAL
 
       The relaxation will be saved on API servers, but can be deleted at any time
       in the future.
 
+
    .. py:attribute:: DELETE
 
       The relaxation will be deleted from API servers as soon as the results have
@@ -827,31 +920,32 @@ Attributes
 
 .. py:exception:: UnsupportedAdsorbateException(adsorbate: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when an adsorbate is not supported in the API.
 
 
 .. py:exception:: UnsupportedBulkException(bulk: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a bulk material is not supported in the API.
 
 
 .. py:exception:: UnsupportedModelException(model: str, allowed_models: List[str])
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a model is not supported in the API.
 
 
 .. py:function:: find_adsorbate_binding_sites(adsorbate: str, bulk: str, model: str = 'equiformer_v2_31M_s2ef_all_md', adslab_filter: Callable[[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]], Awaitable[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]]] = _DEFAULT_ADSLAB_FILTER, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT, lifetime: Lifetime = Lifetime.SAVE) -> AdsorbateBindingSites
    :async:
 
+
    Search for adsorbate binding sites on surfaces of a bulk material.
    This executes the following steps:
 
@@ -890,6 +984,7 @@ Attributes
 .. py:function:: get_adsorbate_slab_relaxation_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
    :async:
 
+
    Wrapper around Client.get_adsorbate_slab_relaxations_results() that
    handles retries, including re-fetching individual configurations that
    are initially omitted.
@@ -908,6 +1003,7 @@ Attributes
 .. py:function:: wait_for_adsorbate_slab_relaxations(system_id: str, check_immediately: bool = False, slow_interval_sec: float = 30, fast_interval_sec: float = 10, pbar: Optional[tqdm.tqdm] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> Dict[int, fairchem.demo.ocpapi.client.Status]
    :async:
 
+
    Blocks until all relaxations in the input system have finished, whether
    successfully or not.
 
@@ -935,9 +1031,9 @@ Attributes
 
 .. py:class:: keep_all_slabs
 
-
    Adslab filter than returns all slabs.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -945,10 +1041,10 @@ Attributes
 
 .. py:class:: keep_slabs_with_miller_indices(miller_indices: Iterable[Tuple[int, int, int]])
 
-
    Adslab filter that keeps any slabs with the configured miller indices.
    Slabs with other miller indices will be ignored.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -956,45 +1052,45 @@ Attributes
 
 .. py:class:: prompt_for_slabs_to_keep
 
-
    Adslab filter than presents the user with an interactive prompt to choose
    which of the input slabs to keep.
 
+
    .. py:method:: _sort_key(adslab: fairchem.demo.ocpapi.client.AdsorbateSlabConfigs) -> Tuple[Tuple[int, int, int], float, str]
       :staticmethod:
 
+
       Generates a sort key from the input adslab. Returns the miller indices,
       shift, and top/bottom label so that they will be sorted by those values
       in that order.
 
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
 
 
 .. py:data:: NO_LIMIT
-   :type: NoLimitType
+   :type:  NoLimitType
    :value: 0
 
-   
 
 .. py:data:: NoLimitType
 
-   
-
 .. py:class:: RateLimitLogging
 
-
    Controls logging when rate limits are hit.
 
+
    .. py:attribute:: logger
-      :type: logging.Logger
+      :type:  logging.Logger
 
       The logger to use.
 
+
    .. py:attribute:: action
-      :type: str
+      :type:  str
 
       A short description of the action being attempted.
 
diff --git a/_sources/autoapi/ocpapi/version/index.rst b/_sources/autoapi/ocpapi/version/index.rst
index d88a0821f..5597b5fb2 100644
--- a/_sources/autoapi/ocpapi/version/index.rst
+++ b/_sources/autoapi/ocpapi/version/index.rst
@@ -1,14 +1,21 @@
-:py:mod:`ocpapi.version`
-========================
+ocpapi.version
+==============
 
 .. py:module:: ocpapi.version
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.version.VERSION
+
+
 Module Contents
 ---------------
 
 .. py:data:: VERSION
    :value: '1.0.0'
 
-   
 
diff --git a/_sources/autoapi/ocpapi/workflows/adsorbates/index.rst b/_sources/autoapi/ocpapi/workflows/adsorbates/index.rst
index 5fe133860..e2700806b 100644
--- a/_sources/autoapi/ocpapi/workflows/adsorbates/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/adsorbates/index.rst
@@ -1,14 +1,33 @@
-:py:mod:`ocpapi.workflows.adsorbates`
-=====================================
+ocpapi.workflows.adsorbates
+===========================
 
 .. py:module:: ocpapi.workflows.adsorbates
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.adsorbates._CTX_AD_BULK
+   ocpapi.workflows.adsorbates._CTX_SLAB
+   ocpapi.workflows.adsorbates.DEFAULT_CLIENT
+   ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER
+
+
+Exceptions
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.adsorbates.AdsorbatesException
+   ocpapi.workflows.adsorbates.UnsupportedModelException
+   ocpapi.workflows.adsorbates.UnsupportedBulkException
+   ocpapi.workflows.adsorbates.UnsupportedAdsorbateException
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,9 +36,8 @@ Classes
    ocpapi.workflows.adsorbates.AdsorbateBindingSites
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -43,27 +61,14 @@ Functions
    ocpapi.workflows.adsorbates.find_adsorbate_binding_sites
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpapi.workflows.adsorbates._CTX_AD_BULK
-   ocpapi.workflows.adsorbates._CTX_SLAB
-   ocpapi.workflows.adsorbates.DEFAULT_CLIENT
-   ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER
-
+Module Contents
+---------------
 
 .. py:data:: _CTX_AD_BULK
-   :type: contextvars.ContextVar[Tuple[str, str]]
-
-   
+   :type:  contextvars.ContextVar[Tuple[str, str]]
 
 .. py:data:: _CTX_SLAB
-   :type: contextvars.ContextVar[fairchem.demo.ocpapi.client.Slab]
-
-   
+   :type:  contextvars.ContextVar[fairchem.demo.ocpapi.client.Slab]
 
 .. py:function:: _setup_log_record_factory() -> None
 
@@ -72,59 +77,60 @@ Attributes
 
 
 .. py:data:: DEFAULT_CLIENT
-   :type: fairchem.demo.ocpapi.client.Client
-
-   
+   :type:  fairchem.demo.ocpapi.client.Client
 
 .. py:exception:: AdsorbatesException
 
-
    Bases: :py:obj:`Exception`
 
+
    Base exception for all others in this module.
 
 
 .. py:exception:: UnsupportedModelException(model: str, allowed_models: List[str])
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a model is not supported in the API.
 
 
 .. py:exception:: UnsupportedBulkException(bulk: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a bulk material is not supported in the API.
 
 
 .. py:exception:: UnsupportedAdsorbateException(adsorbate: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when an adsorbate is not supported in the API.
 
 
 .. py:class:: Lifetime(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Represents different lifetimes when running relaxations.
 
+
    .. py:attribute:: SAVE
 
       The relaxation will be available on API servers indefinitely. It will not
       be possible to delete the relaxation in the future.
 
+
    .. py:attribute:: MARK_EPHEMERAL
 
       The relaxation will be saved on API servers, but can be deleted at any time
       in the future.
 
+
    .. py:attribute:: DELETE
 
       The relaxation will be deleted from API servers as soon as the results have
@@ -133,59 +139,66 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxations
 
-
    Stores the relaxations of adsorbate placements on the surface of a slab.
 
+
    .. py:attribute:: slab
-      :type: fairchem.demo.ocpapi.client.Slab
+      :type:  fairchem.demo.ocpapi.client.Slab
 
       The slab on which the adsorbate was placed.
 
+
    .. py:attribute:: configs
-      :type: List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
+      :type:  List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
 
       Details of the relaxation of each adsorbate placement, including the
       final position.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       The ID of the system that stores all of the relaxations.
 
+
    .. py:attribute:: api_host
-      :type: str
+      :type:  str
 
       The API host on which the relaxations were run.
 
+
    .. py:attribute:: ui_url
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The URL at which results can be visualized.
 
 
 .. py:class:: AdsorbateBindingSites
 
-
    Stores the inputs and results of a set of relaxations of adsorbate
    placements on the surface of a slab.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: bulk
-      :type: fairchem.demo.ocpapi.client.Bulk
+      :type:  fairchem.demo.ocpapi.client.Bulk
 
       The bulk material that was being modeled.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the model that was run.
 
+
    .. py:attribute:: slabs
-      :type: List[AdsorbateSlabRelaxations]
+      :type:  List[AdsorbateSlabRelaxations]
 
       The list of slabs that were generated from the bulk structure. Each
       contains its own list of adsorbate placements.
@@ -194,6 +207,7 @@ Attributes
 .. py:function:: _ensure_model_supported(client: fairchem.demo.ocpapi.client.Client, model: str) -> None
    :async:
 
+
    Checks that the input model is supported in the API.
 
    :param client: The client to use when making requests to the API.
@@ -205,6 +219,7 @@ Attributes
 .. py:function:: _get_bulk_if_supported(client: fairchem.demo.ocpapi.client.Client, bulk: str) -> fairchem.demo.ocpapi.client.Bulk
    :async:
 
+
    Returns the object from the input bulk if it is supported in the API.
 
    :param client: The client to use when making requests to the API.
@@ -218,6 +233,7 @@ Attributes
 .. py:function:: _ensure_adsorbate_supported(client: fairchem.demo.ocpapi.client.Client, adsorbate: str) -> None
    :async:
 
+
    Checks that the input adsorbate is supported in the API.
 
    :param client: The client to use when making requests to the API.
@@ -229,6 +245,7 @@ Attributes
 .. py:function:: _get_slabs(client: fairchem.demo.ocpapi.client.Client, bulk: fairchem.demo.ocpapi.client.Bulk) -> List[fairchem.demo.ocpapi.client.Slab]
    :async:
 
+
    Enumerates surfaces for the input bulk material.
 
    :param client: The client to use when making requests to the API.
@@ -240,6 +257,7 @@ Attributes
 .. py:function:: _get_absorbate_configs_on_slab(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, slab: fairchem.demo.ocpapi.client.Slab) -> fairchem.demo.ocpapi.client.AdsorbateSlabConfigs
    :async:
 
+
    Generate initial guesses at adsorbate binding sites on the input slab.
 
    :param client: The client to use when making API calls.
@@ -254,12 +272,14 @@ Attributes
 .. py:function:: _get_absorbate_configs_on_slab_with_logging(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, slab: fairchem.demo.ocpapi.client.Slab) -> fairchem.demo.ocpapi.client.AdsorbateSlabConfigs
    :async:
 
+
    Wrapper around _get_absorbate_configs_on_slab that adds logging.
 
 
 .. py:function:: _get_adsorbate_configs_on_slabs(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, slabs: List[fairchem.demo.ocpapi.client.Slab]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
    :async:
 
+
    Finds candidate adsorbate binding sites on each of the input slabs.
 
    :param client: The client to use when making API calls.
@@ -273,6 +293,7 @@ Attributes
 .. py:function:: _submit_relaxations(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, adsorbate_configs: List[fairchem.demo.ocpapi.client.Atoms], bulk: fairchem.demo.ocpapi.client.Bulk, slab: fairchem.demo.ocpapi.client.Slab, model: str, ephemeral: bool) -> str
    :async:
 
+
    Start relaxations for each of the input adsorbate configurations on the
    input slab.
 
@@ -292,6 +313,7 @@ Attributes
 .. py:function:: _submit_relaxations_with_progress_logging(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, adsorbate_configs: List[fairchem.demo.ocpapi.client.Atoms], bulk: fairchem.demo.ocpapi.client.Bulk, slab: fairchem.demo.ocpapi.client.Slab, model: str, ephemeral: bool) -> str
    :async:
 
+
    Wrapper around _submit_relaxations that adds periodic logging in case
    calls to submit relaxations are being rate limited.
 
@@ -299,6 +321,7 @@ Attributes
 .. py:function:: get_adsorbate_slab_relaxation_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
    :async:
 
+
    Wrapper around Client.get_adsorbate_slab_relaxations_results() that
    handles retries, including re-fetching individual configurations that
    are initially omitted.
@@ -317,6 +340,7 @@ Attributes
 .. py:function:: wait_for_adsorbate_slab_relaxations(system_id: str, check_immediately: bool = False, slow_interval_sec: float = 30, fast_interval_sec: float = 10, pbar: Optional[tqdm.tqdm] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> Dict[int, fairchem.demo.ocpapi.client.Status]
    :async:
 
+
    Blocks until all relaxations in the input system have finished, whether
    successfully or not.
 
@@ -345,6 +369,7 @@ Attributes
 .. py:function:: _delete_system(client: fairchem.demo.ocpapi.client.Client, system_id: str) -> None
    :async:
 
+
    Deletes the input system, with retries on failed attempts.
 
    :param client: The client to use when making API calls.
@@ -354,6 +379,7 @@ Attributes
 .. py:function:: _ensure_system_deleted(client: fairchem.demo.ocpapi.client.Client, system_id: str) -> AsyncGenerator[None, None]
    :async:
 
+
    Immediately yields control to the caller. When control returns to this
    function, try to delete the system with the input id.
 
@@ -364,6 +390,7 @@ Attributes
 .. py:function:: _run_relaxations_on_slab(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, adsorbate_configs: List[fairchem.demo.ocpapi.client.Atoms], bulk: fairchem.demo.ocpapi.client.Bulk, slab: fairchem.demo.ocpapi.client.Slab, model: str, lifetime: Lifetime, pbar: tqdm.tqdm) -> AdsorbateSlabRelaxations
    :async:
 
+
    Start relaxations for each adsorbate configuration on the input slab
    and wait for all to finish.
 
@@ -385,6 +412,7 @@ Attributes
 .. py:function:: _refresh_pbar(pbar: tqdm.tqdm, interval_sec: float) -> None
    :async:
 
+
    Helper function that refreshes the input progress bar on a regular
    schedule. This function never returns; it must be cancelled.
 
@@ -395,6 +423,7 @@ Attributes
 .. py:function:: _relax_binding_sites_on_slabs(client: fairchem.demo.ocpapi.client.Client, adsorbate: str, bulk: fairchem.demo.ocpapi.client.Bulk, adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs], model: str, lifetime: Lifetime) -> AdsorbateBindingSites
    :async:
 
+
    Search for adsorbate binding sites on the input slab.
 
    :param client: The client to use when making API calls.
@@ -411,13 +440,12 @@ Attributes
 
 
 .. py:data:: _DEFAULT_ADSLAB_FILTER
-   :type: Callable[[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]], Awaitable[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]]]
-
-   
+   :type:  Callable[[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]], Awaitable[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]]]
 
 .. py:function:: find_adsorbate_binding_sites(adsorbate: str, bulk: str, model: str = 'equiformer_v2_31M_s2ef_all_md', adslab_filter: Callable[[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]], Awaitable[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]]] = _DEFAULT_ADSLAB_FILTER, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT, lifetime: Lifetime = Lifetime.SAVE) -> AdsorbateBindingSites
    :async:
 
+
    Search for adsorbate binding sites on surfaces of a bulk material.
    This executes the following steps:
 
diff --git a/_sources/autoapi/ocpapi/workflows/context/index.rst b/_sources/autoapi/ocpapi/workflows/context/index.rst
index 76b234a4e..9fffec978 100644
--- a/_sources/autoapi/ocpapi/workflows/context/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/context/index.rst
@@ -1,21 +1,19 @@
-:py:mod:`ocpapi.workflows.context`
-==================================
+ocpapi.workflows.context
+========================
 
 .. py:module:: ocpapi.workflows.context
 
 
-Module Contents
----------------
-
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    ocpapi.workflows.context.set_context_var
 
 
+Module Contents
+---------------
 
 .. py:function:: set_context_var(context_var: contextvars.ContextVar, value: Any) -> Generator[None, None, None]
 
diff --git a/_sources/autoapi/ocpapi/workflows/filter/index.rst b/_sources/autoapi/ocpapi/workflows/filter/index.rst
index 8002fa129..0c35de8ad 100644
--- a/_sources/autoapi/ocpapi/workflows/filter/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/filter/index.rst
@@ -1,14 +1,11 @@
-:py:mod:`ocpapi.workflows.filter`
-=================================
+ocpapi.workflows.filter
+=======================
 
 .. py:module:: ocpapi.workflows.filter
 
 
-Module Contents
----------------
-
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -17,13 +14,14 @@ Classes
    ocpapi.workflows.filter.prompt_for_slabs_to_keep
 
 
-
+Module Contents
+---------------
 
 .. py:class:: keep_all_slabs
 
-
    Adslab filter than returns all slabs.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -31,10 +29,10 @@ Classes
 
 .. py:class:: keep_slabs_with_miller_indices(miller_indices: Iterable[Tuple[int, int, int]])
 
-
    Adslab filter that keeps any slabs with the configured miller indices.
    Slabs with other miller indices will be ignored.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -42,18 +40,20 @@ Classes
 
 .. py:class:: prompt_for_slabs_to_keep
 
-
    Adslab filter than presents the user with an interactive prompt to choose
    which of the input slabs to keep.
 
+
    .. py:method:: _sort_key(adslab: fairchem.demo.ocpapi.client.AdsorbateSlabConfigs) -> Tuple[Tuple[int, int, int], float, str]
       :staticmethod:
 
+
       Generates a sort key from the input adslab. Returns the miller indices,
       shift, and top/bottom label so that they will be sorted by those values
       in that order.
 
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
diff --git a/_sources/autoapi/ocpapi/workflows/index.rst b/_sources/autoapi/ocpapi/workflows/index.rst
index a12c9e5a5..4d947aa88 100644
--- a/_sources/autoapi/ocpapi/workflows/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/index.rst
@@ -1,27 +1,43 @@
-:py:mod:`ocpapi.workflows`
-==========================
+ocpapi.workflows
+================
 
 .. py:module:: ocpapi.workflows
 
 
 Submodules
 ----------
+
 .. toctree::
-   :titlesonly:
    :maxdepth: 1
 
-   adsorbates/index.rst
-   context/index.rst
-   filter/index.rst
-   log/index.rst
-   retry/index.rst
+   /autoapi/ocpapi/workflows/adsorbates/index
+   /autoapi/ocpapi/workflows/context/index
+   /autoapi/ocpapi/workflows/filter/index
+   /autoapi/ocpapi/workflows/log/index
+   /autoapi/ocpapi/workflows/retry/index
 
 
-Package Contents
-----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.NO_LIMIT
+   ocpapi.workflows.NoLimitType
+
+
+Exceptions
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.UnsupportedAdsorbateException
+   ocpapi.workflows.UnsupportedBulkException
+   ocpapi.workflows.UnsupportedModelException
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -34,9 +50,8 @@ Classes
    ocpapi.workflows.RateLimitLogging
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
@@ -46,39 +61,35 @@ Functions
    ocpapi.workflows.retry_api_calls
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpapi.workflows.NO_LIMIT
-   ocpapi.workflows.NoLimitType
-
+Package Contents
+----------------
 
 .. py:class:: AdsorbateBindingSites
 
-
    Stores the inputs and results of a set of relaxations of adsorbate
    placements on the surface of a slab.
 
+
    .. py:attribute:: adsorbate
-      :type: str
+      :type:  str
 
       Description of the adsorbate.
 
+
    .. py:attribute:: bulk
-      :type: fairchem.demo.ocpapi.client.Bulk
+      :type:  fairchem.demo.ocpapi.client.Bulk
 
       The bulk material that was being modeled.
 
+
    .. py:attribute:: model
-      :type: str
+      :type:  str
 
       The type of the model that was run.
 
+
    .. py:attribute:: slabs
-      :type: List[AdsorbateSlabRelaxations]
+      :type:  List[AdsorbateSlabRelaxations]
 
       The list of slabs that were generated from the bulk structure. Each
       contains its own list of adsorbate placements.
@@ -86,53 +97,60 @@ Attributes
 
 .. py:class:: AdsorbateSlabRelaxations
 
-
    Stores the relaxations of adsorbate placements on the surface of a slab.
 
+
    .. py:attribute:: slab
-      :type: fairchem.demo.ocpapi.client.Slab
+      :type:  fairchem.demo.ocpapi.client.Slab
 
       The slab on which the adsorbate was placed.
 
+
    .. py:attribute:: configs
-      :type: List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
+      :type:  List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
 
       Details of the relaxation of each adsorbate placement, including the
       final position.
 
+
    .. py:attribute:: system_id
-      :type: str
+      :type:  str
 
       The ID of the system that stores all of the relaxations.
 
+
    .. py:attribute:: api_host
-      :type: str
+      :type:  str
 
       The API host on which the relaxations were run.
 
+
    .. py:attribute:: ui_url
-      :type: Optional[str]
+      :type:  Optional[str]
 
       The URL at which results can be visualized.
 
 
 .. py:class:: Lifetime(*args, **kwds)
 
-
    Bases: :py:obj:`enum.Enum`
 
+
    Represents different lifetimes when running relaxations.
 
+
    .. py:attribute:: SAVE
 
       The relaxation will be available on API servers indefinitely. It will not
       be possible to delete the relaxation in the future.
 
+
    .. py:attribute:: MARK_EPHEMERAL
 
       The relaxation will be saved on API servers, but can be deleted at any time
       in the future.
 
+
    .. py:attribute:: DELETE
 
       The relaxation will be deleted from API servers as soon as the results have
@@ -141,31 +159,32 @@ Attributes
 
 .. py:exception:: UnsupportedAdsorbateException(adsorbate: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when an adsorbate is not supported in the API.
 
 
 .. py:exception:: UnsupportedBulkException(bulk: str)
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a bulk material is not supported in the API.
 
 
 .. py:exception:: UnsupportedModelException(model: str, allowed_models: List[str])
 
-
    Bases: :py:obj:`AdsorbatesException`
 
+
    Exception raised when a model is not supported in the API.
 
 
 .. py:function:: find_adsorbate_binding_sites(adsorbate: str, bulk: str, model: str = 'equiformer_v2_31M_s2ef_all_md', adslab_filter: Callable[[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]], Awaitable[List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]]] = _DEFAULT_ADSLAB_FILTER, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT, lifetime: Lifetime = Lifetime.SAVE) -> AdsorbateBindingSites
    :async:
 
+
    Search for adsorbate binding sites on surfaces of a bulk material.
    This executes the following steps:
 
@@ -204,6 +223,7 @@ Attributes
 .. py:function:: get_adsorbate_slab_relaxation_results(system_id: str, config_ids: Optional[List[int]] = None, fields: Optional[List[str]] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabRelaxationResult]
    :async:
 
+
    Wrapper around Client.get_adsorbate_slab_relaxations_results() that
    handles retries, including re-fetching individual configurations that
    are initially omitted.
@@ -222,6 +242,7 @@ Attributes
 .. py:function:: wait_for_adsorbate_slab_relaxations(system_id: str, check_immediately: bool = False, slow_interval_sec: float = 30, fast_interval_sec: float = 10, pbar: Optional[tqdm.tqdm] = None, client: fairchem.demo.ocpapi.client.Client = DEFAULT_CLIENT) -> Dict[int, fairchem.demo.ocpapi.client.Status]
    :async:
 
+
    Blocks until all relaxations in the input system have finished, whether
    successfully or not.
 
@@ -249,9 +270,9 @@ Attributes
 
 .. py:class:: keep_all_slabs
 
-
    Adslab filter than returns all slabs.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -259,10 +280,10 @@ Attributes
 
 .. py:class:: keep_slabs_with_miller_indices(miller_indices: Iterable[Tuple[int, int, int]])
 
-
    Adslab filter that keeps any slabs with the configured miller indices.
    Slabs with other miller indices will be ignored.
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
@@ -270,45 +291,45 @@ Attributes
 
 .. py:class:: prompt_for_slabs_to_keep
 
-
    Adslab filter than presents the user with an interactive prompt to choose
    which of the input slabs to keep.
 
+
    .. py:method:: _sort_key(adslab: fairchem.demo.ocpapi.client.AdsorbateSlabConfigs) -> Tuple[Tuple[int, int, int], float, str]
       :staticmethod:
 
+
       Generates a sort key from the input adslab. Returns the miller indices,
       shift, and top/bottom label so that they will be sorted by those values
       in that order.
 
 
+
    .. py:method:: __call__(adslabs: List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]) -> List[fairchem.demo.ocpapi.client.AdsorbateSlabConfigs]
       :async:
 
 
 
 .. py:data:: NO_LIMIT
-   :type: NoLimitType
+   :type:  NoLimitType
    :value: 0
 
-   
 
 .. py:data:: NoLimitType
 
-   
-
 .. py:class:: RateLimitLogging
 
-
    Controls logging when rate limits are hit.
 
+
    .. py:attribute:: logger
-      :type: logging.Logger
+      :type:  logging.Logger
 
       The logger to use.
 
+
    .. py:attribute:: action
-      :type: str
+      :type:  str
 
       A short description of the action being attempted.
 
diff --git a/_sources/autoapi/ocpapi/workflows/log/index.rst b/_sources/autoapi/ocpapi/workflows/log/index.rst
index 0f03bb028..19f3d718c 100644
--- a/_sources/autoapi/ocpapi/workflows/log/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/log/index.rst
@@ -1,13 +1,19 @@
-:py:mod:`ocpapi.workflows.log`
-==============================
+ocpapi.workflows.log
+====================
 
 .. py:module:: ocpapi.workflows.log
 
 
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.log.log
+
+
 Module Contents
 ---------------
 
 .. py:data:: log
 
-   
-
diff --git a/_sources/autoapi/ocpapi/workflows/retry/index.rst b/_sources/autoapi/ocpapi/workflows/retry/index.rst
index 5fc4b2c7c..b745648f8 100644
--- a/_sources/autoapi/ocpapi/workflows/retry/index.rst
+++ b/_sources/autoapi/ocpapi/workflows/retry/index.rst
@@ -1,14 +1,20 @@
-:py:mod:`ocpapi.workflows.retry`
-================================
+ocpapi.workflows.retry
+======================
 
 .. py:module:: ocpapi.workflows.retry
 
 
-Module Contents
----------------
+Attributes
+----------
+
+.. autoapisummary::
+
+   ocpapi.workflows.retry.NoLimitType
+   ocpapi.workflows.retry.NO_LIMIT
+
 
 Classes
-~~~~~~~
+-------
 
 .. autoapisummary::
 
@@ -16,50 +22,44 @@ Classes
    ocpapi.workflows.retry._wait_check_retry_after
 
 
-
 Functions
-~~~~~~~~~
+---------
 
 .. autoapisummary::
 
    ocpapi.workflows.retry.retry_api_calls
 
 
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpapi.workflows.retry.NoLimitType
-   ocpapi.workflows.retry.NO_LIMIT
-
+Module Contents
+---------------
 
 .. py:class:: RateLimitLogging
 
-
    Controls logging when rate limits are hit.
 
+
    .. py:attribute:: logger
-      :type: logging.Logger
+      :type:  logging.Logger
 
       The logger to use.
 
+
    .. py:attribute:: action
-      :type: str
+      :type:  str
 
       A short description of the action being attempted.
 
 
 .. py:class:: _wait_check_retry_after(default_wait: tenacity.wait.wait_base, rate_limit_logging: Optional[RateLimitLogging] = None)
 
-
    Bases: :py:obj:`tenacity.wait.wait_base`
 
+
    Tenacity wait strategy that first checks whether RateLimitExceededException
    was raised and that it includes a retry-after value; if so wait, for that
    amount of time. Otherwise, fall back to the provided default strategy.
 
+
    .. py:method:: __call__(retry_state: tenacity.RetryCallState) -> float
 
       If a RateLimitExceededException was raised and has a retry_after value,
@@ -69,13 +69,10 @@ Attributes
 
 .. py:data:: NoLimitType
 
-   
-
 .. py:data:: NO_LIMIT
-   :type: NoLimitType
+   :type:  NoLimitType
    :value: 0
 
-   
 
 .. py:function:: retry_api_calls(max_attempts: Union[int, NoLimitType] = 3, rate_limit_logging: Optional[RateLimitLogging] = None, fixed_wait_sec: float = 2, max_jitter_sec: float = 1) -> Any
 
diff --git a/_sources/tutorials/cattsunami_walkthrough.md b/_sources/tutorials/cattsunami_walkthrough.md
index 5d70a38ff..025a93e63 100644
--- a/_sources/tutorials/cattsunami_walkthrough.md
+++ b/_sources/tutorials/cattsunami_walkthrough.md
@@ -35,6 +35,10 @@ from IPython.display import Image
 
 # Optional
 # from x3dase.x3d import X3D
+
+# Set random seed
+import numpy as np
+np.random.seed(22)
 ```
 
 ## Do enumerations in an AdsorbML style for CH dissociation on Ru (001)
diff --git a/_sphinx_design_static/design-tabs.js b/_sphinx_design_static/design-tabs.js
index 36b38cf0d..b25bd6a4f 100644
--- a/_sphinx_design_static/design-tabs.js
+++ b/_sphinx_design_static/design-tabs.js
@@ -1,27 +1,101 @@
-var sd_labels_by_text = {};
+// @ts-check
 
+// Extra JS capability for selected tabs to be synced
+// The selection is stored in local storage so that it persists across page loads.
+
+/**
+ * @type {Record<string, HTMLElement[]>}
+ */
+let sd_id_to_elements = {};
+const storageKeyPrefix = "sphinx-design-tab-id-";
+
+/**
+ * Create a key for a tab element.
+ * @param {HTMLElement} el - The tab element.
+ * @returns {[string, string, string] | null} - The key.
+ *
+ */
+function create_key(el) {
+  let syncId = el.getAttribute("data-sync-id");
+  let syncGroup = el.getAttribute("data-sync-group");
+  if (!syncId || !syncGroup) return null;
+  return [syncGroup, syncId, syncGroup + "--" + syncId];
+}
+
+/**
+ * Initialize the tab selection.
+ *
+ */
 function ready() {
-  const li = document.getElementsByClassName("sd-tab-label");
-  for (const label of li) {
-    syncId = label.getAttribute("data-sync-id");
-    if (syncId) {
-      label.onclick = onLabelClick;
-      if (!sd_labels_by_text[syncId]) {
-        sd_labels_by_text[syncId] = [];
+  // Find all tabs with sync data
+
+  /** @type {string[]} */
+  let groups = [];
+
+  document.querySelectorAll(".sd-tab-label").forEach((label) => {
+    if (label instanceof HTMLElement) {
+      let data = create_key(label);
+      if (data) {
+        let [group, id, key] = data;
+
+        // add click event listener
+        // @ts-ignore
+        label.onclick = onSDLabelClick;
+
+        // store map of key to elements
+        if (!sd_id_to_elements[key]) {
+          sd_id_to_elements[key] = [];
+        }
+        sd_id_to_elements[key].push(label);
+
+        if (groups.indexOf(group) === -1) {
+          groups.push(group);
+          // Check if a specific tab has been selected via URL parameter
+          const tabParam = new URLSearchParams(window.location.search).get(
+            group
+          );
+          if (tabParam) {
+            console.log(
+              "sphinx-design: Selecting tab id for group '" +
+                group +
+                "' from URL parameter: " +
+                tabParam
+            );
+            window.sessionStorage.setItem(storageKeyPrefix + group, tabParam);
+          }
+        }
+
+        // Check is a specific tab has been selected previously
+        let previousId = window.sessionStorage.getItem(
+          storageKeyPrefix + group
+        );
+        if (previousId === id) {
+          // console.log(
+          //   "sphinx-design: Selecting tab from session storage: " + id
+          // );
+          // @ts-ignore
+          label.previousElementSibling.checked = true;
+        }
       }
-      sd_labels_by_text[syncId].push(label);
     }
-  }
+  });
 }
 
-function onLabelClick() {
-  // Activate other inputs with the same sync id.
-  syncId = this.getAttribute("data-sync-id");
-  for (label of sd_labels_by_text[syncId]) {
+/**
+ *  Activate other tabs with the same sync id.
+ *
+ * @this {HTMLElement} - The element that was clicked.
+ */
+function onSDLabelClick() {
+  let data = create_key(this);
+  if (!data) return;
+  let [group, id, key] = data;
+  for (const label of sd_id_to_elements[key]) {
     if (label === this) continue;
+    // @ts-ignore
     label.previousElementSibling.checked = true;
   }
-  window.localStorage.setItem("sphinx-design-last-tab", syncId);
+  window.sessionStorage.setItem(storageKeyPrefix + group, id);
 }
 
 document.addEventListener("DOMContentLoaded", ready, false);
diff --git a/_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css b/_sphinx_design_static/sphinx-design.min.css
similarity index 87%
rename from _static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css
rename to _sphinx_design_static/sphinx-design.min.css
index eb19f698a..a325746f2 100644
--- a/_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css
+++ b/_sphinx_design_static/sphinx-design.min.css
@@ -1 +1 @@
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!important}a.sd-bg-success:focus,a.sd-bg-success:hover{background-color:var(--sd-color-success-highlight) !important}.sd-bg-info{background-color:var(--sd-color-info) !important}.sd-bg-text-info{color:var(--sd-color-info-text) !important}button.sd-bg-info:focus,button.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}a.sd-bg-info:focus,a.sd-bg-info:hover{background-color:var(--sd-color-info-highlight) !important}.sd-bg-warning{background-color:var(--sd-color-warning) !important}.sd-bg-text-warning{color:var(--sd-color-warning-text) !important}button.sd-bg-warning:focus,button.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}a.sd-bg-warning:focus,a.sd-bg-warning:hover{background-color:var(--sd-color-warning-highlight) !important}.sd-bg-danger{background-color:var(--sd-color-danger) !important}.sd-bg-text-danger{color:var(--sd-color-danger-text) !important}button.sd-bg-danger:focus,button.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}a.sd-bg-danger:focus,a.sd-bg-danger:hover{background-color:var(--sd-color-danger-highlight) !important}.sd-bg-light{background-color:var(--sd-color-light) !important}.sd-bg-text-light{color:var(--sd-color-light-text) !important}button.sd-bg-light:focus,button.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}a.sd-bg-light:focus,a.sd-bg-light:hover{background-color:var(--sd-color-light-highlight) !important}.sd-bg-muted{background-color:var(--sd-color-muted) !important}.sd-bg-text-muted{color:var(--sd-color-muted-text) !important}button.sd-bg-muted:focus,button.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}a.sd-bg-muted:focus,a.sd-bg-muted:hover{background-color:var(--sd-color-muted-highlight) !important}.sd-bg-dark{background-color:var(--sd-color-dark) 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!important}.sd-text-primary,.sd-text-primary>p{color:var(--sd-color-primary) !important}a.sd-text-primary:focus,a.sd-text-primary:hover{color:var(--sd-color-primary-highlight) !important}.sd-text-secondary,.sd-text-secondary>p{color:var(--sd-color-secondary) !important}a.sd-text-secondary:focus,a.sd-text-secondary:hover{color:var(--sd-color-secondary-highlight) !important}.sd-text-success,.sd-text-success>p{color:var(--sd-color-success) !important}a.sd-text-success:focus,a.sd-text-success:hover{color:var(--sd-color-success-highlight) !important}.sd-text-info,.sd-text-info>p{color:var(--sd-color-info) !important}a.sd-text-info:focus,a.sd-text-info:hover{color:var(--sd-color-info-highlight) !important}.sd-text-warning,.sd-text-warning>p{color:var(--sd-color-warning) !important}a.sd-text-warning:focus,a.sd-text-warning:hover{color:var(--sd-color-warning-highlight) !important}.sd-text-danger,.sd-text-danger>p{color:var(--sd-color-danger) 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1rem}.sd-g-sm-4,.sd-gy-sm-4{--sd-gutter-y: 1.5rem}.sd-g-sm-4,.sd-gx-sm-4{--sd-gutter-x: 1.5rem}.sd-g-sm-5,.sd-gy-sm-5{--sd-gutter-y: 3rem}.sd-g-sm-5,.sd-gx-sm-5{--sd-gutter-x: 3rem}}@media(min-width: 768px){.sd-col-md-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-md-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-md-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-md-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-md-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-md-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-md-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-md-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-md-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-md-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-md-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-md-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-md-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-md-0,.sd-gy-md-0{--sd-gutter-y: 0}.sd-g-md-0,.sd-gx-md-0{--sd-gutter-x: 0}.sd-g-md-1,.sd-gy-md-1{--sd-gutter-y: 0.25rem}.sd-g-md-1,.sd-gx-md-1{--sd-gutter-x: 0.25rem}.sd-g-md-2,.sd-gy-md-2{--sd-gutter-y: 0.5rem}.sd-g-md-2,.sd-gx-md-2{--sd-gutter-x: 0.5rem}.sd-g-md-3,.sd-gy-md-3{--sd-gutter-y: 1rem}.sd-g-md-3,.sd-gx-md-3{--sd-gutter-x: 1rem}.sd-g-md-4,.sd-gy-md-4{--sd-gutter-y: 1.5rem}.sd-g-md-4,.sd-gx-md-4{--sd-gutter-x: 1.5rem}.sd-g-md-5,.sd-gy-md-5{--sd-gutter-y: 3rem}.sd-g-md-5,.sd-gx-md-5{--sd-gutter-x: 3rem}}@media(min-width: 992px){.sd-col-lg-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-lg-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-lg-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-lg-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-lg-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-lg-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-lg-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-lg-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-lg-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-lg-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-lg-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-lg-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-lg-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-lg-0,.sd-gy-lg-0{--sd-gutter-y: 0}.sd-g-lg-0,.sd-gx-lg-0{--sd-gutter-x: 0}.sd-g-lg-1,.sd-gy-lg-1{--sd-gutter-y: 0.25rem}.sd-g-lg-1,.sd-gx-lg-1{--sd-gutter-x: 0.25rem}.sd-g-lg-2,.sd-gy-lg-2{--sd-gutter-y: 0.5rem}.sd-g-lg-2,.sd-gx-lg-2{--sd-gutter-x: 0.5rem}.sd-g-lg-3,.sd-gy-lg-3{--sd-gutter-y: 1rem}.sd-g-lg-3,.sd-gx-lg-3{--sd-gutter-x: 1rem}.sd-g-lg-4,.sd-gy-lg-4{--sd-gutter-y: 1.5rem}.sd-g-lg-4,.sd-gx-lg-4{--sd-gutter-x: 1.5rem}.sd-g-lg-5,.sd-gy-lg-5{--sd-gutter-y: 3rem}.sd-g-lg-5,.sd-gx-lg-5{--sd-gutter-x: 3rem}}@media(min-width: 1200px){.sd-col-xl-auto{-ms-flex:0 0 auto;flex:0 0 auto;width:auto}.sd-col-xl-1{-ms-flex:0 0 auto;flex:0 0 auto;width:8.3333333333%}.sd-col-xl-2{-ms-flex:0 0 auto;flex:0 0 auto;width:16.6666666667%}.sd-col-xl-3{-ms-flex:0 0 auto;flex:0 0 auto;width:25%}.sd-col-xl-4{-ms-flex:0 0 auto;flex:0 0 auto;width:33.3333333333%}.sd-col-xl-5{-ms-flex:0 0 auto;flex:0 0 auto;width:41.6666666667%}.sd-col-xl-6{-ms-flex:0 0 auto;flex:0 0 auto;width:50%}.sd-col-xl-7{-ms-flex:0 0 auto;flex:0 0 auto;width:58.3333333333%}.sd-col-xl-8{-ms-flex:0 0 auto;flex:0 0 auto;width:66.6666666667%}.sd-col-xl-9{-ms-flex:0 0 auto;flex:0 0 auto;width:75%}.sd-col-xl-10{-ms-flex:0 0 auto;flex:0 0 auto;width:83.3333333333%}.sd-col-xl-11{-ms-flex:0 0 auto;flex:0 0 auto;width:91.6666666667%}.sd-col-xl-12{-ms-flex:0 0 auto;flex:0 0 auto;width:100%}.sd-g-xl-0,.sd-gy-xl-0{--sd-gutter-y: 0}.sd-g-xl-0,.sd-gx-xl-0{--sd-gutter-x: 0}.sd-g-xl-1,.sd-gy-xl-1{--sd-gutter-y: 0.25rem}.sd-g-xl-1,.sd-gx-xl-1{--sd-gutter-x: 0.25rem}.sd-g-xl-2,.sd-gy-xl-2{--sd-gutter-y: 0.5rem}.sd-g-xl-2,.sd-gx-xl-2{--sd-gutter-x: 0.5rem}.sd-g-xl-3,.sd-gy-xl-3{--sd-gutter-y: 1rem}.sd-g-xl-3,.sd-gx-xl-3{--sd-gutter-x: 1rem}.sd-g-xl-4,.sd-gy-xl-4{--sd-gutter-y: 1.5rem}.sd-g-xl-4,.sd-gx-xl-4{--sd-gutter-x: 1.5rem}.sd-g-xl-5,.sd-gy-xl-5{--sd-gutter-y: 3rem}.sd-g-xl-5,.sd-gx-xl-5{--sd-gutter-x: 3rem}}.sd-flex-row-reverse{flex-direction:row-reverse !important}details.sd-dropdown{position:relative;font-size:var(--sd-fontsize-dropdown)}details.sd-dropdown:hover{cursor:pointer}details.sd-dropdown .sd-summary-content{cursor:default}details.sd-dropdown summary.sd-summary-title{padding:.5em 1em;font-size:var(--sd-fontsize-dropdown-title);font-weight:var(--sd-fontweight-dropdown-title);user-select:none;-moz-user-select:none;-ms-user-select:none;-webkit-user-select:none;list-style:none;display:inline-flex;justify-content:space-between}details.sd-dropdown summary.sd-summary-title::-webkit-details-marker{display:none}details.sd-dropdown summary.sd-summary-title:focus{outline:none}details.sd-dropdown summary.sd-summary-title .sd-summary-icon{margin-right:.6em;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-icon svg{opacity:.8}details.sd-dropdown summary.sd-summary-title .sd-summary-text{flex-grow:1;line-height:1.5;padding-right:.5rem}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker{pointer-events:none;display:inline-flex;align-items:center}details.sd-dropdown summary.sd-summary-title .sd-summary-state-marker svg{opacity:.6}details.sd-dropdown summary.sd-summary-title:hover .sd-summary-state-marker svg{opacity:1;transform:scale(1.1)}details.sd-dropdown[open] summary .sd-octicon.no-title{visibility:hidden}details.sd-dropdown .sd-summary-chevron-right{transition:.25s}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-right{transform:rotate(90deg)}details.sd-dropdown[open]>.sd-summary-title .sd-summary-chevron-down{transform:rotate(180deg)}details.sd-dropdown:not([open]).sd-card{border:none}details.sd-dropdown:not([open])>.sd-card-header{border:1px solid var(--sd-color-card-border);border-radius:.25rem}details.sd-dropdown.sd-fade-in[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out;animation:sd-fade-in .5s ease-in-out}details.sd-dropdown.sd-fade-in-slide-down[open] summary~*{-moz-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;-webkit-animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out;animation:sd-fade-in .5s ease-in-out,sd-slide-down .5s ease-in-out}.sd-col>.sd-dropdown{width:100%}.sd-summary-content>.sd-tab-set:first-child{margin-top:0}@keyframes sd-fade-in{0%{opacity:0}100%{opacity:1}}@keyframes sd-slide-down{0%{transform:translate(0, -10px)}100%{transform:translate(0, 0)}}.sd-tab-set{border-radius:.125rem;display:flex;flex-wrap:wrap;margin:1em 0;position:relative}.sd-tab-set>input{opacity:0;position:absolute}.sd-tab-set>input:checked+label{border-color:var(--sd-color-tabs-underline-active);color:var(--sd-color-tabs-label-active)}.sd-tab-set>input:checked+label+.sd-tab-content{display:block}.sd-tab-set>input:not(:checked)+label:hover{color:var(--sd-color-tabs-label-hover);border-color:var(--sd-color-tabs-underline-hover)}.sd-tab-set>input:focus+label{outline-style:auto}.sd-tab-set>input:not(.focus-visible)+label{outline:none;-webkit-tap-highlight-color:transparent}.sd-tab-set>label{border-bottom:.125rem solid transparent;margin-bottom:0;color:var(--sd-color-tabs-label-inactive);border-color:var(--sd-color-tabs-underline-inactive);cursor:pointer;font-size:var(--sd-fontsize-tabs-label);font-weight:700;padding:1em 1.25em .5em;transition:color 250ms;width:auto;z-index:1}html .sd-tab-set>label:hover{color:var(--sd-color-tabs-label-active)}.sd-col>.sd-tab-set{width:100%}.sd-tab-content{box-shadow:0 -0.0625rem var(--sd-color-tabs-overline),0 .0625rem var(--sd-color-tabs-underline);display:none;order:99;padding-bottom:.75rem;padding-top:.75rem;width:100%}.sd-tab-content>:first-child{margin-top:0 !important}.sd-tab-content>:last-child{margin-bottom:0 !important}.sd-tab-content>.sd-tab-set{margin:0}.sd-sphinx-override,.sd-sphinx-override *{-moz-box-sizing:border-box;-webkit-box-sizing:border-box;box-sizing:border-box}.sd-sphinx-override p{margin-top:0}:root{--sd-color-primary: #0071bc;--sd-color-secondary: #6c757d;--sd-color-success: #28a745;--sd-color-info: #17a2b8;--sd-color-warning: #f0b37e;--sd-color-danger: #dc3545;--sd-color-light: #f8f9fa;--sd-color-muted: #6c757d;--sd-color-dark: #212529;--sd-color-black: black;--sd-color-white: white;--sd-color-primary-highlight: #0060a0;--sd-color-secondary-highlight: #5c636a;--sd-color-success-highlight: #228e3b;--sd-color-info-highlight: #148a9c;--sd-color-warning-highlight: #cc986b;--sd-color-danger-highlight: #bb2d3b;--sd-color-light-highlight: #d3d4d5;--sd-color-muted-highlight: #5c636a;--sd-color-dark-highlight: #1c1f23;--sd-color-black-highlight: black;--sd-color-white-highlight: #d9d9d9;--sd-color-primary-bg: rgba(0, 113, 188, 0.2);--sd-color-secondary-bg: rgba(108, 117, 125, 0.2);--sd-color-success-bg: rgba(40, 167, 69, 0.2);--sd-color-info-bg: rgba(23, 162, 184, 0.2);--sd-color-warning-bg: rgba(240, 179, 126, 0.2);--sd-color-danger-bg: rgba(220, 53, 69, 0.2);--sd-color-light-bg: rgba(248, 249, 250, 0.2);--sd-color-muted-bg: rgba(108, 117, 125, 0.2);--sd-color-dark-bg: rgba(33, 37, 41, 0.2);--sd-color-black-bg: rgba(0, 0, 0, 0.2);--sd-color-white-bg: rgba(255, 255, 255, 0.2);--sd-color-primary-text: #fff;--sd-color-secondary-text: #fff;--sd-color-success-text: #fff;--sd-color-info-text: #fff;--sd-color-warning-text: #212529;--sd-color-danger-text: #fff;--sd-color-light-text: #212529;--sd-color-muted-text: #fff;--sd-color-dark-text: #fff;--sd-color-black-text: #fff;--sd-color-white-text: #212529;--sd-color-shadow: rgba(0, 0, 0, 0.15);--sd-color-card-border: rgba(0, 0, 0, 0.125);--sd-color-card-border-hover: hsla(231, 99%, 66%, 1);--sd-color-card-background: transparent;--sd-color-card-text: inherit;--sd-color-card-header: transparent;--sd-color-card-footer: transparent;--sd-color-tabs-label-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-hover: hsla(231, 99%, 66%, 1);--sd-color-tabs-label-inactive: hsl(0, 0%, 66%);--sd-color-tabs-underline-active: hsla(231, 99%, 66%, 1);--sd-color-tabs-underline-hover: rgba(178, 206, 245, 0.62);--sd-color-tabs-underline-inactive: transparent;--sd-color-tabs-overline: rgb(222, 222, 222);--sd-color-tabs-underline: rgb(222, 222, 222);--sd-fontsize-tabs-label: 1rem;--sd-fontsize-dropdown: inherit;--sd-fontsize-dropdown-title: 1rem;--sd-fontweight-dropdown-title: 700}
diff --git a/_static/design-tabs.js b/_static/design-tabs.js
index 36b38cf0d..b25bd6a4f 100644
--- a/_static/design-tabs.js
+++ b/_static/design-tabs.js
@@ -1,27 +1,101 @@
-var sd_labels_by_text = {};
+// @ts-check
 
+// Extra JS capability for selected tabs to be synced
+// The selection is stored in local storage so that it persists across page loads.
+
+/**
+ * @type {Record<string, HTMLElement[]>}
+ */
+let sd_id_to_elements = {};
+const storageKeyPrefix = "sphinx-design-tab-id-";
+
+/**
+ * Create a key for a tab element.
+ * @param {HTMLElement} el - The tab element.
+ * @returns {[string, string, string] | null} - The key.
+ *
+ */
+function create_key(el) {
+  let syncId = el.getAttribute("data-sync-id");
+  let syncGroup = el.getAttribute("data-sync-group");
+  if (!syncId || !syncGroup) return null;
+  return [syncGroup, syncId, syncGroup + "--" + syncId];
+}
+
+/**
+ * Initialize the tab selection.
+ *
+ */
 function ready() {
-  const li = document.getElementsByClassName("sd-tab-label");
-  for (const label of li) {
-    syncId = label.getAttribute("data-sync-id");
-    if (syncId) {
-      label.onclick = onLabelClick;
-      if (!sd_labels_by_text[syncId]) {
-        sd_labels_by_text[syncId] = [];
+  // Find all tabs with sync data
+
+  /** @type {string[]} */
+  let groups = [];
+
+  document.querySelectorAll(".sd-tab-label").forEach((label) => {
+    if (label instanceof HTMLElement) {
+      let data = create_key(label);
+      if (data) {
+        let [group, id, key] = data;
+
+        // add click event listener
+        // @ts-ignore
+        label.onclick = onSDLabelClick;
+
+        // store map of key to elements
+        if (!sd_id_to_elements[key]) {
+          sd_id_to_elements[key] = [];
+        }
+        sd_id_to_elements[key].push(label);
+
+        if (groups.indexOf(group) === -1) {
+          groups.push(group);
+          // Check if a specific tab has been selected via URL parameter
+          const tabParam = new URLSearchParams(window.location.search).get(
+            group
+          );
+          if (tabParam) {
+            console.log(
+              "sphinx-design: Selecting tab id for group '" +
+                group +
+                "' from URL parameter: " +
+                tabParam
+            );
+            window.sessionStorage.setItem(storageKeyPrefix + group, tabParam);
+          }
+        }
+
+        // Check is a specific tab has been selected previously
+        let previousId = window.sessionStorage.getItem(
+          storageKeyPrefix + group
+        );
+        if (previousId === id) {
+          // console.log(
+          //   "sphinx-design: Selecting tab from session storage: " + id
+          // );
+          // @ts-ignore
+          label.previousElementSibling.checked = true;
+        }
       }
-      sd_labels_by_text[syncId].push(label);
     }
-  }
+  });
 }
 
-function onLabelClick() {
-  // Activate other inputs with the same sync id.
-  syncId = this.getAttribute("data-sync-id");
-  for (label of sd_labels_by_text[syncId]) {
+/**
+ *  Activate other tabs with the same sync id.
+ *
+ * @this {HTMLElement} - The element that was clicked.
+ */
+function onSDLabelClick() {
+  let data = create_key(this);
+  if (!data) return;
+  let [group, id, key] = data;
+  for (const label of sd_id_to_elements[key]) {
     if (label === this) continue;
+    // @ts-ignore
     label.previousElementSibling.checked = true;
   }
-  window.localStorage.setItem("sphinx-design-last-tab", syncId);
+  window.sessionStorage.setItem(storageKeyPrefix + group, id);
 }
 
 document.addEventListener("DOMContentLoaded", ready, false);
diff --git a/_static/locales/ar/LC_MESSAGES/booktheme.po b/_static/locales/ar/LC_MESSAGES/booktheme.po
index edae2ec41..34d404c6d 100644
--- a/_static/locales/ar/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ar/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: ar\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "طباعة إلى PDF"
+
 msgid "Theme by the"
 msgstr "موضوع بواسطة"
 
-msgid "Open an issue"
-msgstr "افتح قضية"
+msgid "Download source file"
+msgstr "تنزيل ملف المصدر"
+
+msgid "open issue"
+msgstr "قضية مفتوحة"
 
 msgid "Contents"
 msgstr "محتويات"
 
+msgid "previous page"
+msgstr "الصفحة السابقة"
+
 msgid "Download notebook file"
 msgstr "تنزيل ملف دفتر الملاحظات"
 
-msgid "Sphinx Book Theme"
-msgstr "موضوع كتاب أبو الهول"
-
-msgid "Fullscreen mode"
-msgstr "وضع ملء الشاشة"
-
-msgid "Edit this page"
-msgstr "قم بتحرير هذه الصفحة"
-
-msgid "By"
-msgstr "بواسطة"
-
 msgid "Copyright"
 msgstr "حقوق النشر"
 
+msgid "Download this page"
+msgstr "قم بتنزيل هذه الصفحة"
+
 msgid "Source repository"
 msgstr "مستودع المصدر"
 
-msgid "previous page"
-msgstr "الصفحة السابقة"
+msgid "By"
+msgstr "بواسطة"
 
-msgid "next page"
-msgstr "الصفحة التالية"
+msgid "repository"
+msgstr "مخزن"
+
+msgid "Last updated on"
+msgstr "آخر تحديث في"
 
 msgid "Toggle navigation"
 msgstr "تبديل التنقل"
 
-msgid "repository"
-msgstr "مخزن"
+msgid "Sphinx Book Theme"
+msgstr "موضوع كتاب أبو الهول"
 
 msgid "suggest edit"
 msgstr "أقترح تحرير"
 
-msgid "open issue"
-msgstr "قضية مفتوحة"
+msgid "Open an issue"
+msgstr "افتح قضية"
 
 msgid "Launch"
 msgstr "إطلاق"
 
-msgid "Print to PDF"
-msgstr "طباعة إلى PDF"
+msgid "Fullscreen mode"
+msgstr "وضع ملء الشاشة"
+
+msgid "Edit this page"
+msgstr "قم بتحرير هذه الصفحة"
 
 msgid "By the"
 msgstr "بواسطة"
 
-msgid "Last updated on"
-msgstr "آخر تحديث في"
-
-msgid "Download source file"
-msgstr "تنزيل ملف المصدر"
-
-msgid "Download this page"
-msgstr "قم بتنزيل هذه الصفحة"
+msgid "next page"
+msgstr "الصفحة التالية"
diff --git a/_static/locales/bg/LC_MESSAGES/booktheme.po b/_static/locales/bg/LC_MESSAGES/booktheme.po
index 1f363b9d1..7420c19eb 100644
--- a/_static/locales/bg/LC_MESSAGES/booktheme.po
+++ b/_static/locales/bg/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: bg\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Печат в PDF"
+
 msgid "Theme by the"
 msgstr "Тема от"
 
-msgid "Open an issue"
-msgstr "Отворете проблем"
+msgid "Download source file"
+msgstr "Изтеглете изходния файл"
+
+msgid "open issue"
+msgstr "отворен брой"
 
 msgid "Contents"
 msgstr "Съдържание"
 
+msgid "previous page"
+msgstr "предишна страница"
+
 msgid "Download notebook file"
 msgstr "Изтеглете файла на бележника"
 
-msgid "Sphinx Book Theme"
-msgstr "Тема на книгата Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Режим на цял екран"
-
-msgid "Edit this page"
-msgstr "Редактирайте тази страница"
-
-msgid "By"
-msgstr "От"
-
 msgid "Copyright"
 msgstr "Авторско право"
 
+msgid "Download this page"
+msgstr "Изтеглете тази страница"
+
 msgid "Source repository"
 msgstr "Хранилище на източника"
 
-msgid "previous page"
-msgstr "предишна страница"
+msgid "By"
+msgstr "От"
 
-msgid "next page"
-msgstr "Следваща страница"
+msgid "repository"
+msgstr "хранилище"
+
+msgid "Last updated on"
+msgstr "Последна актуализация на"
 
 msgid "Toggle navigation"
 msgstr "Превключване на навигацията"
 
-msgid "repository"
-msgstr "хранилище"
+msgid "Sphinx Book Theme"
+msgstr "Тема на книгата Sphinx"
 
 msgid "suggest edit"
 msgstr "предложи редактиране"
 
-msgid "open issue"
-msgstr "отворен брой"
+msgid "Open an issue"
+msgstr "Отворете проблем"
 
 msgid "Launch"
 msgstr "Стартиране"
 
-msgid "Print to PDF"
-msgstr "Печат в PDF"
+msgid "Fullscreen mode"
+msgstr "Режим на цял екран"
+
+msgid "Edit this page"
+msgstr "Редактирайте тази страница"
 
 msgid "By the"
 msgstr "По"
 
-msgid "Last updated on"
-msgstr "Последна актуализация на"
-
-msgid "Download source file"
-msgstr "Изтеглете изходния файл"
-
-msgid "Download this page"
-msgstr "Изтеглете тази страница"
+msgid "next page"
+msgstr "Следваща страница"
diff --git a/_static/locales/bn/LC_MESSAGES/booktheme.po b/_static/locales/bn/LC_MESSAGES/booktheme.po
index fa5437286..63a07c362 100644
--- a/_static/locales/bn/LC_MESSAGES/booktheme.po
+++ b/_static/locales/bn/LC_MESSAGES/booktheme.po
@@ -8,56 +8,56 @@ msgstr ""
 "Language: bn\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "পিডিএফ প্রিন্ট করুন"
+
 msgid "Theme by the"
 msgstr "থিম দ্বারা"
 
-msgid "Open an issue"
-msgstr "একটি সমস্যা খুলুন"
-
-msgid "Download notebook file"
-msgstr "নোটবুক ফাইল ডাউনলোড করুন"
+msgid "Download source file"
+msgstr "উত্স ফাইল ডাউনলোড করুন"
 
-msgid "Sphinx Book Theme"
-msgstr "স্পিনিক্স বুক থিম"
+msgid "open issue"
+msgstr "খোলা সমস্যা"
 
-msgid "Edit this page"
-msgstr "এই পৃষ্ঠাটি সম্পাদনা করুন"
+msgid "previous page"
+msgstr "আগের পৃষ্ঠা"
 
-msgid "By"
-msgstr "দ্বারা"
+msgid "Download notebook file"
+msgstr "নোটবুক ফাইল ডাউনলোড করুন"
 
 msgid "Copyright"
 msgstr "কপিরাইট"
 
+msgid "Download this page"
+msgstr "এই পৃষ্ঠাটি ডাউনলোড করুন"
+
 msgid "Source repository"
 msgstr "উত্স সংগ্রহস্থল"
 
-msgid "previous page"
-msgstr "আগের পৃষ্ঠা"
+msgid "By"
+msgstr "দ্বারা"
 
-msgid "next page"
-msgstr "পরবর্তী পৃষ্ঠা"
+msgid "Last updated on"
+msgstr "সর্বশেষ আপডেট"
 
 msgid "Toggle navigation"
 msgstr "নেভিগেশন টগল করুন"
 
-msgid "open issue"
-msgstr "খোলা সমস্যা"
+msgid "Sphinx Book Theme"
+msgstr "স্পিনিক্স বুক থিম"
+
+msgid "Open an issue"
+msgstr "একটি সমস্যা খুলুন"
 
 msgid "Launch"
 msgstr "শুরু করা"
 
-msgid "Print to PDF"
-msgstr "পিডিএফ প্রিন্ট করুন"
+msgid "Edit this page"
+msgstr "এই পৃষ্ঠাটি সম্পাদনা করুন"
 
 msgid "By the"
 msgstr "দ্বারা"
 
-msgid "Last updated on"
-msgstr "সর্বশেষ আপডেট"
-
-msgid "Download source file"
-msgstr "উত্স ফাইল ডাউনলোড করুন"
-
-msgid "Download this page"
-msgstr "এই পৃষ্ঠাটি ডাউনলোড করুন"
+msgid "next page"
+msgstr "পরবর্তী পৃষ্ঠা"
diff --git a/_static/locales/ca/LC_MESSAGES/booktheme.po b/_static/locales/ca/LC_MESSAGES/booktheme.po
index 22f1569aa..8fb358bf1 100644
--- a/_static/locales/ca/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ca/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: ca\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Imprimeix a PDF"
+
 msgid "Theme by the"
 msgstr "Tema del"
 
-msgid "Open an issue"
-msgstr "Obriu un número"
-
-msgid "Download notebook file"
-msgstr "Descarregar fitxer de quadern"
+msgid "Download source file"
+msgstr "Baixeu el fitxer font"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema del llibre Esfinx"
+msgid "open issue"
+msgstr "número obert"
 
-msgid "Edit this page"
-msgstr "Editeu aquesta pàgina"
+msgid "previous page"
+msgstr "Pàgina anterior"
 
-msgid "By"
-msgstr "Per"
+msgid "Download notebook file"
+msgstr "Descarregar fitxer de quadern"
 
 msgid "Copyright"
 msgstr "Copyright"
 
+msgid "Download this page"
+msgstr "Descarregueu aquesta pàgina"
+
 msgid "Source repository"
 msgstr "Dipòsit de fonts"
 
-msgid "previous page"
-msgstr "Pàgina anterior"
+msgid "By"
+msgstr "Per"
 
-msgid "next page"
-msgstr "pàgina següent"
+msgid "Last updated on"
+msgstr "Darrera actualització el"
 
 msgid "Toggle navigation"
 msgstr "Commuta la navegació"
 
+msgid "Sphinx Book Theme"
+msgstr "Tema del llibre Esfinx"
+
 msgid "suggest edit"
 msgstr "suggerir edició"
 
-msgid "open issue"
-msgstr "número obert"
+msgid "Open an issue"
+msgstr "Obriu un número"
 
 msgid "Launch"
 msgstr "Llançament"
 
-msgid "Print to PDF"
-msgstr "Imprimeix a PDF"
+msgid "Edit this page"
+msgstr "Editeu aquesta pàgina"
 
 msgid "By the"
 msgstr "Per la"
 
-msgid "Last updated on"
-msgstr "Darrera actualització el"
-
-msgid "Download source file"
-msgstr "Baixeu el fitxer font"
-
-msgid "Download this page"
-msgstr "Descarregueu aquesta pàgina"
+msgid "next page"
+msgstr "pàgina següent"
diff --git a/_static/locales/cs/LC_MESSAGES/booktheme.po b/_static/locales/cs/LC_MESSAGES/booktheme.po
index afecd9e79..c6ef46908 100644
--- a/_static/locales/cs/LC_MESSAGES/booktheme.po
+++ b/_static/locales/cs/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: cs\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Tisk do PDF"
+
 msgid "Theme by the"
 msgstr "Téma od"
 
-msgid "Open an issue"
-msgstr "Otevřete problém"
+msgid "Download source file"
+msgstr "Stáhněte si zdrojový soubor"
+
+msgid "open issue"
+msgstr "otevřené číslo"
 
 msgid "Contents"
 msgstr "Obsah"
 
+msgid "previous page"
+msgstr "předchozí stránka"
+
 msgid "Download notebook file"
 msgstr "Stáhnout soubor poznámkového bloku"
 
-msgid "Sphinx Book Theme"
-msgstr "Téma knihy Sfinga"
-
-msgid "Fullscreen mode"
-msgstr "Režim celé obrazovky"
-
-msgid "Edit this page"
-msgstr "Upravit tuto stránku"
-
-msgid "By"
-msgstr "Podle"
-
 msgid "Copyright"
 msgstr "autorská práva"
 
+msgid "Download this page"
+msgstr "Stáhněte si tuto stránku"
+
 msgid "Source repository"
 msgstr "Zdrojové úložiště"
 
-msgid "previous page"
-msgstr "předchozí stránka"
+msgid "By"
+msgstr "Podle"
 
-msgid "next page"
-msgstr "další strana"
+msgid "repository"
+msgstr "úložiště"
+
+msgid "Last updated on"
+msgstr "Naposledy aktualizováno"
 
 msgid "Toggle navigation"
 msgstr "Přepnout navigaci"
 
-msgid "repository"
-msgstr "úložiště"
+msgid "Sphinx Book Theme"
+msgstr "Téma knihy Sfinga"
 
 msgid "suggest edit"
 msgstr "navrhnout úpravy"
 
-msgid "open issue"
-msgstr "otevřené číslo"
+msgid "Open an issue"
+msgstr "Otevřete problém"
 
 msgid "Launch"
 msgstr "Zahájení"
 
-msgid "Print to PDF"
-msgstr "Tisk do PDF"
+msgid "Fullscreen mode"
+msgstr "Režim celé obrazovky"
+
+msgid "Edit this page"
+msgstr "Upravit tuto stránku"
 
 msgid "By the"
 msgstr "Podle"
 
-msgid "Last updated on"
-msgstr "Naposledy aktualizováno"
-
-msgid "Download source file"
-msgstr "Stáhněte si zdrojový soubor"
-
-msgid "Download this page"
-msgstr "Stáhněte si tuto stránku"
+msgid "next page"
+msgstr "další strana"
diff --git a/_static/locales/da/LC_MESSAGES/booktheme.po b/_static/locales/da/LC_MESSAGES/booktheme.po
index 649c78a8d..306a38e52 100644
--- a/_static/locales/da/LC_MESSAGES/booktheme.po
+++ b/_static/locales/da/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: da\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Udskriv til PDF"
+
 msgid "Theme by the"
 msgstr "Tema af"
 
-msgid "Open an issue"
-msgstr "Åbn et problem"
+msgid "Download source file"
+msgstr "Download kildefil"
+
+msgid "open issue"
+msgstr "åbent nummer"
 
 msgid "Contents"
 msgstr "Indhold"
 
+msgid "previous page"
+msgstr "forrige side"
+
 msgid "Download notebook file"
 msgstr "Download notesbog-fil"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx bogtema"
-
-msgid "Fullscreen mode"
-msgstr "Fuldskærmstilstand"
-
-msgid "Edit this page"
-msgstr "Rediger denne side"
-
-msgid "By"
-msgstr "Ved"
-
 msgid "Copyright"
 msgstr "ophavsret"
 
+msgid "Download this page"
+msgstr "Download denne side"
+
 msgid "Source repository"
 msgstr "Kildelager"
 
-msgid "previous page"
-msgstr "forrige side"
+msgid "By"
+msgstr "Ved"
 
-msgid "next page"
-msgstr "Næste side"
+msgid "repository"
+msgstr "lager"
+
+msgid "Last updated on"
+msgstr "Sidst opdateret den"
 
 msgid "Toggle navigation"
 msgstr "Skift navigation"
 
-msgid "repository"
-msgstr "lager"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx bogtema"
 
 msgid "suggest edit"
 msgstr "foreslå redigering"
 
-msgid "open issue"
-msgstr "åbent nummer"
+msgid "Open an issue"
+msgstr "Åbn et problem"
 
 msgid "Launch"
 msgstr "Start"
 
-msgid "Print to PDF"
-msgstr "Udskriv til PDF"
+msgid "Fullscreen mode"
+msgstr "Fuldskærmstilstand"
+
+msgid "Edit this page"
+msgstr "Rediger denne side"
 
 msgid "By the"
 msgstr "Ved"
 
-msgid "Last updated on"
-msgstr "Sidst opdateret den"
-
-msgid "Download source file"
-msgstr "Download kildefil"
-
-msgid "Download this page"
-msgstr "Download denne side"
+msgid "next page"
+msgstr "Næste side"
diff --git a/_static/locales/de/LC_MESSAGES/booktheme.po b/_static/locales/de/LC_MESSAGES/booktheme.po
index f51d2eccd..4925360d4 100644
--- a/_static/locales/de/LC_MESSAGES/booktheme.po
+++ b/_static/locales/de/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: de\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "In PDF drucken"
+
 msgid "Theme by the"
 msgstr "Thema von der"
 
-msgid "Open an issue"
-msgstr "Öffnen Sie ein Problem"
+msgid "Download source file"
+msgstr "Quelldatei herunterladen"
+
+msgid "open issue"
+msgstr "offenes Thema"
 
 msgid "Contents"
 msgstr "Inhalt"
 
+msgid "previous page"
+msgstr "vorherige Seite"
+
 msgid "Download notebook file"
 msgstr "Notebook-Datei herunterladen"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx-Buch-Thema"
-
-msgid "Fullscreen mode"
-msgstr "Vollbildmodus"
-
-msgid "Edit this page"
-msgstr "Bearbeite diese Seite"
-
-msgid "By"
-msgstr "Durch"
-
 msgid "Copyright"
 msgstr "Urheberrechte ©"
 
+msgid "Download this page"
+msgstr "Laden Sie diese Seite herunter"
+
 msgid "Source repository"
 msgstr "Quell-Repository"
 
-msgid "previous page"
-msgstr "vorherige Seite"
+msgid "By"
+msgstr "Durch"
 
-msgid "next page"
-msgstr "Nächste Seite"
+msgid "repository"
+msgstr "Repository"
+
+msgid "Last updated on"
+msgstr "Zuletzt aktualisiert am"
 
 msgid "Toggle navigation"
 msgstr "Navigation umschalten"
 
-msgid "repository"
-msgstr "Repository"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx-Buch-Thema"
 
 msgid "suggest edit"
 msgstr "vorschlagen zu bearbeiten"
 
-msgid "open issue"
-msgstr "offenes Thema"
+msgid "Open an issue"
+msgstr "Öffnen Sie ein Problem"
 
 msgid "Launch"
 msgstr "Starten"
 
-msgid "Print to PDF"
-msgstr "In PDF drucken"
+msgid "Fullscreen mode"
+msgstr "Vollbildmodus"
+
+msgid "Edit this page"
+msgstr "Bearbeite diese Seite"
 
 msgid "By the"
 msgstr "Bis zum"
 
-msgid "Last updated on"
-msgstr "Zuletzt aktualisiert am"
-
-msgid "Download source file"
-msgstr "Quelldatei herunterladen"
-
-msgid "Download this page"
-msgstr "Laden Sie diese Seite herunter"
+msgid "next page"
+msgstr "Nächste Seite"
diff --git a/_static/locales/el/LC_MESSAGES/booktheme.po b/_static/locales/el/LC_MESSAGES/booktheme.po
index 8bec7905b..3e01acbd9 100644
--- a/_static/locales/el/LC_MESSAGES/booktheme.po
+++ b/_static/locales/el/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: el\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Εκτύπωση σε PDF"
+
 msgid "Theme by the"
 msgstr "Θέμα από το"
 
-msgid "Open an issue"
-msgstr "Ανοίξτε ένα ζήτημα"
+msgid "Download source file"
+msgstr "Λήψη αρχείου προέλευσης"
+
+msgid "open issue"
+msgstr "ανοιχτό ζήτημα"
 
 msgid "Contents"
 msgstr "Περιεχόμενα"
 
+msgid "previous page"
+msgstr "προηγούμενη σελίδα"
+
 msgid "Download notebook file"
 msgstr "Λήψη αρχείου σημειωματάριου"
 
-msgid "Sphinx Book Theme"
-msgstr "Θέμα βιβλίου Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "ΛΕΙΤΟΥΡΓΙΑ ΠΛΗΡΟΥΣ ΟΘΟΝΗΣ"
-
-msgid "Edit this page"
-msgstr "Επεξεργαστείτε αυτήν τη σελίδα"
-
-msgid "By"
-msgstr "Με"
-
 msgid "Copyright"
 msgstr "Πνευματική ιδιοκτησία"
 
+msgid "Download this page"
+msgstr "Λήψη αυτής της σελίδας"
+
 msgid "Source repository"
 msgstr "Αποθήκη πηγής"
 
-msgid "previous page"
-msgstr "προηγούμενη σελίδα"
+msgid "By"
+msgstr "Με"
 
-msgid "next page"
-msgstr "επόμενη σελίδα"
+msgid "repository"
+msgstr "αποθήκη"
+
+msgid "Last updated on"
+msgstr "Τελευταία ενημέρωση στις"
 
 msgid "Toggle navigation"
 msgstr "Εναλλαγή πλοήγησης"
 
-msgid "repository"
-msgstr "αποθήκη"
+msgid "Sphinx Book Theme"
+msgstr "Θέμα βιβλίου Sphinx"
 
 msgid "suggest edit"
 msgstr "προτείνω επεξεργασία"
 
-msgid "open issue"
-msgstr "ανοιχτό ζήτημα"
+msgid "Open an issue"
+msgstr "Ανοίξτε ένα ζήτημα"
 
 msgid "Launch"
 msgstr "Εκτόξευση"
 
-msgid "Print to PDF"
-msgstr "Εκτύπωση σε PDF"
+msgid "Fullscreen mode"
+msgstr "ΛΕΙΤΟΥΡΓΙΑ ΠΛΗΡΟΥΣ ΟΘΟΝΗΣ"
+
+msgid "Edit this page"
+msgstr "Επεξεργαστείτε αυτήν τη σελίδα"
 
 msgid "By the"
 msgstr "Από το"
 
-msgid "Last updated on"
-msgstr "Τελευταία ενημέρωση στις"
-
-msgid "Download source file"
-msgstr "Λήψη αρχείου προέλευσης"
-
-msgid "Download this page"
-msgstr "Λήψη αυτής της σελίδας"
+msgid "next page"
+msgstr "επόμενη σελίδα"
diff --git a/_static/locales/eo/LC_MESSAGES/booktheme.po b/_static/locales/eo/LC_MESSAGES/booktheme.po
index d72a0481e..f7ed2262d 100644
--- a/_static/locales/eo/LC_MESSAGES/booktheme.po
+++ b/_static/locales/eo/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: eo\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Presi al PDF"
+
 msgid "Theme by the"
 msgstr "Temo de la"
 
-msgid "Open an issue"
-msgstr "Malfermu numeron"
+msgid "Download source file"
+msgstr "Elŝutu fontodosieron"
+
+msgid "open issue"
+msgstr "malferma numero"
 
 msgid "Contents"
 msgstr "Enhavo"
 
+msgid "previous page"
+msgstr "antaŭa paĝo"
+
 msgid "Download notebook file"
 msgstr "Elŝutu kajeran dosieron"
 
-msgid "Sphinx Book Theme"
-msgstr "Sfinksa Libro-Temo"
-
-msgid "Fullscreen mode"
-msgstr "Plenekrana reĝimo"
-
-msgid "Edit this page"
-msgstr "Redaktu ĉi tiun paĝon"
-
-msgid "By"
-msgstr "De"
-
 msgid "Copyright"
 msgstr "Kopirajto"
 
+msgid "Download this page"
+msgstr "Elŝutu ĉi tiun paĝon"
+
 msgid "Source repository"
 msgstr "Fonto-deponejo"
 
-msgid "previous page"
-msgstr "antaŭa paĝo"
+msgid "By"
+msgstr "De"
 
-msgid "next page"
-msgstr "sekva paĝo"
+msgid "repository"
+msgstr "deponejo"
+
+msgid "Last updated on"
+msgstr "Laste ĝisdatigita la"
 
 msgid "Toggle navigation"
 msgstr "Ŝalti navigadon"
 
-msgid "repository"
-msgstr "deponejo"
+msgid "Sphinx Book Theme"
+msgstr "Sfinksa Libro-Temo"
 
 msgid "suggest edit"
 msgstr "sugesti redaktadon"
 
-msgid "open issue"
-msgstr "malferma numero"
+msgid "Open an issue"
+msgstr "Malfermu numeron"
 
 msgid "Launch"
 msgstr "Lanĉo"
 
-msgid "Print to PDF"
-msgstr "Presi al PDF"
+msgid "Fullscreen mode"
+msgstr "Plenekrana reĝimo"
+
+msgid "Edit this page"
+msgstr "Redaktu ĉi tiun paĝon"
 
 msgid "By the"
 msgstr "Per la"
 
-msgid "Last updated on"
-msgstr "Laste ĝisdatigita la"
-
-msgid "Download source file"
-msgstr "Elŝutu fontodosieron"
-
-msgid "Download this page"
-msgstr "Elŝutu ĉi tiun paĝon"
+msgid "next page"
+msgstr "sekva paĝo"
diff --git a/_static/locales/es/LC_MESSAGES/booktheme.po b/_static/locales/es/LC_MESSAGES/booktheme.po
index 611834b29..5e0029e5f 100644
--- a/_static/locales/es/LC_MESSAGES/booktheme.po
+++ b/_static/locales/es/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: es\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Imprimir en PDF"
+
 msgid "Theme by the"
 msgstr "Tema por el"
 
-msgid "Open an issue"
-msgstr "Abrir un problema"
+msgid "Download source file"
+msgstr "Descargar archivo fuente"
+
+msgid "open issue"
+msgstr "Tema abierto"
 
 msgid "Contents"
 msgstr "Contenido"
 
+msgid "previous page"
+msgstr "pagina anterior"
+
 msgid "Download notebook file"
 msgstr "Descargar archivo de cuaderno"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema del libro de la esfinge"
-
-msgid "Fullscreen mode"
-msgstr "Modo de pantalla completa"
-
-msgid "Edit this page"
-msgstr "Edita esta página"
-
-msgid "By"
-msgstr "Por"
-
 msgid "Copyright"
 msgstr "Derechos de autor"
 
+msgid "Download this page"
+msgstr "Descarga esta pagina"
+
 msgid "Source repository"
 msgstr "Repositorio de origen"
 
-msgid "previous page"
-msgstr "pagina anterior"
+msgid "By"
+msgstr "Por"
 
-msgid "next page"
-msgstr "siguiente página"
+msgid "repository"
+msgstr "repositorio"
+
+msgid "Last updated on"
+msgstr "Ultima actualización en"
 
 msgid "Toggle navigation"
 msgstr "Navegación de palanca"
 
-msgid "repository"
-msgstr "repositorio"
+msgid "Sphinx Book Theme"
+msgstr "Tema del libro de la esfinge"
 
 msgid "suggest edit"
 msgstr "sugerir editar"
 
-msgid "open issue"
-msgstr "Tema abierto"
+msgid "Open an issue"
+msgstr "Abrir un problema"
 
 msgid "Launch"
 msgstr "Lanzamiento"
 
-msgid "Print to PDF"
-msgstr "Imprimir en PDF"
+msgid "Fullscreen mode"
+msgstr "Modo de pantalla completa"
+
+msgid "Edit this page"
+msgstr "Edita esta página"
 
 msgid "By the"
 msgstr "Por el"
 
-msgid "Last updated on"
-msgstr "Ultima actualización en"
-
-msgid "Download source file"
-msgstr "Descargar archivo fuente"
-
-msgid "Download this page"
-msgstr "Descarga esta pagina"
+msgid "next page"
+msgstr "siguiente página"
diff --git a/_static/locales/et/LC_MESSAGES/booktheme.po b/_static/locales/et/LC_MESSAGES/booktheme.po
index 345088f02..8680982a9 100644
--- a/_static/locales/et/LC_MESSAGES/booktheme.po
+++ b/_static/locales/et/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: et\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Prindi PDF-i"
+
 msgid "Theme by the"
 msgstr "Teema"
 
-msgid "Open an issue"
-msgstr "Avage probleem"
+msgid "Download source file"
+msgstr "Laadige alla lähtefail"
+
+msgid "open issue"
+msgstr "avatud küsimus"
 
 msgid "Contents"
 msgstr "Sisu"
 
+msgid "previous page"
+msgstr "eelmine leht"
+
 msgid "Download notebook file"
 msgstr "Laadige sülearvuti fail alla"
 
-msgid "Sphinx Book Theme"
-msgstr "Sfinksiraamatu teema"
-
-msgid "Fullscreen mode"
-msgstr "Täisekraanirežiim"
-
-msgid "Edit this page"
-msgstr "Muutke seda lehte"
-
-msgid "By"
-msgstr "Kõrval"
-
 msgid "Copyright"
 msgstr "Autoriõigus"
 
+msgid "Download this page"
+msgstr "Laadige see leht alla"
+
 msgid "Source repository"
 msgstr "Allikahoidla"
 
-msgid "previous page"
-msgstr "eelmine leht"
+msgid "By"
+msgstr "Kõrval"
 
-msgid "next page"
-msgstr "järgmine leht"
+msgid "repository"
+msgstr "hoidla"
+
+msgid "Last updated on"
+msgstr "Viimati uuendatud"
 
 msgid "Toggle navigation"
 msgstr "Lülita navigeerimine sisse"
 
-msgid "repository"
-msgstr "hoidla"
+msgid "Sphinx Book Theme"
+msgstr "Sfinksiraamatu teema"
 
 msgid "suggest edit"
 msgstr "soovita muuta"
 
-msgid "open issue"
-msgstr "avatud küsimus"
+msgid "Open an issue"
+msgstr "Avage probleem"
 
 msgid "Launch"
 msgstr "Käivitage"
 
-msgid "Print to PDF"
-msgstr "Prindi PDF-i"
+msgid "Fullscreen mode"
+msgstr "Täisekraanirežiim"
+
+msgid "Edit this page"
+msgstr "Muutke seda lehte"
 
 msgid "By the"
 msgstr "Autor"
 
-msgid "Last updated on"
-msgstr "Viimati uuendatud"
-
-msgid "Download source file"
-msgstr "Laadige alla lähtefail"
-
-msgid "Download this page"
-msgstr "Laadige see leht alla"
+msgid "next page"
+msgstr "järgmine leht"
diff --git a/_static/locales/fi/LC_MESSAGES/booktheme.po b/_static/locales/fi/LC_MESSAGES/booktheme.po
index d97a08dc3..34dac2183 100644
--- a/_static/locales/fi/LC_MESSAGES/booktheme.po
+++ b/_static/locales/fi/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: fi\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Tulosta PDF-tiedostoon"
+
 msgid "Theme by the"
 msgstr "Teeman tekijä"
 
-msgid "Open an issue"
-msgstr "Avaa ongelma"
+msgid "Download source file"
+msgstr "Lataa lähdetiedosto"
+
+msgid "open issue"
+msgstr "avoin ongelma"
 
 msgid "Contents"
 msgstr "Sisällys"
 
+msgid "previous page"
+msgstr "Edellinen sivu"
+
 msgid "Download notebook file"
 msgstr "Lataa muistikirjatiedosto"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx-kirjan teema"
-
-msgid "Fullscreen mode"
-msgstr "Koko näytön tila"
-
-msgid "Edit this page"
-msgstr "Muokkaa tätä sivua"
-
-msgid "By"
-msgstr "Tekijä"
-
 msgid "Copyright"
 msgstr "Tekijänoikeus"
 
+msgid "Download this page"
+msgstr "Lataa tämä sivu"
+
 msgid "Source repository"
 msgstr "Lähteen arkisto"
 
-msgid "previous page"
-msgstr "Edellinen sivu"
+msgid "By"
+msgstr "Tekijä"
 
-msgid "next page"
-msgstr "seuraava sivu"
+msgid "repository"
+msgstr "arkisto"
+
+msgid "Last updated on"
+msgstr "Viimeksi päivitetty"
 
 msgid "Toggle navigation"
 msgstr "Vaihda navigointia"
 
-msgid "repository"
-msgstr "arkisto"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx-kirjan teema"
 
 msgid "suggest edit"
 msgstr "ehdottaa muokkausta"
 
-msgid "open issue"
-msgstr "avoin ongelma"
+msgid "Open an issue"
+msgstr "Avaa ongelma"
 
 msgid "Launch"
 msgstr "Tuoda markkinoille"
 
-msgid "Print to PDF"
-msgstr "Tulosta PDF-tiedostoon"
+msgid "Fullscreen mode"
+msgstr "Koko näytön tila"
+
+msgid "Edit this page"
+msgstr "Muokkaa tätä sivua"
 
 msgid "By the"
 msgstr "Mukaan"
 
-msgid "Last updated on"
-msgstr "Viimeksi päivitetty"
-
-msgid "Download source file"
-msgstr "Lataa lähdetiedosto"
-
-msgid "Download this page"
-msgstr "Lataa tämä sivu"
+msgid "next page"
+msgstr "seuraava sivu"
diff --git a/_static/locales/fr/LC_MESSAGES/booktheme.po b/_static/locales/fr/LC_MESSAGES/booktheme.po
index 88f35173f..8991a1b87 100644
--- a/_static/locales/fr/LC_MESSAGES/booktheme.po
+++ b/_static/locales/fr/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: fr\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Imprimer au format PDF"
+
 msgid "Theme by the"
 msgstr "Thème par le"
 
-msgid "Open an issue"
-msgstr "Ouvrez un problème"
+msgid "Download source file"
+msgstr "Télécharger le fichier source"
+
+msgid "open issue"
+msgstr "signaler un problème"
 
 msgid "Contents"
 msgstr "Contenu"
 
+msgid "previous page"
+msgstr "page précédente"
+
 msgid "Download notebook file"
 msgstr "Télécharger le fichier notebook"
 
-msgid "Sphinx Book Theme"
-msgstr "Thème du livre Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Mode plein écran"
-
-msgid "Edit this page"
-msgstr "Modifier cette page"
-
-msgid "By"
-msgstr "Par"
-
 msgid "Copyright"
 msgstr "droits d'auteur"
 
+msgid "Download this page"
+msgstr "Téléchargez cette page"
+
 msgid "Source repository"
 msgstr "Dépôt source"
 
-msgid "previous page"
-msgstr "page précédente"
+msgid "By"
+msgstr "Par"
 
-msgid "next page"
-msgstr "page suivante"
+msgid "repository"
+msgstr "dépôt"
+
+msgid "Last updated on"
+msgstr "Dernière mise à jour le"
 
 msgid "Toggle navigation"
 msgstr "Basculer la navigation"
 
-msgid "repository"
-msgstr "dépôt"
+msgid "Sphinx Book Theme"
+msgstr "Thème du livre Sphinx"
 
 msgid "suggest edit"
 msgstr "suggestion de modification"
 
-msgid "open issue"
-msgstr "signaler un problème"
+msgid "Open an issue"
+msgstr "Ouvrez un problème"
 
 msgid "Launch"
 msgstr "lancement"
 
-msgid "Print to PDF"
-msgstr "Imprimer au format PDF"
+msgid "Fullscreen mode"
+msgstr "Mode plein écran"
+
+msgid "Edit this page"
+msgstr "Modifier cette page"
 
 msgid "By the"
 msgstr "Par le"
 
-msgid "Last updated on"
-msgstr "Dernière mise à jour le"
-
-msgid "Download source file"
-msgstr "Télécharger le fichier source"
-
-msgid "Download this page"
-msgstr "Téléchargez cette page"
+msgid "next page"
+msgstr "page suivante"
diff --git a/_static/locales/hr/LC_MESSAGES/booktheme.po b/_static/locales/hr/LC_MESSAGES/booktheme.po
index fb9440ac3..42c4233d0 100644
--- a/_static/locales/hr/LC_MESSAGES/booktheme.po
+++ b/_static/locales/hr/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: hr\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Ispis u PDF"
+
 msgid "Theme by the"
 msgstr "Tema autora"
 
-msgid "Open an issue"
-msgstr "Otvorite izdanje"
+msgid "Download source file"
+msgstr "Preuzmi izvornu datoteku"
+
+msgid "open issue"
+msgstr "otvoreno izdanje"
 
 msgid "Contents"
 msgstr "Sadržaj"
 
+msgid "previous page"
+msgstr "Prethodna stranica"
+
 msgid "Download notebook file"
 msgstr "Preuzmi datoteku bilježnice"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema knjige Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Način preko cijelog zaslona"
-
-msgid "Edit this page"
-msgstr "Uredite ovu stranicu"
-
-msgid "By"
-msgstr "Po"
-
 msgid "Copyright"
 msgstr "Autorska prava"
 
+msgid "Download this page"
+msgstr "Preuzmite ovu stranicu"
+
 msgid "Source repository"
 msgstr "Izvorno spremište"
 
-msgid "previous page"
-msgstr "Prethodna stranica"
+msgid "By"
+msgstr "Po"
 
-msgid "next page"
-msgstr "sljedeća stranica"
+msgid "repository"
+msgstr "spremište"
+
+msgid "Last updated on"
+msgstr "Posljednje ažuriranje:"
 
 msgid "Toggle navigation"
 msgstr "Uključi / isključi navigaciju"
 
-msgid "repository"
-msgstr "spremište"
+msgid "Sphinx Book Theme"
+msgstr "Tema knjige Sphinx"
 
 msgid "suggest edit"
 msgstr "predloži uređivanje"
 
-msgid "open issue"
-msgstr "otvoreno izdanje"
+msgid "Open an issue"
+msgstr "Otvorite izdanje"
 
 msgid "Launch"
 msgstr "Pokrenite"
 
-msgid "Print to PDF"
-msgstr "Ispis u PDF"
+msgid "Fullscreen mode"
+msgstr "Način preko cijelog zaslona"
+
+msgid "Edit this page"
+msgstr "Uredite ovu stranicu"
 
 msgid "By the"
 msgstr "Od strane"
 
-msgid "Last updated on"
-msgstr "Posljednje ažuriranje:"
-
-msgid "Download source file"
-msgstr "Preuzmi izvornu datoteku"
-
-msgid "Download this page"
-msgstr "Preuzmite ovu stranicu"
+msgid "next page"
+msgstr "sljedeća stranica"
diff --git a/_static/locales/id/LC_MESSAGES/booktheme.po b/_static/locales/id/LC_MESSAGES/booktheme.po
index 9ffb56f78..b8d8d898e 100644
--- a/_static/locales/id/LC_MESSAGES/booktheme.po
+++ b/_static/locales/id/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: id\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Cetak ke PDF"
+
 msgid "Theme by the"
 msgstr "Tema oleh"
 
-msgid "Open an issue"
-msgstr "Buka masalah"
+msgid "Download source file"
+msgstr "Unduh file sumber"
+
+msgid "open issue"
+msgstr "masalah terbuka"
 
 msgid "Contents"
 msgstr "Isi"
 
+msgid "previous page"
+msgstr "halaman sebelumnya"
+
 msgid "Download notebook file"
 msgstr "Unduh file notebook"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema Buku Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Mode layar penuh"
-
-msgid "Edit this page"
-msgstr "Edit halaman ini"
-
-msgid "By"
-msgstr "Oleh"
-
 msgid "Copyright"
 msgstr "hak cipta"
 
+msgid "Download this page"
+msgstr "Unduh halaman ini"
+
 msgid "Source repository"
 msgstr "Repositori sumber"
 
-msgid "previous page"
-msgstr "halaman sebelumnya"
+msgid "By"
+msgstr "Oleh"
 
-msgid "next page"
-msgstr "halaman selanjutnya"
+msgid "repository"
+msgstr "gudang"
+
+msgid "Last updated on"
+msgstr "Terakhir diperbarui saat"
 
 msgid "Toggle navigation"
 msgstr "Alihkan navigasi"
 
-msgid "repository"
-msgstr "gudang"
+msgid "Sphinx Book Theme"
+msgstr "Tema Buku Sphinx"
 
 msgid "suggest edit"
 msgstr "menyarankan edit"
 
-msgid "open issue"
-msgstr "masalah terbuka"
+msgid "Open an issue"
+msgstr "Buka masalah"
 
 msgid "Launch"
 msgstr "Meluncurkan"
 
-msgid "Print to PDF"
-msgstr "Cetak ke PDF"
+msgid "Fullscreen mode"
+msgstr "Mode layar penuh"
+
+msgid "Edit this page"
+msgstr "Edit halaman ini"
 
 msgid "By the"
 msgstr "Oleh"
 
-msgid "Last updated on"
-msgstr "Terakhir diperbarui saat"
-
-msgid "Download source file"
-msgstr "Unduh file sumber"
-
-msgid "Download this page"
-msgstr "Unduh halaman ini"
+msgid "next page"
+msgstr "halaman selanjutnya"
diff --git a/_static/locales/it/LC_MESSAGES/booktheme.po b/_static/locales/it/LC_MESSAGES/booktheme.po
index 04308dd21..36fca59f8 100644
--- a/_static/locales/it/LC_MESSAGES/booktheme.po
+++ b/_static/locales/it/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: it\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Stampa in PDF"
+
 msgid "Theme by the"
 msgstr "Tema di"
 
-msgid "Open an issue"
-msgstr "Apri un problema"
+msgid "Download source file"
+msgstr "Scarica il file sorgente"
+
+msgid "open issue"
+msgstr "questione aperta"
 
 msgid "Contents"
 msgstr "Contenuti"
 
+msgid "previous page"
+msgstr "pagina precedente"
+
 msgid "Download notebook file"
 msgstr "Scarica il file del taccuino"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema del libro della Sfinge"
-
-msgid "Fullscreen mode"
-msgstr "Modalità schermo intero"
-
-msgid "Edit this page"
-msgstr "Modifica questa pagina"
-
-msgid "By"
-msgstr "Di"
-
 msgid "Copyright"
 msgstr "Diritto d'autore"
 
+msgid "Download this page"
+msgstr "Scarica questa pagina"
+
 msgid "Source repository"
 msgstr "Repository di origine"
 
-msgid "previous page"
-msgstr "pagina precedente"
+msgid "By"
+msgstr "Di"
 
-msgid "next page"
-msgstr "pagina successiva"
+msgid "repository"
+msgstr "repository"
+
+msgid "Last updated on"
+msgstr "Ultimo aggiornamento il"
 
 msgid "Toggle navigation"
 msgstr "Attiva / disattiva la navigazione"
 
-msgid "repository"
-msgstr "repository"
+msgid "Sphinx Book Theme"
+msgstr "Tema del libro della Sfinge"
 
 msgid "suggest edit"
 msgstr "suggerisci modifica"
 
-msgid "open issue"
-msgstr "questione aperta"
+msgid "Open an issue"
+msgstr "Apri un problema"
 
 msgid "Launch"
 msgstr "Lanciare"
 
-msgid "Print to PDF"
-msgstr "Stampa in PDF"
+msgid "Fullscreen mode"
+msgstr "Modalità schermo intero"
+
+msgid "Edit this page"
+msgstr "Modifica questa pagina"
 
 msgid "By the"
 msgstr "Dal"
 
-msgid "Last updated on"
-msgstr "Ultimo aggiornamento il"
-
-msgid "Download source file"
-msgstr "Scarica il file sorgente"
-
-msgid "Download this page"
-msgstr "Scarica questa pagina"
+msgid "next page"
+msgstr "pagina successiva"
diff --git a/_static/locales/iw/LC_MESSAGES/booktheme.po b/_static/locales/iw/LC_MESSAGES/booktheme.po
index 4ea190d3b..dede9cb08 100644
--- a/_static/locales/iw/LC_MESSAGES/booktheme.po
+++ b/_static/locales/iw/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: iw\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "הדפס לקובץ PDF"
+
 msgid "Theme by the"
 msgstr "נושא מאת"
 
-msgid "Open an issue"
-msgstr "פתח גיליון"
+msgid "Download source file"
+msgstr "הורד את קובץ המקור"
+
+msgid "open issue"
+msgstr "בעיה פתוחה"
 
 msgid "Contents"
 msgstr "תוכן"
 
+msgid "previous page"
+msgstr "עמוד קודם"
+
 msgid "Download notebook file"
 msgstr "הורד קובץ מחברת"
 
-msgid "Sphinx Book Theme"
-msgstr "נושא ספר ספינקס"
-
-msgid "Fullscreen mode"
-msgstr "מצב מסך מלא"
-
-msgid "Edit this page"
-msgstr "ערוך דף זה"
-
-msgid "By"
-msgstr "על ידי"
-
 msgid "Copyright"
 msgstr "זכויות יוצרים"
 
+msgid "Download this page"
+msgstr "הורד דף זה"
+
 msgid "Source repository"
 msgstr "מאגר המקורות"
 
-msgid "previous page"
-msgstr "עמוד קודם"
+msgid "By"
+msgstr "על ידי"
 
-msgid "next page"
-msgstr "עמוד הבא"
+msgid "repository"
+msgstr "מאגר"
+
+msgid "Last updated on"
+msgstr "עודכן לאחרונה ב"
 
 msgid "Toggle navigation"
 msgstr "החלף ניווט"
 
-msgid "repository"
-msgstr "מאגר"
+msgid "Sphinx Book Theme"
+msgstr "נושא ספר ספינקס"
 
 msgid "suggest edit"
 msgstr "מציע לערוך"
 
-msgid "open issue"
-msgstr "בעיה פתוחה"
+msgid "Open an issue"
+msgstr "פתח גיליון"
 
 msgid "Launch"
 msgstr "לְהַשִׁיק"
 
-msgid "Print to PDF"
-msgstr "הדפס לקובץ PDF"
+msgid "Fullscreen mode"
+msgstr "מצב מסך מלא"
+
+msgid "Edit this page"
+msgstr "ערוך דף זה"
 
 msgid "By the"
 msgstr "דרך"
 
-msgid "Last updated on"
-msgstr "עודכן לאחרונה ב"
-
-msgid "Download source file"
-msgstr "הורד את קובץ המקור"
-
-msgid "Download this page"
-msgstr "הורד דף זה"
+msgid "next page"
+msgstr "עמוד הבא"
diff --git a/_static/locales/ja/LC_MESSAGES/booktheme.po b/_static/locales/ja/LC_MESSAGES/booktheme.po
index 77d5a0971..2615f0d87 100644
--- a/_static/locales/ja/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ja/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: ja\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDFに印刷"
+
 msgid "Theme by the"
 msgstr "のテーマ"
 
-msgid "Open an issue"
-msgstr "問題を報告"
+msgid "Download source file"
+msgstr "ソースファイルをダウンロード"
+
+msgid "open issue"
+msgstr "未解決の問題"
 
 msgid "Contents"
 msgstr "目次"
 
+msgid "previous page"
+msgstr "前のページ"
+
 msgid "Download notebook file"
 msgstr "ノートブックファイルをダウンロード"
 
-msgid "Sphinx Book Theme"
-msgstr "スフィンクスの本のテーマ"
-
-msgid "Fullscreen mode"
-msgstr "全画面モード"
-
-msgid "Edit this page"
-msgstr "このページを編集"
-
-msgid "By"
-msgstr "著者"
-
 msgid "Copyright"
 msgstr "Copyright"
 
+msgid "Download this page"
+msgstr "このページをダウンロード"
+
 msgid "Source repository"
 msgstr "ソースリポジトリ"
 
-msgid "previous page"
-msgstr "前のページ"
+msgid "By"
+msgstr "著者"
 
-msgid "next page"
-msgstr "次のページ"
+msgid "repository"
+msgstr "リポジトリ"
+
+msgid "Last updated on"
+msgstr "最終更新日"
 
 msgid "Toggle navigation"
 msgstr "ナビゲーションを切り替え"
 
-msgid "repository"
-msgstr "リポジトリ"
+msgid "Sphinx Book Theme"
+msgstr "スフィンクスの本のテーマ"
 
 msgid "suggest edit"
 msgstr "編集を提案する"
 
-msgid "open issue"
-msgstr "未解決の問題"
+msgid "Open an issue"
+msgstr "問題を報告"
 
 msgid "Launch"
 msgstr "起動"
 
-msgid "Print to PDF"
-msgstr "PDFに印刷"
+msgid "Fullscreen mode"
+msgstr "全画面モード"
+
+msgid "Edit this page"
+msgstr "このページを編集"
 
 msgid "By the"
 msgstr "によって"
 
-msgid "Last updated on"
-msgstr "最終更新日"
-
-msgid "Download source file"
-msgstr "ソースファイルをダウンロード"
-
-msgid "Download this page"
-msgstr "このページをダウンロード"
+msgid "next page"
+msgstr "次のページ"
diff --git a/_static/locales/ko/LC_MESSAGES/booktheme.po b/_static/locales/ko/LC_MESSAGES/booktheme.po
index 6ee3d7813..c9e13a427 100644
--- a/_static/locales/ko/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ko/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: ko\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDF로 인쇄"
+
 msgid "Theme by the"
 msgstr "테마별"
 
-msgid "Open an issue"
-msgstr "이슈 열기"
+msgid "Download source file"
+msgstr "소스 파일 다운로드"
+
+msgid "open issue"
+msgstr "열린 문제"
 
 msgid "Contents"
 msgstr "내용"
 
+msgid "previous page"
+msgstr "이전 페이지"
+
 msgid "Download notebook file"
 msgstr "노트북 파일 다운로드"
 
-msgid "Sphinx Book Theme"
-msgstr "스핑크스 도서 테마"
-
-msgid "Fullscreen mode"
-msgstr "전체 화면으로보기"
-
-msgid "Edit this page"
-msgstr "이 페이지 편집"
-
-msgid "By"
-msgstr "으로"
-
 msgid "Copyright"
 msgstr "저작권"
 
+msgid "Download this page"
+msgstr "이 페이지 다운로드"
+
 msgid "Source repository"
 msgstr "소스 저장소"
 
-msgid "previous page"
-msgstr "이전 페이지"
+msgid "By"
+msgstr "으로"
 
-msgid "next page"
-msgstr "다음 페이지"
+msgid "repository"
+msgstr "저장소"
+
+msgid "Last updated on"
+msgstr "마지막 업데이트"
 
 msgid "Toggle navigation"
 msgstr "탐색 전환"
 
-msgid "repository"
-msgstr "저장소"
+msgid "Sphinx Book Theme"
+msgstr "스핑크스 도서 테마"
 
 msgid "suggest edit"
 msgstr "편집 제안"
 
-msgid "open issue"
-msgstr "열린 문제"
+msgid "Open an issue"
+msgstr "이슈 열기"
 
 msgid "Launch"
 msgstr "시작하다"
 
-msgid "Print to PDF"
-msgstr "PDF로 인쇄"
+msgid "Fullscreen mode"
+msgstr "전체 화면으로보기"
+
+msgid "Edit this page"
+msgstr "이 페이지 편집"
 
 msgid "By the"
 msgstr "에 의해"
 
-msgid "Last updated on"
-msgstr "마지막 업데이트"
-
-msgid "Download source file"
-msgstr "소스 파일 다운로드"
-
-msgid "Download this page"
-msgstr "이 페이지 다운로드"
+msgid "next page"
+msgstr "다음 페이지"
diff --git a/_static/locales/lt/LC_MESSAGES/booktheme.po b/_static/locales/lt/LC_MESSAGES/booktheme.po
index 01be26798..35eabd955 100644
--- a/_static/locales/lt/LC_MESSAGES/booktheme.po
+++ b/_static/locales/lt/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: lt\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Spausdinti į PDF"
+
 msgid "Theme by the"
 msgstr "Tema"
 
-msgid "Open an issue"
-msgstr "Atidarykite problemą"
+msgid "Download source file"
+msgstr "Atsisiųsti šaltinio failą"
+
+msgid "open issue"
+msgstr "atviras klausimas"
 
 msgid "Contents"
 msgstr "Turinys"
 
+msgid "previous page"
+msgstr "Ankstesnis puslapis"
+
 msgid "Download notebook file"
 msgstr "Atsisiųsti nešiojamojo kompiuterio failą"
 
-msgid "Sphinx Book Theme"
-msgstr "Sfinkso knygos tema"
-
-msgid "Fullscreen mode"
-msgstr "Pilno ekrano režimas"
-
-msgid "Edit this page"
-msgstr "Redaguoti šį puslapį"
-
-msgid "By"
-msgstr "Iki"
-
 msgid "Copyright"
 msgstr "Autorių teisės"
 
+msgid "Download this page"
+msgstr "Atsisiųskite šį puslapį"
+
 msgid "Source repository"
 msgstr "Šaltinio saugykla"
 
-msgid "previous page"
-msgstr "Ankstesnis puslapis"
+msgid "By"
+msgstr "Iki"
 
-msgid "next page"
-msgstr "Kitas puslapis"
+msgid "repository"
+msgstr "saugykla"
+
+msgid "Last updated on"
+msgstr "Paskutinį kartą atnaujinta"
 
 msgid "Toggle navigation"
 msgstr "Perjungti naršymą"
 
-msgid "repository"
-msgstr "saugykla"
+msgid "Sphinx Book Theme"
+msgstr "Sfinkso knygos tema"
 
 msgid "suggest edit"
 msgstr "pasiūlyti redaguoti"
 
-msgid "open issue"
-msgstr "atviras klausimas"
+msgid "Open an issue"
+msgstr "Atidarykite problemą"
 
 msgid "Launch"
 msgstr "Paleiskite"
 
-msgid "Print to PDF"
-msgstr "Spausdinti į PDF"
+msgid "Fullscreen mode"
+msgstr "Pilno ekrano režimas"
+
+msgid "Edit this page"
+msgstr "Redaguoti šį puslapį"
 
 msgid "By the"
 msgstr "Prie"
 
-msgid "Last updated on"
-msgstr "Paskutinį kartą atnaujinta"
-
-msgid "Download source file"
-msgstr "Atsisiųsti šaltinio failą"
-
-msgid "Download this page"
-msgstr "Atsisiųskite šį puslapį"
+msgid "next page"
+msgstr "Kitas puslapis"
diff --git a/_static/locales/lv/LC_MESSAGES/booktheme.po b/_static/locales/lv/LC_MESSAGES/booktheme.po
index 993a1e412..ee1bd08df 100644
--- a/_static/locales/lv/LC_MESSAGES/booktheme.po
+++ b/_static/locales/lv/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: lv\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Drukāt PDF formātā"
+
 msgid "Theme by the"
 msgstr "Autora tēma"
 
-msgid "Open an issue"
-msgstr "Atveriet problēmu"
+msgid "Download source file"
+msgstr "Lejupielādēt avota failu"
+
+msgid "open issue"
+msgstr "atklāts jautājums"
 
 msgid "Contents"
 msgstr "Saturs"
 
+msgid "previous page"
+msgstr "iepriekšējā lapa"
+
 msgid "Download notebook file"
 msgstr "Lejupielādēt piezīmju grāmatiņu"
 
-msgid "Sphinx Book Theme"
-msgstr "Sfinksa grāmatas tēma"
-
-msgid "Fullscreen mode"
-msgstr "Pilnekrāna režīms"
-
-msgid "Edit this page"
-msgstr "Rediģēt šo lapu"
-
-msgid "By"
-msgstr "Autors"
-
 msgid "Copyright"
 msgstr "Autortiesības"
 
+msgid "Download this page"
+msgstr "Lejupielādējiet šo lapu"
+
 msgid "Source repository"
 msgstr "Avota krātuve"
 
-msgid "previous page"
-msgstr "iepriekšējā lapa"
+msgid "By"
+msgstr "Autors"
 
-msgid "next page"
-msgstr "nākamā lapaspuse"
+msgid "repository"
+msgstr "krātuve"
+
+msgid "Last updated on"
+msgstr "Pēdējoreiz atjaunināts"
 
 msgid "Toggle navigation"
 msgstr "Pārslēgt navigāciju"
 
-msgid "repository"
-msgstr "krātuve"
+msgid "Sphinx Book Theme"
+msgstr "Sfinksa grāmatas tēma"
 
 msgid "suggest edit"
 msgstr "ieteikt rediģēt"
 
-msgid "open issue"
-msgstr "atklāts jautājums"
+msgid "Open an issue"
+msgstr "Atveriet problēmu"
 
 msgid "Launch"
 msgstr "Uzsākt"
 
-msgid "Print to PDF"
-msgstr "Drukāt PDF formātā"
+msgid "Fullscreen mode"
+msgstr "Pilnekrāna režīms"
+
+msgid "Edit this page"
+msgstr "Rediģēt šo lapu"
 
 msgid "By the"
 msgstr "Ar"
 
-msgid "Last updated on"
-msgstr "Pēdējoreiz atjaunināts"
-
-msgid "Download source file"
-msgstr "Lejupielādēt avota failu"
-
-msgid "Download this page"
-msgstr "Lejupielādējiet šo lapu"
+msgid "next page"
+msgstr "nākamā lapaspuse"
diff --git a/_static/locales/ml/LC_MESSAGES/booktheme.po b/_static/locales/ml/LC_MESSAGES/booktheme.po
index 81daf7c8d..d471277d6 100644
--- a/_static/locales/ml/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ml/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: ml\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDF- ലേക്ക് പ്രിന്റുചെയ്യുക"
+
 msgid "Theme by the"
 msgstr "പ്രമേയം"
 
-msgid "Open an issue"
-msgstr "ഒരു പ്രശ്നം തുറക്കുക"
-
-msgid "Download notebook file"
-msgstr "നോട്ട്ബുക്ക് ഫയൽ ഡൺലോഡ് ചെയ്യുക"
+msgid "Download source file"
+msgstr "ഉറവിട ഫയൽ ഡൗൺലോഡുചെയ്യുക"
 
-msgid "Sphinx Book Theme"
-msgstr "സ്ഫിങ്ക്സ് പുസ്തക തീം"
+msgid "open issue"
+msgstr "തുറന്ന പ്രശ്നം"
 
-msgid "Edit this page"
-msgstr "ഈ പേജ് എഡിറ്റുചെയ്യുക"
+msgid "previous page"
+msgstr "മുൻപത്തെ താൾ"
 
-msgid "By"
-msgstr "എഴുതിയത്"
+msgid "Download notebook file"
+msgstr "നോട്ട്ബുക്ക് ഫയൽ ഡൺലോഡ് ചെയ്യുക"
 
 msgid "Copyright"
 msgstr "പകർപ്പവകാശം"
 
+msgid "Download this page"
+msgstr "ഈ പേജ് ഡൗൺലോഡുചെയ്യുക"
+
 msgid "Source repository"
 msgstr "ഉറവിട ശേഖരം"
 
-msgid "previous page"
-msgstr "മുൻപത്തെ താൾ"
+msgid "By"
+msgstr "എഴുതിയത്"
 
-msgid "next page"
-msgstr "അടുത്ത പേജ്"
+msgid "Last updated on"
+msgstr "അവസാനം അപ്‌ഡേറ്റുചെയ്‌തത്"
 
 msgid "Toggle navigation"
 msgstr "നാവിഗേഷൻ ടോഗിൾ ചെയ്യുക"
 
+msgid "Sphinx Book Theme"
+msgstr "സ്ഫിങ്ക്സ് പുസ്തക തീം"
+
 msgid "suggest edit"
 msgstr "എഡിറ്റുചെയ്യാൻ നിർദ്ദേശിക്കുക"
 
-msgid "open issue"
-msgstr "തുറന്ന പ്രശ്നം"
+msgid "Open an issue"
+msgstr "ഒരു പ്രശ്നം തുറക്കുക"
 
 msgid "Launch"
 msgstr "സമാരംഭിക്കുക"
 
-msgid "Print to PDF"
-msgstr "PDF- ലേക്ക് പ്രിന്റുചെയ്യുക"
+msgid "Edit this page"
+msgstr "ഈ പേജ് എഡിറ്റുചെയ്യുക"
 
 msgid "By the"
 msgstr "എഴുതിയത്"
 
-msgid "Last updated on"
-msgstr "അവസാനം അപ്‌ഡേറ്റുചെയ്‌തത്"
-
-msgid "Download source file"
-msgstr "ഉറവിട ഫയൽ ഡൗൺലോഡുചെയ്യുക"
-
-msgid "Download this page"
-msgstr "ഈ പേജ് ഡൗൺലോഡുചെയ്യുക"
+msgid "next page"
+msgstr "അടുത്ത പേജ്"
diff --git a/_static/locales/mr/LC_MESSAGES/booktheme.po b/_static/locales/mr/LC_MESSAGES/booktheme.po
index fd857bff9..f3694acfa 100644
--- a/_static/locales/mr/LC_MESSAGES/booktheme.po
+++ b/_static/locales/mr/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: mr\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "पीडीएफवर मुद्रित करा"
+
 msgid "Theme by the"
 msgstr "द्वारा थीम"
 
-msgid "Open an issue"
-msgstr "एक मुद्दा उघडा"
-
-msgid "Download notebook file"
-msgstr "नोटबुक फाईल डाउनलोड करा"
+msgid "Download source file"
+msgstr "स्त्रोत फाइल डाउनलोड करा"
 
-msgid "Sphinx Book Theme"
-msgstr "स्फिंक्स बुक थीम"
+msgid "open issue"
+msgstr "खुला मुद्दा"
 
-msgid "Edit this page"
-msgstr "हे पृष्ठ संपादित करा"
+msgid "previous page"
+msgstr "मागील पान"
 
-msgid "By"
-msgstr "द्वारा"
+msgid "Download notebook file"
+msgstr "नोटबुक फाईल डाउनलोड करा"
 
 msgid "Copyright"
 msgstr "कॉपीराइट"
 
+msgid "Download this page"
+msgstr "हे पृष्ठ डाउनलोड करा"
+
 msgid "Source repository"
 msgstr "स्त्रोत भांडार"
 
-msgid "previous page"
-msgstr "मागील पान"
+msgid "By"
+msgstr "द्वारा"
 
-msgid "next page"
-msgstr "पुढील पृष्ठ"
+msgid "Last updated on"
+msgstr "अखेरचे अद्यतनित"
 
 msgid "Toggle navigation"
 msgstr "नेव्हिगेशन टॉगल करा"
 
+msgid "Sphinx Book Theme"
+msgstr "स्फिंक्स बुक थीम"
+
 msgid "suggest edit"
 msgstr "संपादन सुचवा"
 
-msgid "open issue"
-msgstr "खुला मुद्दा"
+msgid "Open an issue"
+msgstr "एक मुद्दा उघडा"
 
 msgid "Launch"
 msgstr "लाँच करा"
 
-msgid "Print to PDF"
-msgstr "पीडीएफवर मुद्रित करा"
+msgid "Edit this page"
+msgstr "हे पृष्ठ संपादित करा"
 
 msgid "By the"
 msgstr "द्वारा"
 
-msgid "Last updated on"
-msgstr "अखेरचे अद्यतनित"
-
-msgid "Download source file"
-msgstr "स्त्रोत फाइल डाउनलोड करा"
-
-msgid "Download this page"
-msgstr "हे पृष्ठ डाउनलोड करा"
+msgid "next page"
+msgstr "पुढील पृष्ठ"
diff --git a/_static/locales/ms/LC_MESSAGES/booktheme.po b/_static/locales/ms/LC_MESSAGES/booktheme.po
index b616d70fe..65b7c6026 100644
--- a/_static/locales/ms/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ms/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: ms\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Cetak ke PDF"
+
 msgid "Theme by the"
 msgstr "Tema oleh"
 
-msgid "Open an issue"
-msgstr "Buka masalah"
-
-msgid "Download notebook file"
-msgstr "Muat turun fail buku nota"
+msgid "Download source file"
+msgstr "Muat turun fail sumber"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema Buku Sphinx"
+msgid "open issue"
+msgstr "isu terbuka"
 
-msgid "Edit this page"
-msgstr "Edit halaman ini"
+msgid "previous page"
+msgstr "halaman sebelumnya"
 
-msgid "By"
-msgstr "Oleh"
+msgid "Download notebook file"
+msgstr "Muat turun fail buku nota"
 
 msgid "Copyright"
 msgstr "hak cipta"
 
+msgid "Download this page"
+msgstr "Muat turun halaman ini"
+
 msgid "Source repository"
 msgstr "Repositori sumber"
 
-msgid "previous page"
-msgstr "halaman sebelumnya"
+msgid "By"
+msgstr "Oleh"
 
-msgid "next page"
-msgstr "muka surat seterusnya"
+msgid "Last updated on"
+msgstr "Terakhir dikemas kini pada"
 
 msgid "Toggle navigation"
 msgstr "Togol navigasi"
 
+msgid "Sphinx Book Theme"
+msgstr "Tema Buku Sphinx"
+
 msgid "suggest edit"
 msgstr "cadangkan edit"
 
-msgid "open issue"
-msgstr "isu terbuka"
+msgid "Open an issue"
+msgstr "Buka masalah"
 
 msgid "Launch"
 msgstr "Lancarkan"
 
-msgid "Print to PDF"
-msgstr "Cetak ke PDF"
+msgid "Edit this page"
+msgstr "Edit halaman ini"
 
 msgid "By the"
 msgstr "Oleh"
 
-msgid "Last updated on"
-msgstr "Terakhir dikemas kini pada"
-
-msgid "Download source file"
-msgstr "Muat turun fail sumber"
-
-msgid "Download this page"
-msgstr "Muat turun halaman ini"
+msgid "next page"
+msgstr "muka surat seterusnya"
diff --git a/_static/locales/nl/LC_MESSAGES/booktheme.po b/_static/locales/nl/LC_MESSAGES/booktheme.po
index f16f4bcc2..71bd1cda7 100644
--- a/_static/locales/nl/LC_MESSAGES/booktheme.po
+++ b/_static/locales/nl/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: nl\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Afdrukken naar pdf"
+
 msgid "Theme by the"
 msgstr "Thema door de"
 
-msgid "Open an issue"
-msgstr "Open een probleem"
+msgid "Download source file"
+msgstr "Download het bronbestand"
+
+msgid "open issue"
+msgstr "open probleem"
 
 msgid "Contents"
 msgstr "Inhoud"
 
+msgid "previous page"
+msgstr "vorige pagina"
+
 msgid "Download notebook file"
 msgstr "Download notebookbestand"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx-boekthema"
-
-msgid "Fullscreen mode"
-msgstr "Volledig scherm"
-
-msgid "Edit this page"
-msgstr "bewerk deze pagina"
-
-msgid "By"
-msgstr "Door"
-
 msgid "Copyright"
 msgstr "auteursrechten"
 
+msgid "Download this page"
+msgstr "Download deze pagina"
+
 msgid "Source repository"
 msgstr "Bronopslagplaats"
 
-msgid "previous page"
-msgstr "vorige pagina"
+msgid "By"
+msgstr "Door"
 
-msgid "next page"
-msgstr "volgende bladzijde"
+msgid "repository"
+msgstr "repository"
+
+msgid "Last updated on"
+msgstr "Laatst geupdate op"
 
 msgid "Toggle navigation"
 msgstr "Schakel navigatie"
 
-msgid "repository"
-msgstr "repository"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx-boekthema"
 
 msgid "suggest edit"
 msgstr "suggereren bewerken"
 
-msgid "open issue"
-msgstr "open probleem"
+msgid "Open an issue"
+msgstr "Open een probleem"
 
 msgid "Launch"
 msgstr "Lancering"
 
-msgid "Print to PDF"
-msgstr "Afdrukken naar pdf"
+msgid "Fullscreen mode"
+msgstr "Volledig scherm"
+
+msgid "Edit this page"
+msgstr "bewerk deze pagina"
 
 msgid "By the"
 msgstr "Door de"
 
-msgid "Last updated on"
-msgstr "Laatst geupdate op"
-
-msgid "Download source file"
-msgstr "Download het bronbestand"
-
-msgid "Download this page"
-msgstr "Download deze pagina"
+msgid "next page"
+msgstr "volgende bladzijde"
diff --git a/_static/locales/no/LC_MESSAGES/booktheme.po b/_static/locales/no/LC_MESSAGES/booktheme.po
index b1d304ee2..b21346a51 100644
--- a/_static/locales/no/LC_MESSAGES/booktheme.po
+++ b/_static/locales/no/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: no\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Skriv ut til PDF"
+
 msgid "Theme by the"
 msgstr "Tema av"
 
-msgid "Open an issue"
-msgstr "Åpne et problem"
+msgid "Download source file"
+msgstr "Last ned kildefilen"
+
+msgid "open issue"
+msgstr "åpent nummer"
 
 msgid "Contents"
 msgstr "Innhold"
 
+msgid "previous page"
+msgstr "forrige side"
+
 msgid "Download notebook file"
 msgstr "Last ned notatbokfilen"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx boktema"
-
-msgid "Fullscreen mode"
-msgstr "Fullskjerm-modus"
-
-msgid "Edit this page"
-msgstr "Rediger denne siden"
-
-msgid "By"
-msgstr "Av"
-
 msgid "Copyright"
 msgstr "opphavsrett"
 
+msgid "Download this page"
+msgstr "Last ned denne siden"
+
 msgid "Source repository"
 msgstr "Kildedepot"
 
-msgid "previous page"
-msgstr "forrige side"
+msgid "By"
+msgstr "Av"
 
-msgid "next page"
-msgstr "neste side"
+msgid "repository"
+msgstr "oppbevaringssted"
+
+msgid "Last updated on"
+msgstr "Sist oppdatert den"
 
 msgid "Toggle navigation"
 msgstr "Bytt navigasjon"
 
-msgid "repository"
-msgstr "oppbevaringssted"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx boktema"
 
 msgid "suggest edit"
 msgstr "foreslå redigering"
 
-msgid "open issue"
-msgstr "åpent nummer"
+msgid "Open an issue"
+msgstr "Åpne et problem"
 
 msgid "Launch"
 msgstr "Start"
 
-msgid "Print to PDF"
-msgstr "Skriv ut til PDF"
+msgid "Fullscreen mode"
+msgstr "Fullskjerm-modus"
+
+msgid "Edit this page"
+msgstr "Rediger denne siden"
 
 msgid "By the"
 msgstr "Ved"
 
-msgid "Last updated on"
-msgstr "Sist oppdatert den"
-
-msgid "Download source file"
-msgstr "Last ned kildefilen"
-
-msgid "Download this page"
-msgstr "Last ned denne siden"
+msgid "next page"
+msgstr "neste side"
diff --git a/_static/locales/pl/LC_MESSAGES/booktheme.po b/_static/locales/pl/LC_MESSAGES/booktheme.po
index 80d2c8965..1b7233f4f 100644
--- a/_static/locales/pl/LC_MESSAGES/booktheme.po
+++ b/_static/locales/pl/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: pl\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Drukuj do PDF"
+
 msgid "Theme by the"
 msgstr "Motyw autorstwa"
 
-msgid "Open an issue"
-msgstr "Otwórz problem"
+msgid "Download source file"
+msgstr "Pobierz plik źródłowy"
+
+msgid "open issue"
+msgstr "otwarty problem"
 
 msgid "Contents"
 msgstr "Zawartość"
 
+msgid "previous page"
+msgstr "Poprzednia strona"
+
 msgid "Download notebook file"
 msgstr "Pobierz plik notatnika"
 
-msgid "Sphinx Book Theme"
-msgstr "Motyw książki Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Pełny ekran"
-
-msgid "Edit this page"
-msgstr "Edytuj tę strone"
-
-msgid "By"
-msgstr "Przez"
-
 msgid "Copyright"
 msgstr "prawa autorskie"
 
+msgid "Download this page"
+msgstr "Pobierz tę stronę"
+
 msgid "Source repository"
 msgstr "Repozytorium źródłowe"
 
-msgid "previous page"
-msgstr "Poprzednia strona"
+msgid "By"
+msgstr "Przez"
 
-msgid "next page"
-msgstr "Następna strona"
+msgid "repository"
+msgstr "magazyn"
+
+msgid "Last updated on"
+msgstr "Ostatnia aktualizacja"
 
 msgid "Toggle navigation"
 msgstr "Przełącz nawigację"
 
-msgid "repository"
-msgstr "magazyn"
+msgid "Sphinx Book Theme"
+msgstr "Motyw książki Sphinx"
 
 msgid "suggest edit"
 msgstr "zaproponuj edycję"
 
-msgid "open issue"
-msgstr "otwarty problem"
+msgid "Open an issue"
+msgstr "Otwórz problem"
 
 msgid "Launch"
 msgstr "Uruchomić"
 
-msgid "Print to PDF"
-msgstr "Drukuj do PDF"
+msgid "Fullscreen mode"
+msgstr "Pełny ekran"
+
+msgid "Edit this page"
+msgstr "Edytuj tę strone"
 
 msgid "By the"
 msgstr "Przez"
 
-msgid "Last updated on"
-msgstr "Ostatnia aktualizacja"
-
-msgid "Download source file"
-msgstr "Pobierz plik źródłowy"
-
-msgid "Download this page"
-msgstr "Pobierz tę stronę"
+msgid "next page"
+msgstr "Następna strona"
diff --git a/_static/locales/pt/LC_MESSAGES/booktheme.po b/_static/locales/pt/LC_MESSAGES/booktheme.po
index 45ac847f5..1b27314d6 100644
--- a/_static/locales/pt/LC_MESSAGES/booktheme.po
+++ b/_static/locales/pt/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: pt\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Imprimir em PDF"
+
 msgid "Theme by the"
 msgstr "Tema por"
 
-msgid "Open an issue"
-msgstr "Abra um problema"
+msgid "Download source file"
+msgstr "Baixar arquivo fonte"
+
+msgid "open issue"
+msgstr "questão aberta"
 
 msgid "Contents"
 msgstr "Conteúdo"
 
+msgid "previous page"
+msgstr "página anterior"
+
 msgid "Download notebook file"
 msgstr "Baixar arquivo de notebook"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema do livro Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Modo tela cheia"
-
-msgid "Edit this page"
-msgstr "Edite essa página"
-
-msgid "By"
-msgstr "De"
-
 msgid "Copyright"
 msgstr "direito autoral"
 
+msgid "Download this page"
+msgstr "Baixe esta página"
+
 msgid "Source repository"
 msgstr "Repositório fonte"
 
-msgid "previous page"
-msgstr "página anterior"
+msgid "By"
+msgstr "De"
 
-msgid "next page"
-msgstr "próxima página"
+msgid "repository"
+msgstr "repositório"
+
+msgid "Last updated on"
+msgstr "Última atualização em"
 
 msgid "Toggle navigation"
 msgstr "Alternar de navegação"
 
-msgid "repository"
-msgstr "repositório"
+msgid "Sphinx Book Theme"
+msgstr "Tema do livro Sphinx"
 
 msgid "suggest edit"
 msgstr "sugerir edição"
 
-msgid "open issue"
-msgstr "questão aberta"
+msgid "Open an issue"
+msgstr "Abra um problema"
 
 msgid "Launch"
 msgstr "Lançamento"
 
-msgid "Print to PDF"
-msgstr "Imprimir em PDF"
+msgid "Fullscreen mode"
+msgstr "Modo tela cheia"
+
+msgid "Edit this page"
+msgstr "Edite essa página"
 
 msgid "By the"
 msgstr "Pelo"
 
-msgid "Last updated on"
-msgstr "Última atualização em"
-
-msgid "Download source file"
-msgstr "Baixar arquivo fonte"
-
-msgid "Download this page"
-msgstr "Baixe esta página"
+msgid "next page"
+msgstr "próxima página"
diff --git a/_static/locales/ro/LC_MESSAGES/booktheme.po b/_static/locales/ro/LC_MESSAGES/booktheme.po
index 532b3b849..1783ad2c4 100644
--- a/_static/locales/ro/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ro/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: ro\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Imprimați în PDF"
+
 msgid "Theme by the"
 msgstr "Tema de"
 
-msgid "Open an issue"
-msgstr "Deschideți o problemă"
+msgid "Download source file"
+msgstr "Descărcați fișierul sursă"
+
+msgid "open issue"
+msgstr "problema deschisă"
 
 msgid "Contents"
 msgstr "Cuprins"
 
+msgid "previous page"
+msgstr "pagina anterioară"
+
 msgid "Download notebook file"
 msgstr "Descărcați fișierul notebook"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema Sphinx Book"
-
-msgid "Fullscreen mode"
-msgstr "Modul ecran întreg"
-
-msgid "Edit this page"
-msgstr "Editați această pagină"
-
-msgid "By"
-msgstr "De"
-
 msgid "Copyright"
 msgstr "Drepturi de autor"
 
+msgid "Download this page"
+msgstr "Descarcă această pagină"
+
 msgid "Source repository"
 msgstr "Depozit sursă"
 
-msgid "previous page"
-msgstr "pagina anterioară"
+msgid "By"
+msgstr "De"
 
-msgid "next page"
-msgstr "pagina următoare"
+msgid "repository"
+msgstr "repertoriu"
+
+msgid "Last updated on"
+msgstr "Ultima actualizare la"
 
 msgid "Toggle navigation"
 msgstr "Comutare navigare"
 
-msgid "repository"
-msgstr "repertoriu"
+msgid "Sphinx Book Theme"
+msgstr "Tema Sphinx Book"
 
 msgid "suggest edit"
 msgstr "sugerează editare"
 
-msgid "open issue"
-msgstr "problema deschisă"
+msgid "Open an issue"
+msgstr "Deschideți o problemă"
 
 msgid "Launch"
 msgstr "Lansa"
 
-msgid "Print to PDF"
-msgstr "Imprimați în PDF"
+msgid "Fullscreen mode"
+msgstr "Modul ecran întreg"
+
+msgid "Edit this page"
+msgstr "Editați această pagină"
 
 msgid "By the"
 msgstr "Langa"
 
-msgid "Last updated on"
-msgstr "Ultima actualizare la"
-
-msgid "Download source file"
-msgstr "Descărcați fișierul sursă"
-
-msgid "Download this page"
-msgstr "Descarcă această pagină"
+msgid "next page"
+msgstr "pagina următoare"
diff --git a/_static/locales/ru/LC_MESSAGES/booktheme.po b/_static/locales/ru/LC_MESSAGES/booktheme.po
index b718b4827..b1176b7ae 100644
--- a/_static/locales/ru/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ru/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: ru\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Распечатать в PDF"
+
 msgid "Theme by the"
 msgstr "Тема от"
 
-msgid "Open an issue"
-msgstr "Открыть вопрос"
+msgid "Download source file"
+msgstr "Скачать исходный файл"
+
+msgid "open issue"
+msgstr "открытый вопрос"
 
 msgid "Contents"
 msgstr "Содержание"
 
+msgid "previous page"
+msgstr "Предыдущая страница"
+
 msgid "Download notebook file"
 msgstr "Скачать файл записной книжки"
 
-msgid "Sphinx Book Theme"
-msgstr "Тема книги Сфинкс"
-
-msgid "Fullscreen mode"
-msgstr "Полноэкранный режим"
-
-msgid "Edit this page"
-msgstr "Редактировать эту страницу"
-
-msgid "By"
-msgstr "По"
-
 msgid "Copyright"
 msgstr "авторское право"
 
+msgid "Download this page"
+msgstr "Загрузите эту страницу"
+
 msgid "Source repository"
 msgstr "Исходный репозиторий"
 
-msgid "previous page"
-msgstr "Предыдущая страница"
+msgid "By"
+msgstr "По"
 
-msgid "next page"
-msgstr "Следующая страница"
+msgid "repository"
+msgstr "хранилище"
+
+msgid "Last updated on"
+msgstr "Последнее обновление"
 
 msgid "Toggle navigation"
 msgstr "Переключить навигацию"
 
-msgid "repository"
-msgstr "хранилище"
+msgid "Sphinx Book Theme"
+msgstr "Тема книги Сфинкс"
 
 msgid "suggest edit"
 msgstr "предложить редактировать"
 
-msgid "open issue"
-msgstr "открытый вопрос"
+msgid "Open an issue"
+msgstr "Открыть вопрос"
 
 msgid "Launch"
 msgstr "Запуск"
 
-msgid "Print to PDF"
-msgstr "Распечатать в PDF"
+msgid "Fullscreen mode"
+msgstr "Полноэкранный режим"
+
+msgid "Edit this page"
+msgstr "Редактировать эту страницу"
 
 msgid "By the"
 msgstr "Посредством"
 
-msgid "Last updated on"
-msgstr "Последнее обновление"
-
-msgid "Download source file"
-msgstr "Скачать исходный файл"
-
-msgid "Download this page"
-msgstr "Загрузите эту страницу"
+msgid "next page"
+msgstr "Следующая страница"
diff --git a/_static/locales/sk/LC_MESSAGES/booktheme.po b/_static/locales/sk/LC_MESSAGES/booktheme.po
index f6c423b63..650128817 100644
--- a/_static/locales/sk/LC_MESSAGES/booktheme.po
+++ b/_static/locales/sk/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: sk\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Tlač do PDF"
+
 msgid "Theme by the"
 msgstr "Téma od"
 
-msgid "Open an issue"
-msgstr "Otvorte problém"
+msgid "Download source file"
+msgstr "Stiahnite si zdrojový súbor"
+
+msgid "open issue"
+msgstr "otvorené vydanie"
 
 msgid "Contents"
 msgstr "Obsah"
 
+msgid "previous page"
+msgstr "predchádzajúca strana"
+
 msgid "Download notebook file"
 msgstr "Stiahnite si zošit"
 
-msgid "Sphinx Book Theme"
-msgstr "Téma knihy Sfinga"
-
-msgid "Fullscreen mode"
-msgstr "Režim celej obrazovky"
-
-msgid "Edit this page"
-msgstr "Upraviť túto stránku"
-
-msgid "By"
-msgstr "Autor:"
-
 msgid "Copyright"
 msgstr "Autorské práva"
 
+msgid "Download this page"
+msgstr "Stiahnite si túto stránku"
+
 msgid "Source repository"
 msgstr "Zdrojové úložisko"
 
-msgid "previous page"
-msgstr "predchádzajúca strana"
+msgid "By"
+msgstr "Autor:"
 
-msgid "next page"
-msgstr "ďalšia strana"
+msgid "repository"
+msgstr "Úložisko"
+
+msgid "Last updated on"
+msgstr "Posledná aktualizácia dňa"
 
 msgid "Toggle navigation"
 msgstr "Prepnúť navigáciu"
 
-msgid "repository"
-msgstr "Úložisko"
+msgid "Sphinx Book Theme"
+msgstr "Téma knihy Sfinga"
 
 msgid "suggest edit"
 msgstr "navrhnúť úpravu"
 
-msgid "open issue"
-msgstr "otvorené vydanie"
+msgid "Open an issue"
+msgstr "Otvorte problém"
 
 msgid "Launch"
 msgstr "Spustiť"
 
-msgid "Print to PDF"
-msgstr "Tlač do PDF"
+msgid "Fullscreen mode"
+msgstr "Režim celej obrazovky"
+
+msgid "Edit this page"
+msgstr "Upraviť túto stránku"
 
 msgid "By the"
 msgstr "Podľa"
 
-msgid "Last updated on"
-msgstr "Posledná aktualizácia dňa"
-
-msgid "Download source file"
-msgstr "Stiahnite si zdrojový súbor"
-
-msgid "Download this page"
-msgstr "Stiahnite si túto stránku"
+msgid "next page"
+msgstr "ďalšia strana"
diff --git a/_static/locales/sl/LC_MESSAGES/booktheme.po b/_static/locales/sl/LC_MESSAGES/booktheme.po
index 9822dc58d..3c7e3a866 100644
--- a/_static/locales/sl/LC_MESSAGES/booktheme.po
+++ b/_static/locales/sl/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: sl\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Natisni v PDF"
+
 msgid "Theme by the"
 msgstr "Tema avtorja"
 
-msgid "Open an issue"
-msgstr "Odprite številko"
+msgid "Download source file"
+msgstr "Prenesite izvorno datoteko"
+
+msgid "open issue"
+msgstr "odprto vprašanje"
 
 msgid "Contents"
 msgstr "Vsebina"
 
+msgid "previous page"
+msgstr "Prejšnja stran"
+
 msgid "Download notebook file"
 msgstr "Prenesite datoteko zvezka"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema knjige Sphinx"
-
-msgid "Fullscreen mode"
-msgstr "Celozaslonski način"
-
-msgid "Edit this page"
-msgstr "Uredite to stran"
-
-msgid "By"
-msgstr "Avtor"
-
 msgid "Copyright"
 msgstr "avtorske pravice"
 
+msgid "Download this page"
+msgstr "Prenesite to stran"
+
 msgid "Source repository"
 msgstr "Izvorno skladišče"
 
-msgid "previous page"
-msgstr "Prejšnja stran"
+msgid "By"
+msgstr "Avtor"
 
-msgid "next page"
-msgstr "Naslednja stran"
+msgid "repository"
+msgstr "odlagališče"
+
+msgid "Last updated on"
+msgstr "Nazadnje posodobljeno dne"
 
 msgid "Toggle navigation"
 msgstr "Preklopi navigacijo"
 
-msgid "repository"
-msgstr "odlagališče"
+msgid "Sphinx Book Theme"
+msgstr "Tema knjige Sphinx"
 
 msgid "suggest edit"
 msgstr "predlagajte urejanje"
 
-msgid "open issue"
-msgstr "odprto vprašanje"
+msgid "Open an issue"
+msgstr "Odprite številko"
 
 msgid "Launch"
 msgstr "Kosilo"
 
-msgid "Print to PDF"
-msgstr "Natisni v PDF"
+msgid "Fullscreen mode"
+msgstr "Celozaslonski način"
+
+msgid "Edit this page"
+msgstr "Uredite to stran"
 
 msgid "By the"
 msgstr "Avtor"
 
-msgid "Last updated on"
-msgstr "Nazadnje posodobljeno dne"
-
-msgid "Download source file"
-msgstr "Prenesite izvorno datoteko"
-
-msgid "Download this page"
-msgstr "Prenesite to stran"
+msgid "next page"
+msgstr "Naslednja stran"
diff --git a/_static/locales/sr/LC_MESSAGES/booktheme.po b/_static/locales/sr/LC_MESSAGES/booktheme.po
index e809230c5..773b8adae 100644
--- a/_static/locales/sr/LC_MESSAGES/booktheme.po
+++ b/_static/locales/sr/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: sr\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Испис у ПДФ"
+
 msgid "Theme by the"
 msgstr "Тхеме би"
 
-msgid "Open an issue"
-msgstr "Отворите издање"
+msgid "Download source file"
+msgstr "Преузми изворну датотеку"
+
+msgid "open issue"
+msgstr "отворено издање"
 
 msgid "Contents"
 msgstr "Садржај"
 
+msgid "previous page"
+msgstr "Претходна страница"
+
 msgid "Download notebook file"
 msgstr "Преузмите датотеку бележнице"
 
-msgid "Sphinx Book Theme"
-msgstr "Тема књиге Спхинк"
-
-msgid "Fullscreen mode"
-msgstr "Режим целог екрана"
-
-msgid "Edit this page"
-msgstr "Уредите ову страницу"
-
-msgid "By"
-msgstr "Од стране"
-
 msgid "Copyright"
 msgstr "Ауторско право"
 
+msgid "Download this page"
+msgstr "Преузмите ову страницу"
+
 msgid "Source repository"
 msgstr "Изворно спремиште"
 
-msgid "previous page"
-msgstr "Претходна страница"
+msgid "By"
+msgstr "Од стране"
 
-msgid "next page"
-msgstr "Следећа страна"
+msgid "repository"
+msgstr "спремиште"
+
+msgid "Last updated on"
+msgstr "Последње ажурирање"
 
 msgid "Toggle navigation"
 msgstr "Укључи / искључи навигацију"
 
-msgid "repository"
-msgstr "спремиште"
+msgid "Sphinx Book Theme"
+msgstr "Тема књиге Спхинк"
 
 msgid "suggest edit"
 msgstr "предложи уређивање"
 
-msgid "open issue"
-msgstr "отворено издање"
+msgid "Open an issue"
+msgstr "Отворите издање"
 
 msgid "Launch"
 msgstr "Лансирање"
 
-msgid "Print to PDF"
-msgstr "Испис у ПДФ"
+msgid "Fullscreen mode"
+msgstr "Режим целог екрана"
+
+msgid "Edit this page"
+msgstr "Уредите ову страницу"
 
 msgid "By the"
 msgstr "Од"
 
-msgid "Last updated on"
-msgstr "Последње ажурирање"
-
-msgid "Download source file"
-msgstr "Преузми изворну датотеку"
-
-msgid "Download this page"
-msgstr "Преузмите ову страницу"
+msgid "next page"
+msgstr "Следећа страна"
diff --git a/_static/locales/sv/LC_MESSAGES/booktheme.po b/_static/locales/sv/LC_MESSAGES/booktheme.po
index 2421b001d..bcac54c07 100644
--- a/_static/locales/sv/LC_MESSAGES/booktheme.po
+++ b/_static/locales/sv/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: sv\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Skriv ut till PDF"
+
 msgid "Theme by the"
 msgstr "Tema av"
 
-msgid "Open an issue"
-msgstr "Öppna en problemrapport"
+msgid "Download source file"
+msgstr "Ladda ner källfil"
+
+msgid "open issue"
+msgstr "öppna problemrapport"
 
 msgid "Contents"
 msgstr "Innehåll"
 
+msgid "previous page"
+msgstr "föregående sida"
+
 msgid "Download notebook file"
 msgstr "Ladda ner notebook-fil"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx Boktema"
-
-msgid "Fullscreen mode"
-msgstr "Fullskärmsläge"
-
-msgid "Edit this page"
-msgstr "Redigera den här sidan"
-
-msgid "By"
-msgstr "Av"
-
 msgid "Copyright"
 msgstr "Upphovsrätt"
 
+msgid "Download this page"
+msgstr "Ladda ner den här sidan"
+
 msgid "Source repository"
 msgstr "Källkodsrepositorium"
 
-msgid "previous page"
-msgstr "föregående sida"
+msgid "By"
+msgstr "Av"
 
-msgid "next page"
-msgstr "nästa sida"
+msgid "repository"
+msgstr "repositorium"
+
+msgid "Last updated on"
+msgstr "Senast uppdaterad den"
 
 msgid "Toggle navigation"
 msgstr "Växla navigering"
 
-msgid "repository"
-msgstr "repositorium"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx Boktema"
 
 msgid "suggest edit"
 msgstr "föreslå ändring"
 
-msgid "open issue"
-msgstr "öppna problemrapport"
+msgid "Open an issue"
+msgstr "Öppna en problemrapport"
 
 msgid "Launch"
 msgstr "Öppna"
 
-msgid "Print to PDF"
-msgstr "Skriv ut till PDF"
+msgid "Fullscreen mode"
+msgstr "Fullskärmsläge"
+
+msgid "Edit this page"
+msgstr "Redigera den här sidan"
 
 msgid "By the"
 msgstr "Av den"
 
-msgid "Last updated on"
-msgstr "Senast uppdaterad den"
-
-msgid "Download source file"
-msgstr "Ladda ner källfil"
-
-msgid "Download this page"
-msgstr "Ladda ner den här sidan"
+msgid "next page"
+msgstr "nästa sida"
diff --git a/_static/locales/ta/LC_MESSAGES/booktheme.po b/_static/locales/ta/LC_MESSAGES/booktheme.po
index 500042f40..b48bdfaf1 100644
--- a/_static/locales/ta/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ta/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: ta\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDF இல் அச்சிடுக"
+
 msgid "Theme by the"
 msgstr "வழங்கிய தீம்"
 
-msgid "Open an issue"
-msgstr "சிக்கலைத் திறக்கவும்"
-
-msgid "Download notebook file"
-msgstr "நோட்புக் கோப்பைப் பதிவிறக்கவும்"
+msgid "Download source file"
+msgstr "மூல கோப்பைப் பதிவிறக்குக"
 
-msgid "Sphinx Book Theme"
-msgstr "ஸ்பிங்க்ஸ் புத்தக தீம்"
+msgid "open issue"
+msgstr "திறந்த பிரச்சினை"
 
-msgid "Edit this page"
-msgstr "இந்தப் பக்கத்தைத் திருத்தவும்"
+msgid "previous page"
+msgstr "முந்தைய பக்கம்"
 
-msgid "By"
-msgstr "வழங்கியவர்"
+msgid "Download notebook file"
+msgstr "நோட்புக் கோப்பைப் பதிவிறக்கவும்"
 
 msgid "Copyright"
 msgstr "பதிப்புரிமை"
 
+msgid "Download this page"
+msgstr "இந்தப் பக்கத்தைப் பதிவிறக்கவும்"
+
 msgid "Source repository"
 msgstr "மூல களஞ்சியம்"
 
-msgid "previous page"
-msgstr "முந்தைய பக்கம்"
+msgid "By"
+msgstr "வழங்கியவர்"
 
-msgid "next page"
-msgstr "அடுத்த பக்கம்"
+msgid "Last updated on"
+msgstr "கடைசியாக புதுப்பிக்கப்பட்டது"
 
 msgid "Toggle navigation"
 msgstr "வழிசெலுத்தலை நிலைமாற்று"
 
+msgid "Sphinx Book Theme"
+msgstr "ஸ்பிங்க்ஸ் புத்தக தீம்"
+
 msgid "suggest edit"
 msgstr "திருத்த பரிந்துரைக்கவும்"
 
-msgid "open issue"
-msgstr "திறந்த பிரச்சினை"
+msgid "Open an issue"
+msgstr "சிக்கலைத் திறக்கவும்"
 
 msgid "Launch"
 msgstr "தொடங்க"
 
-msgid "Print to PDF"
-msgstr "PDF இல் அச்சிடுக"
+msgid "Edit this page"
+msgstr "இந்தப் பக்கத்தைத் திருத்தவும்"
 
 msgid "By the"
 msgstr "மூலம்"
 
-msgid "Last updated on"
-msgstr "கடைசியாக புதுப்பிக்கப்பட்டது"
-
-msgid "Download source file"
-msgstr "மூல கோப்பைப் பதிவிறக்குக"
-
-msgid "Download this page"
-msgstr "இந்தப் பக்கத்தைப் பதிவிறக்கவும்"
+msgid "next page"
+msgstr "அடுத்த பக்கம்"
diff --git a/_static/locales/te/LC_MESSAGES/booktheme.po b/_static/locales/te/LC_MESSAGES/booktheme.po
index b1afebba8..952278f5f 100644
--- a/_static/locales/te/LC_MESSAGES/booktheme.po
+++ b/_static/locales/te/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: te\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDF కి ముద్రించండి"
+
 msgid "Theme by the"
 msgstr "ద్వారా థీమ్"
 
-msgid "Open an issue"
-msgstr "సమస్యను తెరవండి"
-
-msgid "Download notebook file"
-msgstr "నోట్బుక్ ఫైల్ను డౌన్లోడ్ చేయండి"
+msgid "Download source file"
+msgstr "మూల ఫైల్‌ను డౌన్‌లోడ్ చేయండి"
 
-msgid "Sphinx Book Theme"
-msgstr "సింహిక పుస్తక థీమ్"
+msgid "open issue"
+msgstr "ఓపెన్ ఇష్యూ"
 
-msgid "Edit this page"
-msgstr "ఈ పేజీని సవరించండి"
+msgid "previous page"
+msgstr "ముందు పేజి"
 
-msgid "By"
-msgstr "ద్వారా"
+msgid "Download notebook file"
+msgstr "నోట్బుక్ ఫైల్ను డౌన్లోడ్ చేయండి"
 
 msgid "Copyright"
 msgstr "కాపీరైట్"
 
+msgid "Download this page"
+msgstr "ఈ పేజీని డౌన్‌లోడ్ చేయండి"
+
 msgid "Source repository"
 msgstr "మూల రిపోజిటరీ"
 
-msgid "previous page"
-msgstr "ముందు పేజి"
+msgid "By"
+msgstr "ద్వారా"
 
-msgid "next page"
-msgstr "తరువాతి పేజీ"
+msgid "Last updated on"
+msgstr "చివరిగా నవీకరించబడింది"
 
 msgid "Toggle navigation"
 msgstr "నావిగేషన్‌ను టోగుల్ చేయండి"
 
+msgid "Sphinx Book Theme"
+msgstr "సింహిక పుస్తక థీమ్"
+
 msgid "suggest edit"
 msgstr "సవరించమని సూచించండి"
 
-msgid "open issue"
-msgstr "ఓపెన్ ఇష్యూ"
+msgid "Open an issue"
+msgstr "సమస్యను తెరవండి"
 
 msgid "Launch"
 msgstr "ప్రారంభించండి"
 
-msgid "Print to PDF"
-msgstr "PDF కి ముద్రించండి"
+msgid "Edit this page"
+msgstr "ఈ పేజీని సవరించండి"
 
 msgid "By the"
 msgstr "ద్వారా"
 
-msgid "Last updated on"
-msgstr "చివరిగా నవీకరించబడింది"
-
-msgid "Download source file"
-msgstr "మూల ఫైల్‌ను డౌన్‌లోడ్ చేయండి"
-
-msgid "Download this page"
-msgstr "ఈ పేజీని డౌన్‌లోడ్ చేయండి"
+msgid "next page"
+msgstr "తరువాతి పేజీ"
diff --git a/_static/locales/tg/LC_MESSAGES/booktheme.po b/_static/locales/tg/LC_MESSAGES/booktheme.po
index 29b8237b1..c33dc4217 100644
--- a/_static/locales/tg/LC_MESSAGES/booktheme.po
+++ b/_static/locales/tg/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: tg\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Чоп ба PDF"
+
 msgid "Theme by the"
 msgstr "Мавзӯъи аз"
 
-msgid "Open an issue"
-msgstr "Масъаларо кушоед"
+msgid "Download source file"
+msgstr "Файли манбаъро зеркашӣ кунед"
+
+msgid "open issue"
+msgstr "барориши кушод"
 
 msgid "Contents"
 msgstr "Мундариҷа"
 
+msgid "previous page"
+msgstr "саҳифаи қаблӣ"
+
 msgid "Download notebook file"
 msgstr "Файли дафтарро зеркашӣ кунед"
 
-msgid "Sphinx Book Theme"
-msgstr "Сфинкс Мавзӯи китоб"
-
-msgid "Fullscreen mode"
-msgstr "Ҳолати экрани пурра"
-
-msgid "Edit this page"
-msgstr "Ин саҳифаро таҳрир кунед"
-
-msgid "By"
-msgstr "Бо"
-
 msgid "Copyright"
 msgstr "Ҳуқуқи муаллиф"
 
+msgid "Download this page"
+msgstr "Ин саҳифаро зеркашӣ кунед"
+
 msgid "Source repository"
 msgstr "Анбори манбаъ"
 
-msgid "previous page"
-msgstr "саҳифаи қаблӣ"
+msgid "By"
+msgstr "Бо"
 
-msgid "next page"
-msgstr "саҳифаи оянда"
+msgid "repository"
+msgstr "анбор"
+
+msgid "Last updated on"
+msgstr "Last навсозӣ дар"
 
 msgid "Toggle navigation"
 msgstr "Гузаришро иваз кунед"
 
-msgid "repository"
-msgstr "анбор"
+msgid "Sphinx Book Theme"
+msgstr "Сфинкс Мавзӯи китоб"
 
 msgid "suggest edit"
 msgstr "пешниҳод вироиш"
 
-msgid "open issue"
-msgstr "барориши кушод"
+msgid "Open an issue"
+msgstr "Масъаларо кушоед"
 
 msgid "Launch"
 msgstr "Оғоз"
 
-msgid "Print to PDF"
-msgstr "Чоп ба PDF"
+msgid "Fullscreen mode"
+msgstr "Ҳолати экрани пурра"
+
+msgid "Edit this page"
+msgstr "Ин саҳифаро таҳрир кунед"
 
 msgid "By the"
 msgstr "Бо"
 
-msgid "Last updated on"
-msgstr "Last навсозӣ дар"
-
-msgid "Download source file"
-msgstr "Файли манбаъро зеркашӣ кунед"
-
-msgid "Download this page"
-msgstr "Ин саҳифаро зеркашӣ кунед"
+msgid "next page"
+msgstr "саҳифаи оянда"
diff --git a/_static/locales/th/LC_MESSAGES/booktheme.po b/_static/locales/th/LC_MESSAGES/booktheme.po
index ac65ee05c..9d24294a7 100644
--- a/_static/locales/th/LC_MESSAGES/booktheme.po
+++ b/_static/locales/th/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: th\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "พิมพ์เป็น PDF"
+
 msgid "Theme by the"
 msgstr "ธีมโดย"
 
-msgid "Open an issue"
+msgid "Download source file"
+msgstr "ดาวน์โหลดไฟล์ต้นฉบับ"
+
+msgid "open issue"
 msgstr "เปิดปัญหา"
 
 msgid "Contents"
 msgstr "สารบัญ"
 
+msgid "previous page"
+msgstr "หน้าที่แล้ว"
+
 msgid "Download notebook file"
 msgstr "ดาวน์โหลดไฟล์สมุดบันทึก"
 
-msgid "Sphinx Book Theme"
-msgstr "ธีมหนังสือสฟิงซ์"
-
-msgid "Fullscreen mode"
-msgstr "โหมดเต็มหน้าจอ"
-
-msgid "Edit this page"
-msgstr "แก้ไขหน้านี้"
-
-msgid "By"
-msgstr "โดย"
-
 msgid "Copyright"
 msgstr "ลิขสิทธิ์"
 
+msgid "Download this page"
+msgstr "ดาวน์โหลดหน้านี้"
+
 msgid "Source repository"
 msgstr "ที่เก็บซอร์ส"
 
-msgid "previous page"
-msgstr "หน้าที่แล้ว"
+msgid "By"
+msgstr "โดย"
 
-msgid "next page"
-msgstr "หน้าต่อไป"
+msgid "repository"
+msgstr "ที่เก็บ"
+
+msgid "Last updated on"
+msgstr "ปรับปรุงล่าสุดเมื่อ"
 
 msgid "Toggle navigation"
 msgstr "ไม่ต้องสลับช่องทาง"
 
-msgid "repository"
-msgstr "ที่เก็บ"
+msgid "Sphinx Book Theme"
+msgstr "ธีมหนังสือสฟิงซ์"
 
 msgid "suggest edit"
 msgstr "แนะนำแก้ไข"
 
-msgid "open issue"
+msgid "Open an issue"
 msgstr "เปิดปัญหา"
 
 msgid "Launch"
 msgstr "เปิด"
 
-msgid "Print to PDF"
-msgstr "พิมพ์เป็น PDF"
+msgid "Fullscreen mode"
+msgstr "โหมดเต็มหน้าจอ"
+
+msgid "Edit this page"
+msgstr "แก้ไขหน้านี้"
 
 msgid "By the"
 msgstr "โดย"
 
-msgid "Last updated on"
-msgstr "ปรับปรุงล่าสุดเมื่อ"
-
-msgid "Download source file"
-msgstr "ดาวน์โหลดไฟล์ต้นฉบับ"
-
-msgid "Download this page"
-msgstr "ดาวน์โหลดหน้านี้"
+msgid "next page"
+msgstr "หน้าต่อไป"
diff --git a/_static/locales/tl/LC_MESSAGES/booktheme.po b/_static/locales/tl/LC_MESSAGES/booktheme.po
index 662d66ca8..20e0d07ce 100644
--- a/_static/locales/tl/LC_MESSAGES/booktheme.po
+++ b/_static/locales/tl/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: tl\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "I-print sa PDF"
+
 msgid "Theme by the"
 msgstr "Tema ng"
 
-msgid "Open an issue"
-msgstr "Magbukas ng isyu"
-
-msgid "Download notebook file"
-msgstr "Mag-download ng file ng notebook"
+msgid "Download source file"
+msgstr "Mag-download ng file ng pinagmulan"
 
-msgid "Sphinx Book Theme"
-msgstr "Tema ng Sphinx Book"
+msgid "open issue"
+msgstr "bukas na isyu"
 
-msgid "Edit this page"
-msgstr "I-edit ang pahinang ito"
+msgid "previous page"
+msgstr "Nakaraang pahina"
 
-msgid "By"
-msgstr "Ni"
+msgid "Download notebook file"
+msgstr "Mag-download ng file ng notebook"
 
 msgid "Copyright"
 msgstr "Copyright"
 
+msgid "Download this page"
+msgstr "I-download ang pahinang ito"
+
 msgid "Source repository"
 msgstr "Pinagmulan ng imbakan"
 
-msgid "previous page"
-msgstr "Nakaraang pahina"
+msgid "By"
+msgstr "Ni"
 
-msgid "next page"
-msgstr "Susunod na pahina"
+msgid "Last updated on"
+msgstr "Huling na-update noong"
 
 msgid "Toggle navigation"
 msgstr "I-toggle ang pag-navigate"
 
+msgid "Sphinx Book Theme"
+msgstr "Tema ng Sphinx Book"
+
 msgid "suggest edit"
 msgstr "iminumungkahi i-edit"
 
-msgid "open issue"
-msgstr "bukas na isyu"
+msgid "Open an issue"
+msgstr "Magbukas ng isyu"
 
 msgid "Launch"
 msgstr "Ilunsad"
 
-msgid "Print to PDF"
-msgstr "I-print sa PDF"
+msgid "Edit this page"
+msgstr "I-edit ang pahinang ito"
 
 msgid "By the"
 msgstr "Sa pamamagitan ng"
 
-msgid "Last updated on"
-msgstr "Huling na-update noong"
-
-msgid "Download source file"
-msgstr "Mag-download ng file ng pinagmulan"
-
-msgid "Download this page"
-msgstr "I-download ang pahinang ito"
+msgid "next page"
+msgstr "Susunod na pahina"
diff --git a/_static/locales/tr/LC_MESSAGES/booktheme.po b/_static/locales/tr/LC_MESSAGES/booktheme.po
index d1ae72334..a77eb0273 100644
--- a/_static/locales/tr/LC_MESSAGES/booktheme.po
+++ b/_static/locales/tr/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: tr\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "PDF olarak yazdır"
+
 msgid "Theme by the"
 msgstr "Tarafından tema"
 
-msgid "Open an issue"
-msgstr "Bir sorunu açın"
+msgid "Download source file"
+msgstr "Kaynak dosyayı indirin"
+
+msgid "open issue"
+msgstr "Açık konu"
 
 msgid "Contents"
 msgstr "İçindekiler"
 
+msgid "previous page"
+msgstr "önceki sayfa"
+
 msgid "Download notebook file"
 msgstr "Defter dosyasını indirin"
 
-msgid "Sphinx Book Theme"
-msgstr "Sfenks Kitap Teması"
-
-msgid "Fullscreen mode"
-msgstr "Tam ekran modu"
-
-msgid "Edit this page"
-msgstr "Bu sayfayı düzenle"
-
-msgid "By"
-msgstr "Tarafından"
-
 msgid "Copyright"
 msgstr "Telif hakkı"
 
+msgid "Download this page"
+msgstr "Bu sayfayı indirin"
+
 msgid "Source repository"
 msgstr "Kaynak kod deposu"
 
-msgid "previous page"
-msgstr "önceki sayfa"
+msgid "By"
+msgstr "Tarafından"
 
-msgid "next page"
-msgstr "sonraki Sayfa"
+msgid "repository"
+msgstr "depo"
+
+msgid "Last updated on"
+msgstr "Son güncelleme tarihi"
 
 msgid "Toggle navigation"
 msgstr "Gezinmeyi değiştir"
 
-msgid "repository"
-msgstr "depo"
+msgid "Sphinx Book Theme"
+msgstr "Sfenks Kitap Teması"
 
 msgid "suggest edit"
 msgstr "düzenleme öner"
 
-msgid "open issue"
-msgstr "Açık konu"
+msgid "Open an issue"
+msgstr "Bir sorunu açın"
 
 msgid "Launch"
 msgstr "Başlatmak"
 
-msgid "Print to PDF"
-msgstr "PDF olarak yazdır"
+msgid "Fullscreen mode"
+msgstr "Tam ekran modu"
+
+msgid "Edit this page"
+msgstr "Bu sayfayı düzenle"
 
 msgid "By the"
 msgstr "Tarafından"
 
-msgid "Last updated on"
-msgstr "Son güncelleme tarihi"
-
-msgid "Download source file"
-msgstr "Kaynak dosyayı indirin"
-
-msgid "Download this page"
-msgstr "Bu sayfayı indirin"
+msgid "next page"
+msgstr "sonraki Sayfa"
diff --git a/_static/locales/uk/LC_MESSAGES/booktheme.po b/_static/locales/uk/LC_MESSAGES/booktheme.po
index be49ab85e..993dd0781 100644
--- a/_static/locales/uk/LC_MESSAGES/booktheme.po
+++ b/_static/locales/uk/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: uk\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "Друк у форматі PDF"
+
 msgid "Theme by the"
 msgstr "Тема від"
 
-msgid "Open an issue"
-msgstr "Відкрийте випуск"
+msgid "Download source file"
+msgstr "Завантажити вихідний файл"
+
+msgid "open issue"
+msgstr "відкритий випуск"
 
 msgid "Contents"
 msgstr "Зміст"
 
+msgid "previous page"
+msgstr "Попередня сторінка"
+
 msgid "Download notebook file"
 msgstr "Завантажте файл блокнота"
 
-msgid "Sphinx Book Theme"
-msgstr "Тема книги \"Сфінкс\""
-
-msgid "Fullscreen mode"
-msgstr "Повноекранний режим"
-
-msgid "Edit this page"
-msgstr "Редагувати цю сторінку"
-
-msgid "By"
-msgstr "Автор"
-
 msgid "Copyright"
 msgstr "Авторське право"
 
+msgid "Download this page"
+msgstr "Завантажте цю сторінку"
+
 msgid "Source repository"
 msgstr "Джерело сховища"
 
-msgid "previous page"
-msgstr "Попередня сторінка"
+msgid "By"
+msgstr "Автор"
 
-msgid "next page"
-msgstr "Наступна сторінка"
+msgid "repository"
+msgstr "сховище"
+
+msgid "Last updated on"
+msgstr "Останнє оновлення:"
 
 msgid "Toggle navigation"
 msgstr "Переключити навігацію"
 
-msgid "repository"
-msgstr "сховище"
+msgid "Sphinx Book Theme"
+msgstr "Тема книги \"Сфінкс\""
 
 msgid "suggest edit"
 msgstr "запропонувати редагувати"
 
-msgid "open issue"
-msgstr "відкритий випуск"
+msgid "Open an issue"
+msgstr "Відкрийте випуск"
 
 msgid "Launch"
 msgstr "Запуск"
 
-msgid "Print to PDF"
-msgstr "Друк у форматі PDF"
+msgid "Fullscreen mode"
+msgstr "Повноекранний режим"
+
+msgid "Edit this page"
+msgstr "Редагувати цю сторінку"
 
 msgid "By the"
 msgstr "По"
 
-msgid "Last updated on"
-msgstr "Останнє оновлення:"
-
-msgid "Download source file"
-msgstr "Завантажити вихідний файл"
-
-msgid "Download this page"
-msgstr "Завантажте цю сторінку"
+msgid "next page"
+msgstr "Наступна сторінка"
diff --git a/_static/locales/ur/LC_MESSAGES/booktheme.po b/_static/locales/ur/LC_MESSAGES/booktheme.po
index 94bcab339..2f774267f 100644
--- a/_static/locales/ur/LC_MESSAGES/booktheme.po
+++ b/_static/locales/ur/LC_MESSAGES/booktheme.po
@@ -8,59 +8,59 @@ msgstr ""
 "Language: ur\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "پی ڈی ایف پرنٹ کریں"
+
 msgid "Theme by the"
 msgstr "کے ذریعہ تھیم"
 
-msgid "Open an issue"
-msgstr "ایک مسئلہ کھولیں"
-
-msgid "Download notebook file"
-msgstr "نوٹ بک فائل ڈاؤن لوڈ کریں"
+msgid "Download source file"
+msgstr "سورس فائل ڈاؤن لوڈ کریں"
 
-msgid "Sphinx Book Theme"
-msgstr "سپنکس بک تھیم"
+msgid "open issue"
+msgstr "کھلا مسئلہ"
 
-msgid "Edit this page"
-msgstr "اس صفحے میں ترمیم کریں"
+msgid "previous page"
+msgstr "سابقہ ​​صفحہ"
 
-msgid "By"
-msgstr "بذریعہ"
+msgid "Download notebook file"
+msgstr "نوٹ بک فائل ڈاؤن لوڈ کریں"
 
 msgid "Copyright"
 msgstr "کاپی رائٹ"
 
+msgid "Download this page"
+msgstr "اس صفحے کو ڈاؤن لوڈ کریں"
+
 msgid "Source repository"
 msgstr "ماخذ ذخیرہ"
 
-msgid "previous page"
-msgstr "سابقہ ​​صفحہ"
+msgid "By"
+msgstr "بذریعہ"
 
-msgid "next page"
-msgstr "اگلا صفحہ"
+msgid "Last updated on"
+msgstr "آخری بار تازہ کاری ہوئی"
 
 msgid "Toggle navigation"
 msgstr "نیویگیشن ٹوگل کریں"
 
+msgid "Sphinx Book Theme"
+msgstr "سپنکس بک تھیم"
+
 msgid "suggest edit"
 msgstr "ترمیم کی تجویز کریں"
 
-msgid "open issue"
-msgstr "کھلا مسئلہ"
+msgid "Open an issue"
+msgstr "ایک مسئلہ کھولیں"
 
 msgid "Launch"
 msgstr "لانچ کریں"
 
-msgid "Print to PDF"
-msgstr "پی ڈی ایف پرنٹ کریں"
+msgid "Edit this page"
+msgstr "اس صفحے میں ترمیم کریں"
 
 msgid "By the"
 msgstr "کی طرف"
 
-msgid "Last updated on"
-msgstr "آخری بار تازہ کاری ہوئی"
-
-msgid "Download source file"
-msgstr "سورس فائل ڈاؤن لوڈ کریں"
-
-msgid "Download this page"
-msgstr "اس صفحے کو ڈاؤن لوڈ کریں"
+msgid "next page"
+msgstr "اگلا صفحہ"
diff --git a/_static/locales/vi/LC_MESSAGES/booktheme.po b/_static/locales/vi/LC_MESSAGES/booktheme.po
index 116236dc6..33159f3ef 100644
--- a/_static/locales/vi/LC_MESSAGES/booktheme.po
+++ b/_static/locales/vi/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: vi\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "In sang PDF"
+
 msgid "Theme by the"
 msgstr "Chủ đề của"
 
-msgid "Open an issue"
-msgstr "Mở một vấn đề"
+msgid "Download source file"
+msgstr "Tải xuống tệp nguồn"
+
+msgid "open issue"
+msgstr "vấn đề mở"
 
 msgid "Contents"
 msgstr "Nội dung"
 
+msgid "previous page"
+msgstr "trang trước"
+
 msgid "Download notebook file"
 msgstr "Tải xuống tệp sổ tay"
 
-msgid "Sphinx Book Theme"
-msgstr "Chủ đề sách nhân sư"
-
-msgid "Fullscreen mode"
-msgstr "Chế độ toàn màn hình"
-
-msgid "Edit this page"
-msgstr "chỉnh sửa trang này"
-
-msgid "By"
-msgstr "Bởi"
-
 msgid "Copyright"
 msgstr "Bản quyền"
 
+msgid "Download this page"
+msgstr "Tải xuống trang này"
+
 msgid "Source repository"
 msgstr "Kho nguồn"
 
-msgid "previous page"
-msgstr "trang trước"
+msgid "By"
+msgstr "Bởi"
 
-msgid "next page"
-msgstr "Trang tiếp theo"
+msgid "repository"
+msgstr "kho"
+
+msgid "Last updated on"
+msgstr "Cập nhật lần cuối vào"
 
 msgid "Toggle navigation"
 msgstr "Chuyển đổi điều hướng thành"
 
-msgid "repository"
-msgstr "kho"
+msgid "Sphinx Book Theme"
+msgstr "Chủ đề sách nhân sư"
 
 msgid "suggest edit"
 msgstr "đề nghị chỉnh sửa"
 
-msgid "open issue"
-msgstr "vấn đề mở"
+msgid "Open an issue"
+msgstr "Mở một vấn đề"
 
 msgid "Launch"
 msgstr "Phóng"
 
-msgid "Print to PDF"
-msgstr "In sang PDF"
+msgid "Fullscreen mode"
+msgstr "Chế độ toàn màn hình"
+
+msgid "Edit this page"
+msgstr "chỉnh sửa trang này"
 
 msgid "By the"
 msgstr "Bằng"
 
-msgid "Last updated on"
-msgstr "Cập nhật lần cuối vào"
-
-msgid "Download source file"
-msgstr "Tải xuống tệp nguồn"
-
-msgid "Download this page"
-msgstr "Tải xuống trang này"
+msgid "next page"
+msgstr "Trang tiếp theo"
diff --git a/_static/locales/zh_CN/LC_MESSAGES/booktheme.po b/_static/locales/zh_CN/LC_MESSAGES/booktheme.po
index 4f4ab579f..2e519ef45 100644
--- a/_static/locales/zh_CN/LC_MESSAGES/booktheme.po
+++ b/_static/locales/zh_CN/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: zh_CN\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "列印成 PDF"
+
 msgid "Theme by the"
 msgstr "主题作者："
 
-msgid "Open an issue"
+msgid "Download source file"
+msgstr "下载源文件"
+
+msgid "open issue"
 msgstr "创建议题"
 
 msgid "Contents"
 msgstr "目录"
 
+msgid "previous page"
+msgstr "上一页"
+
 msgid "Download notebook file"
 msgstr "下载笔记本文件"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx Book 主题"
-
-msgid "Fullscreen mode"
-msgstr "全屏模式"
-
-msgid "Edit this page"
-msgstr "编辑此页面"
-
-msgid "By"
-msgstr "作者："
-
 msgid "Copyright"
 msgstr "版权"
 
+msgid "Download this page"
+msgstr "下载此页面"
+
 msgid "Source repository"
 msgstr "源码库"
 
-msgid "previous page"
-msgstr "上一页"
+msgid "By"
+msgstr "作者："
 
-msgid "next page"
-msgstr "下一页"
+msgid "repository"
+msgstr "仓库"
+
+msgid "Last updated on"
+msgstr "上次更新时间："
 
 msgid "Toggle navigation"
 msgstr "显示或隐藏导航栏"
 
-msgid "repository"
-msgstr "仓库"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx Book 主题"
 
 msgid "suggest edit"
 msgstr "提出修改建议"
 
-msgid "open issue"
+msgid "Open an issue"
 msgstr "创建议题"
 
 msgid "Launch"
 msgstr "启动"
 
-msgid "Print to PDF"
-msgstr "列印成 PDF"
+msgid "Fullscreen mode"
+msgstr "全屏模式"
+
+msgid "Edit this page"
+msgstr "编辑此页面"
 
 msgid "By the"
 msgstr "作者："
 
-msgid "Last updated on"
-msgstr "上次更新时间："
-
-msgid "Download source file"
-msgstr "下载源文件"
-
-msgid "Download this page"
-msgstr "下载此页面"
+msgid "next page"
+msgstr "下一页"
diff --git a/_static/locales/zh_TW/LC_MESSAGES/booktheme.po b/_static/locales/zh_TW/LC_MESSAGES/booktheme.po
index 42b43b86e..beecb076b 100644
--- a/_static/locales/zh_TW/LC_MESSAGES/booktheme.po
+++ b/_static/locales/zh_TW/LC_MESSAGES/booktheme.po
@@ -8,68 +8,68 @@ msgstr ""
 "Language: zh_TW\n"
 "Plural-Forms: nplurals=2; plural=(n != 1);\n"
 
+msgid "Print to PDF"
+msgstr "列印成 PDF"
+
 msgid "Theme by the"
 msgstr "佈景主題作者："
 
-msgid "Open an issue"
-msgstr "開啟議題"
+msgid "Download source file"
+msgstr "下載原始檔"
+
+msgid "open issue"
+msgstr "公開的問題"
 
 msgid "Contents"
 msgstr "目錄"
 
+msgid "previous page"
+msgstr "上一頁"
+
 msgid "Download notebook file"
 msgstr "下載 Notebook 檔案"
 
-msgid "Sphinx Book Theme"
-msgstr "Sphinx Book 佈景主題"
-
-msgid "Fullscreen mode"
-msgstr "全螢幕模式"
-
-msgid "Edit this page"
-msgstr "編輯此頁面"
-
-msgid "By"
-msgstr "作者："
-
 msgid "Copyright"
 msgstr "Copyright"
 
+msgid "Download this page"
+msgstr "下載此頁面"
+
 msgid "Source repository"
 msgstr "來源儲存庫"
 
-msgid "previous page"
-msgstr "上一頁"
+msgid "By"
+msgstr "作者："
 
-msgid "next page"
-msgstr "下一頁"
+msgid "repository"
+msgstr "儲存庫"
+
+msgid "Last updated on"
+msgstr "最後更新時間："
 
 msgid "Toggle navigation"
 msgstr "顯示或隱藏導覽列"
 
-msgid "repository"
-msgstr "儲存庫"
+msgid "Sphinx Book Theme"
+msgstr "Sphinx Book 佈景主題"
 
 msgid "suggest edit"
 msgstr "提出修改建議"
 
-msgid "open issue"
-msgstr "公開的問題"
+msgid "Open an issue"
+msgstr "開啟議題"
 
 msgid "Launch"
 msgstr "啟動"
 
-msgid "Print to PDF"
-msgstr "列印成 PDF"
+msgid "Fullscreen mode"
+msgstr "全螢幕模式"
+
+msgid "Edit this page"
+msgstr "編輯此頁面"
 
 msgid "By the"
 msgstr "作者："
 
-msgid "Last updated on"
-msgstr "最後更新時間："
-
-msgid "Download source file"
-msgstr "下載原始檔"
-
-msgid "Download this page"
-msgstr "下載此頁面"
+msgid "next page"
+msgstr "下一頁"
diff --git a/_static/scripts/bootstrap.js b/_static/scripts/bootstrap.js
index 4e209b0e1..c8178debb 100644
--- a/_static/scripts/bootstrap.js
+++ b/_static/scripts/bootstrap.js
@@ -1,3 +1,3 @@
 /*! For license information please see bootstrap.js.LICENSE.txt */
-(()=>{"use strict";var t={d:(e,i)=>{for(var n in i)t.o(i,n)&&!t.o(e,n)&&Object.defineProperty(e,n,{enumerable:!0,get:i[n]})},o:(t,e)=>Object.prototype.hasOwnProperty.call(t,e),r:t=>{"undefined"!=typeof Symbol&&Symbol.toStringTag&&Object.defineProperty(t,Symbol.toStringTag,{value:"Module"}),Object.defineProperty(t,"__esModule",{value:!0})}},e={};t.r(e),t.d(e,{afterMain:()=>E,afterRead:()=>v,afterWrite:()=>C,applyStyles:()=>$,arrow:()=>J,auto:()=>a,basePlacements:()=>l,beforeMain:()=>y,beforeRead:()=>_,beforeWrite:()=>A,bottom:()=>s,clippingParents:()=>d,computeStyles:()=>it,createPopper:()=>Dt,createPopperBase:()=>St,createPopperLite:()=>$t,detectOverflow:()=>_t,end:()=>h,eventListeners:()=>st,flip:()=>bt,hide:()=>wt,left:()=>r,main:()=>w,modifierPhases:()=>O,offset:()=>Et,placements:()=>g,popper:()=>f,popperGenerator:()=>Lt,popperOffsets:()=>At,preventOverflow:()=>Tt,read:()=>b,reference:()=>p,right:()=>o,start:()=>c,top:()=>n,variationPlacements:()=>m,viewport:()=>u,write:()=>T});var i={};t.r(i),t.d(i,{Alert:()=>Oe,Button:()=>ke,Carousel:()=>ri,Collapse:()=>yi,Dropdown:()=>Vi,Modal:()=>xn,Offcanvas:()=>Vn,Popover:()=>fs,ScrollSpy:()=>Ts,Tab:()=>Ks,Toast:()=>lo,Tooltip:()=>hs});var n="top",s="bottom",o="right",r="left",a="auto",l=[n,s,o,r],c="start",h="end",d="clippingParents",u="viewport",f="popper",p="reference",m=l.reduce((function(t,e){return t.concat([e+"-"+c,e+"-"+h])}),[]),g=[].concat(l,[a]).reduce((function(t,e){return t.concat([e,e+"-"+c,e+"-"+h])}),[]),_="beforeRead",b="read",v="afterRead",y="beforeMain",w="main",E="afterMain",A="beforeWrite",T="write",C="afterWrite",O=[_,b,v,y,w,E,A,T,C];function x(t){return t?(t.nodeName||"").toLowerCase():null}function k(t){if(null==t)return window;if("[object Window]"!==t.toString()){var e=t.ownerDocument;return e&&e.defaultView||window}return t}function L(t){return t instanceof k(t).Element||t instanceof Element}function S(t){return t instanceof k(t).HTMLElement||t instanceof HTMLElement}function 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me(t){if("true"===t)return!0;if("false"===t)return!1;if(t===Number(t).toString())return Number(t);if(""===t||"null"===t)return null;if("string"!=typeof t)return t;try{return JSON.parse(decodeURIComponent(t))}catch(e){return t}}function ge(t){return t.replace(/[A-Z]/g,(t=>`-${t.toLowerCase()}`))}const _e={setDataAttribute(t,e,i){t.setAttribute(`data-bs-${ge(e)}`,i)},removeDataAttribute(t,e){t.removeAttribute(`data-bs-${ge(e)}`)},getDataAttributes(t){if(!t)return{};const e={},i=Object.keys(t.dataset).filter((t=>t.startsWith("bs")&&!t.startsWith("bsConfig")));for(const n of i){let i=n.replace(/^bs/,"");i=i.charAt(0).toLowerCase()+i.slice(1,i.length),e[i]=me(t.dataset[n])}return e},getDataAttribute:(t,e)=>me(t.getAttribute(`data-bs-${ge(e)}`))};class be{static get Default(){return{}}static get DefaultType(){return{}}static get NAME(){throw new Error('You have to implement the static method "NAME", for each component!')}_getConfig(t){return 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NAME(){return"swipe"}dispose(){fe.off(this._element,Le)}_start(t){this._supportPointerEvents?this._eventIsPointerPenTouch(t)&&(this._deltaX=t.clientX):this._deltaX=t.touches[0].clientX}_end(t){this._eventIsPointerPenTouch(t)&&(this._deltaX=t.clientX-this._deltaX),this._handleSwipe(),Xt(this._config.endCallback)}_move(t){this._deltaX=t.touches&&t.touches.length>1?0:t.touches[0].clientX-this._deltaX}_handleSwipe(){const t=Math.abs(this._deltaX);if(t<=40)return;const e=t/this._deltaX;this._deltaX=0,e&&Xt(e>0?this._config.rightCallback:this._config.leftCallback)}_initEvents(){this._supportPointerEvents?(fe.on(this._element,Ie,(t=>this._start(t))),fe.on(this._element,Ne,(t=>this._end(t))),this._element.classList.add("pointer-event")):(fe.on(this._element,Se,(t=>this._start(t))),fe.on(this._element,De,(t=>this._move(t))),fe.on(this._element,$e,(t=>this._end(t))))}_eventIsPointerPenTouch(t){return this._supportPointerEvents&&("pen"===t.pointerType||"touch"===t.pointerType)}static isSupported(){return"ontouchstart"in document.documentElement||navigator.maxTouchPoints>0}}const Fe=".bs.carousel",He=".data-api",Be="next",We="prev",ze="left",Re="right",qe=`slide${Fe}`,Ve=`slid${Fe}`,Ye=`keydown${Fe}`,Ke=`mouseenter${Fe}`,Qe=`mouseleave${Fe}`,Xe=`dragstart${Fe}`,Ue=`load${Fe}${He}`,Ge=`click${Fe}${He}`,Je="carousel",Ze="active",ti=".active",ei=".carousel-item",ii=ti+ei,ni={ArrowLeft:Re,ArrowRight:ze},si={interval:5e3,keyboard:!0,pause:"hover",ride:!1,touch:!0,wrap:!0},oi={interval:"(number|boolean)",keyboard:"boolean",pause:"(string|boolean)",ride:"(boolean|string)",touch:"boolean",wrap:"boolean"};class ri extends ve{constructor(t,e){super(t,e),this._interval=null,this._activeElement=null,this._isSliding=!1,this.touchTimeout=null,this._swipeHelper=null,this._indicatorsElement=we.findOne(".carousel-indicators",this._element),this._addEventListeners(),this._config.ride===Je&&this.cycle()}static get Default(){return si}static get DefaultType(){return oi}static get 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t.defaultInterval=t.interval,t}_addEventListeners(){this._config.keyboard&&fe.on(this._element,Ye,(t=>this._keydown(t))),"hover"===this._config.pause&&(fe.on(this._element,Ke,(()=>this.pause())),fe.on(this._element,Qe,(()=>this._maybeEnableCycle()))),this._config.touch&&je.isSupported()&&this._addTouchEventListeners()}_addTouchEventListeners(){for(const t of we.find(".carousel-item img",this._element))fe.on(t,Xe,(t=>t.preventDefault()));const t={leftCallback:()=>this._slide(this._directionToOrder(ze)),rightCallback:()=>this._slide(this._directionToOrder(Re)),endCallback:()=>{"hover"===this._config.pause&&(this.pause(),this.touchTimeout&&clearTimeout(this.touchTimeout),this.touchTimeout=setTimeout((()=>this._maybeEnableCycle()),500+this._config.interval))}};this._swipeHelper=new je(this._element,t)}_keydown(t){if(/input|textarea/i.test(t.target.tagName))return;const e=ni[t.key];e&&(t.preventDefault(),this._slide(this._directionToOrder(e)))}_getItemIndex(t){return 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l=n?"carousel-item-start":"carousel-item-end",c=n?"carousel-item-next":"carousel-item-prev";s.classList.add(c),qt(s),i.classList.add(l),s.classList.add(l),this._queueCallback((()=>{s.classList.remove(l,c),s.classList.add(Ze),i.classList.remove(Ze,c,l),this._isSliding=!1,r(Ve)}),i,this._isAnimated()),a&&this.cycle()}_isAnimated(){return this._element.classList.contains("slide")}_getActive(){return we.findOne(ii,this._element)}_getItems(){return we.find(ei,this._element)}_clearInterval(){this._interval&&(clearInterval(this._interval),this._interval=null)}_directionToOrder(t){return Kt()?t===ze?We:Be:t===ze?Be:We}_orderToDirection(t){return Kt()?t===We?ze:Re:t===We?Re:ze}static jQueryInterface(t){return this.each((function(){const e=ri.getOrCreateInstance(this,t);if("number"!=typeof t){if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t]()}}else e.to(t)}))}}fe.on(document,Ge,"[data-bs-slide], 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e=we.getSelectorFromElement(t),i=we.find(e).filter((t=>t===this._element));null!==e&&i.length&&this._triggerArray.push(t)}this._initializeChildren(),this._config.parent||this._addAriaAndCollapsedClass(this._triggerArray,this._isShown()),this._config.toggle&&this.toggle()}static get Default(){return bi}static get DefaultType(){return vi}static get NAME(){return"collapse"}toggle(){this._isShown()?this.hide():this.show()}show(){if(this._isTransitioning||this._isShown())return;let t=[];if(this._config.parent&&(t=this._getFirstLevelChildren(".collapse.show, .collapse.collapsing").filter((t=>t!==this._element)).map((t=>yi.getOrCreateInstance(t,{toggle:!1})))),t.length&&t[0]._isTransitioning)return;if(fe.trigger(this._element,li).defaultPrevented)return;for(const e of t)e.hide();const e=this._getDimension();this._element.classList.remove(pi),this._element.classList.add(mi),this._element.style[e]=0,this._addAriaAndCollapsedClass(this._triggerArray,!0),this._isTransitioning=!0;const i=`scroll${e[0].toUpperCase()+e.slice(1)}`;this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(mi),this._element.classList.add(pi,fi),this._element.style[e]="",fe.trigger(this._element,ci)}),this._element,!0),this._element.style[e]=`${this._element[i]}px`}hide(){if(this._isTransitioning||!this._isShown())return;if(fe.trigger(this._element,hi).defaultPrevented)return;const t=this._getDimension();this._element.style[t]=`${this._element.getBoundingClientRect()[t]}px`,qt(this._element),this._element.classList.add(mi),this._element.classList.remove(pi,fi);for(const t of this._triggerArray){const e=we.getElementFromSelector(t);e&&!this._isShown(e)&&this._addAriaAndCollapsedClass([t],!1)}this._isTransitioning=!0,this._element.style[t]="",this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(mi),this._element.classList.add(pi),fe.trigger(this._element,di)}),this._element,!0)}_isShown(t=this._element){return t.classList.contains(fi)}_configAfterMerge(t){return t.toggle=Boolean(t.toggle),t.parent=Ht(t.parent),t}_getDimension(){return this._element.classList.contains("collapse-horizontal")?"width":"height"}_initializeChildren(){if(!this._config.parent)return;const t=this._getFirstLevelChildren(_i);for(const e of t){const t=we.getElementFromSelector(e);t&&this._addAriaAndCollapsedClass([e],this._isShown(t))}}_getFirstLevelChildren(t){const e=we.find(gi,this._config.parent);return we.find(t,this._config.parent).filter((t=>!e.includes(t)))}_addAriaAndCollapsedClass(t,e){if(t.length)for(const i of t)i.classList.toggle("collapsed",!e),i.setAttribute("aria-expanded",e)}static jQueryInterface(t){const e={};return"string"==typeof t&&/show|hide/.test(t)&&(e.toggle=!1),this.each((function(){const i=yi.getOrCreateInstance(this,e);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named 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wi="dropdown",Ei=".bs.dropdown",Ai=".data-api",Ti="ArrowUp",Ci="ArrowDown",Oi=`hide${Ei}`,xi=`hidden${Ei}`,ki=`show${Ei}`,Li=`shown${Ei}`,Si=`click${Ei}${Ai}`,Di=`keydown${Ei}${Ai}`,$i=`keyup${Ei}${Ai}`,Ii="show",Ni='[data-bs-toggle="dropdown"]:not(.disabled):not(:disabled)',Pi=`${Ni}.${Ii}`,Mi=".dropdown-menu",ji=Kt()?"top-end":"top-start",Fi=Kt()?"top-start":"top-end",Hi=Kt()?"bottom-end":"bottom-start",Bi=Kt()?"bottom-start":"bottom-end",Wi=Kt()?"left-start":"right-start",zi=Kt()?"right-start":"left-start",Ri={autoClose:!0,boundary:"clippingParents",display:"dynamic",offset:[0,2],popperConfig:null,reference:"toggle"},qi={autoClose:"(boolean|string)",boundary:"(string|element)",display:"string",offset:"(array|string|function)",popperConfig:"(null|object|function)",reference:"(string|element|object)"};class Vi extends ve{constructor(t,e){super(t,e),this._popper=null,this._parent=this._element.parentNode,this._menu=we.next(this._element,Mi)[0]||we.prev(this._element,Mi)[0]||we.findOne(Mi,this._parent),this._inNavbar=this._detectNavbar()}static get Default(){return Ri}static get DefaultType(){return qi}static get NAME(){return wi}toggle(){return this._isShown()?this.hide():this.show()}show(){if(Wt(this._element)||this._isShown())return;const t={relatedTarget:this._element};if(!fe.trigger(this._element,ki,t).defaultPrevented){if(this._createPopper(),"ontouchstart"in document.documentElement&&!this._parent.closest(".navbar-nav"))for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._element.focus(),this._element.setAttribute("aria-expanded",!0),this._menu.classList.add(Ii),this._element.classList.add(Ii),fe.trigger(this._element,Li,t)}}hide(){if(Wt(this._element)||!this._isShown())return;const t={relatedTarget:this._element};this._completeHide(t)}dispose(){this._popper&&this._popper.destroy(),super.dispose()}update(){this._inNavbar=this._detectNavbar(),this._popper&&this._popper.update()}_completeHide(t){if(!fe.trigger(this._element,Oi,t).defaultPrevented){if("ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._popper&&this._popper.destroy(),this._menu.classList.remove(Ii),this._element.classList.remove(Ii),this._element.setAttribute("aria-expanded","false"),_e.removeDataAttribute(this._menu,"popper"),fe.trigger(this._element,xi,t)}}_getConfig(t){if("object"==typeof(t=super._getConfig(t)).reference&&!Ft(t.reference)&&"function"!=typeof t.reference.getBoundingClientRect)throw new TypeError(`${wi.toUpperCase()}: Option "reference" provided type "object" without a required "getBoundingClientRect" method.`);return t}_createPopper(){if(void 0===e)throw new TypeError("Bootstrap's dropdowns require Popper (https://popper.js.org)");let t=this._element;"parent"===this._config.reference?t=this._parent:Ft(this._config.reference)?t=Ht(this._config.reference):"object"==typeof this._config.reference&&(t=this._config.reference);const i=this._getPopperConfig();this._popper=Dt(t,this._menu,i)}_isShown(){return this._menu.classList.contains(Ii)}_getPlacement(){const t=this._parent;if(t.classList.contains("dropend"))return Wi;if(t.classList.contains("dropstart"))return zi;if(t.classList.contains("dropup-center"))return"top";if(t.classList.contains("dropdown-center"))return"bottom";const e="end"===getComputedStyle(this._menu).getPropertyValue("--bs-position").trim();return t.classList.contains("dropup")?e?Fi:ji:e?Bi:Hi}_detectNavbar(){return null!==this._element.closest(".navbar")}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_getPopperConfig(){const t={placement:this._getPlacement(),modifiers:[{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"offset",options:{offset:this._getOffset()}}]};return(this._inNavbar||"static"===this._config.display)&&(_e.setDataAttribute(this._menu,"popper","static"),t.modifiers=[{name:"applyStyles",enabled:!1}]),{...t,...Xt(this._config.popperConfig,[t])}}_selectMenuItem({key:t,target:e}){const i=we.find(".dropdown-menu .dropdown-item:not(.disabled):not(:disabled)",this._menu).filter((t=>Bt(t)));i.length&&Gt(i,e,t===Ci,!i.includes(e)).focus()}static jQueryInterface(t){return this.each((function(){const e=Vi.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}static clearMenus(t){if(2===t.button||"keyup"===t.type&&"Tab"!==t.key)return;const e=we.find(Pi);for(const i of e){const e=Vi.getInstance(i);if(!e||!1===e._config.autoClose)continue;const n=t.composedPath(),s=n.includes(e._menu);if(n.includes(e._element)||"inside"===e._config.autoClose&&!s||"outside"===e._config.autoClose&&s)continue;if(e._menu.contains(t.target)&&("keyup"===t.type&&"Tab"===t.key||/input|select|option|textarea|form/i.test(t.target.tagName)))continue;const o={relatedTarget:e._element};"click"===t.type&&(o.clickEvent=t),e._completeHide(o)}}static dataApiKeydownHandler(t){const e=/input|textarea/i.test(t.target.tagName),i="Escape"===t.key,n=[Ti,Ci].includes(t.key);if(!n&&!i)return;if(e&&!i)return;t.preventDefault();const s=this.matches(Ni)?this:we.prev(this,Ni)[0]||we.next(this,Ni)[0]||we.findOne(Ni,t.delegateTarget.parentNode),o=Vi.getOrCreateInstance(s);if(n)return t.stopPropagation(),o.show(),void o._selectMenuItem(t);o._isShown()&&(t.stopPropagation(),o.hide(),s.focus())}}fe.on(document,Di,Ni,Vi.dataApiKeydownHandler),fe.on(document,Di,Mi,Vi.dataApiKeydownHandler),fe.on(document,Si,Vi.clearMenus),fe.on(document,$i,Vi.clearMenus),fe.on(document,Si,Ni,(function(t){t.preventDefault(),Vi.getOrCreateInstance(this).toggle()})),Qt(Vi);const Yi="backdrop",Ki="show",Qi=`mousedown.bs.${Yi}`,Xi={className:"modal-backdrop",clickCallback:null,isAnimated:!1,isVisible:!0,rootElement:"body"},Ui={className:"string",clickCallback:"(function|null)",isAnimated:"boolean",isVisible:"boolean",rootElement:"(element|string)"};class Gi extends be{constructor(t){super(),this._config=this._getConfig(t),this._isAppended=!1,this._element=null}static get Default(){return Xi}static get DefaultType(){return Ui}static get NAME(){return Yi}show(t){if(!this._config.isVisible)return void Xt(t);this._append();const e=this._getElement();this._config.isAnimated&&qt(e),e.classList.add(Ki),this._emulateAnimation((()=>{Xt(t)}))}hide(t){this._config.isVisible?(this._getElement().classList.remove(Ki),this._emulateAnimation((()=>{this.dispose(),Xt(t)}))):Xt(t)}dispose(){this._isAppended&&(fe.off(this._element,Qi),this._element.remove(),this._isAppended=!1)}_getElement(){if(!this._element){const t=document.createElement("div");t.className=this._config.className,this._config.isAnimated&&t.classList.add("fade"),this._element=t}return this._element}_configAfterMerge(t){return t.rootElement=Ht(t.rootElement),t}_append(){if(this._isAppended)return;const t=this._getElement();this._config.rootElement.append(t),fe.on(t,Qi,(()=>{Xt(this._config.clickCallback)})),this._isAppended=!0}_emulateAnimation(t){Ut(t,this._getElement(),this._config.isAnimated)}}const Ji=".bs.focustrap",Zi=`focusin${Ji}`,tn=`keydown.tab${Ji}`,en="backward",nn={autofocus:!0,trapElement:null},sn={autofocus:"boolean",trapElement:"element"};class on extends be{constructor(t){super(),this._config=this._getConfig(t),this._isActive=!1,this._lastTabNavDirection=null}static get Default(){return nn}static get DefaultType(){return sn}static get NAME(){return"focustrap"}activate(){this._isActive||(this._config.autofocus&&this._config.trapElement.focus(),fe.off(document,Ji),fe.on(document,Zi,(t=>this._handleFocusin(t))),fe.on(document,tn,(t=>this._handleKeydown(t))),this._isActive=!0)}deactivate(){this._isActive&&(this._isActive=!1,fe.off(document,Ji))}_handleFocusin(t){const{trapElement:e}=this._config;if(t.target===document||t.target===e||e.contains(t.target))return;const i=we.focusableChildren(e);0===i.length?e.focus():this._lastTabNavDirection===en?i[i.length-1].focus():i[0].focus()}_handleKeydown(t){"Tab"===t.key&&(this._lastTabNavDirection=t.shiftKey?en:"forward")}}const rn=".fixed-top, .fixed-bottom, .is-fixed, .sticky-top",an=".sticky-top",ln="padding-right",cn="margin-right";class hn{constructor(){this._element=document.body}getWidth(){const t=document.documentElement.clientWidth;return Math.abs(window.innerWidth-t)}hide(){const t=this.getWidth();this._disableOverFlow(),this._setElementAttributes(this._element,ln,(e=>e+t)),this._setElementAttributes(rn,ln,(e=>e+t)),this._setElementAttributes(an,cn,(e=>e-t))}reset(){this._resetElementAttributes(this._element,"overflow"),this._resetElementAttributes(this._element,ln),this._resetElementAttributes(rn,ln),this._resetElementAttributes(an,cn)}isOverflowing(){return this.getWidth()>0}_disableOverFlow(){this._saveInitialAttribute(this._element,"overflow"),this._element.style.overflow="hidden"}_setElementAttributes(t,e,i){const n=this.getWidth();this._applyManipulationCallback(t,(t=>{if(t!==this._element&&window.innerWidth>t.clientWidth+n)return;this._saveInitialAttribute(t,e);const s=window.getComputedStyle(t).getPropertyValue(e);t.style.setProperty(e,`${i(Number.parseFloat(s))}px`)}))}_saveInitialAttribute(t,e){const i=t.style.getPropertyValue(e);i&&_e.setDataAttribute(t,e,i)}_resetElementAttributes(t,e){this._applyManipulationCallback(t,(t=>{const i=_e.getDataAttribute(t,e);null!==i?(_e.removeDataAttribute(t,e),t.style.setProperty(e,i)):t.style.removeProperty(e)}))}_applyManipulationCallback(t,e){if(Ft(t))e(t);else for(const i of we.find(t,this._element))e(i)}}const dn=".bs.modal",un=`hide${dn}`,fn=`hidePrevented${dn}`,pn=`hidden${dn}`,mn=`show${dn}`,gn=`shown${dn}`,_n=`resize${dn}`,bn=`click.dismiss${dn}`,vn=`mousedown.dismiss${dn}`,yn=`keydown.dismiss${dn}`,wn=`click${dn}.data-api`,En="modal-open",An="show",Tn="modal-static",Cn={backdrop:!0,focus:!0,keyboard:!0},On={backdrop:"(boolean|string)",focus:"boolean",keyboard:"boolean"};class xn extends ve{constructor(t,e){super(t,e),this._dialog=we.findOne(".modal-dialog",this._element),this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._isShown=!1,this._isTransitioning=!1,this._scrollBar=new hn,this._addEventListeners()}static get Default(){return Cn}static get DefaultType(){return On}static get NAME(){return"modal"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||this._isTransitioning||fe.trigger(this._element,mn,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._isTransitioning=!0,this._scrollBar.hide(),document.body.classList.add(En),this._adjustDialog(),this._backdrop.show((()=>this._showElement(t))))}hide(){this._isShown&&!this._isTransitioning&&(fe.trigger(this._element,un).defaultPrevented||(this._isShown=!1,this._isTransitioning=!0,this._focustrap.deactivate(),this._element.classList.remove(An),this._queueCallback((()=>this._hideModal()),this._element,this._isAnimated())))}dispose(){fe.off(window,dn),fe.off(this._dialog,dn),this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}handleUpdate(){this._adjustDialog()}_initializeBackDrop(){return new Gi({isVisible:Boolean(this._config.backdrop),isAnimated:this._isAnimated()})}_initializeFocusTrap(){return new on({trapElement:this._element})}_showElement(t){document.body.contains(this._element)||document.body.append(this._element),this._element.style.display="block",this._element.removeAttribute("aria-hidden"),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.scrollTop=0;const e=we.findOne(".modal-body",this._dialog);e&&(e.scrollTop=0),qt(this._element),this._element.classList.add(An),this._queueCallback((()=>{this._config.focus&&this._focustrap.activate(),this._isTransitioning=!1,fe.trigger(this._element,gn,{relatedTarget:t})}),this._dialog,this._isAnimated())}_addEventListeners(){fe.on(this._element,yn,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():this._triggerBackdropTransition())})),fe.on(window,_n,(()=>{this._isShown&&!this._isTransitioning&&this._adjustDialog()})),fe.on(this._element,vn,(t=>{fe.one(this._element,bn,(e=>{this._element===t.target&&this._element===e.target&&("static"!==this._config.backdrop?this._config.backdrop&&this.hide():this._triggerBackdropTransition())}))}))}_hideModal(){this._element.style.display="none",this._element.setAttribute("aria-hidden",!0),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._isTransitioning=!1,this._backdrop.hide((()=>{document.body.classList.remove(En),this._resetAdjustments(),this._scrollBar.reset(),fe.trigger(this._element,pn)}))}_isAnimated(){return this._element.classList.contains("fade")}_triggerBackdropTransition(){if(fe.trigger(this._element,fn).defaultPrevented)return;const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._element.style.overflowY;"hidden"===e||this._element.classList.contains(Tn)||(t||(this._element.style.overflowY="hidden"),this._element.classList.add(Tn),this._queueCallback((()=>{this._element.classList.remove(Tn),this._queueCallback((()=>{this._element.style.overflowY=e}),this._dialog)}),this._dialog),this._element.focus())}_adjustDialog(){const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._scrollBar.getWidth(),i=e>0;if(i&&!t){const t=Kt()?"paddingLeft":"paddingRight";this._element.style[t]=`${e}px`}if(!i&&t){const t=Kt()?"paddingRight":"paddingLeft";this._element.style[t]=`${e}px`}}_resetAdjustments(){this._element.style.paddingLeft="",this._element.style.paddingRight=""}static jQueryInterface(t,e){return this.each((function(){const i=xn.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named "${t}"`);i[t](e)}}))}}fe.on(document,wn,'[data-bs-toggle="modal"]',(function(t){const e=we.getElementFromSelector(this);["A","AREA"].includes(this.tagName)&&t.preventDefault(),fe.one(e,mn,(t=>{t.defaultPrevented||fe.one(e,pn,(()=>{Bt(this)&&this.focus()}))}));const i=we.findOne(".modal.show");i&&xn.getInstance(i).hide(),xn.getOrCreateInstance(e).toggle(this)})),Ee(xn),Qt(xn);const kn=".bs.offcanvas",Ln=".data-api",Sn=`load${kn}${Ln}`,Dn="show",$n="showing",In="hiding",Nn=".offcanvas.show",Pn=`show${kn}`,Mn=`shown${kn}`,jn=`hide${kn}`,Fn=`hidePrevented${kn}`,Hn=`hidden${kn}`,Bn=`resize${kn}`,Wn=`click${kn}${Ln}`,zn=`keydown.dismiss${kn}`,Rn={backdrop:!0,keyboard:!0,scroll:!1},qn={backdrop:"(boolean|string)",keyboard:"boolean",scroll:"boolean"};class Vn extends ve{constructor(t,e){super(t,e),this._isShown=!1,this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._addEventListeners()}static get Default(){return Rn}static get DefaultType(){return qn}static get NAME(){return"offcanvas"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||fe.trigger(this._element,Pn,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._backdrop.show(),this._config.scroll||(new hn).hide(),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.classList.add($n),this._queueCallback((()=>{this._config.scroll&&!this._config.backdrop||this._focustrap.activate(),this._element.classList.add(Dn),this._element.classList.remove($n),fe.trigger(this._element,Mn,{relatedTarget:t})}),this._element,!0))}hide(){this._isShown&&(fe.trigger(this._element,jn).defaultPrevented||(this._focustrap.deactivate(),this._element.blur(),this._isShown=!1,this._element.classList.add(In),this._backdrop.hide(),this._queueCallback((()=>{this._element.classList.remove(Dn,In),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._config.scroll||(new hn).reset(),fe.trigger(this._element,Hn)}),this._element,!0)))}dispose(){this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}_initializeBackDrop(){const t=Boolean(this._config.backdrop);return new Gi({className:"offcanvas-backdrop",isVisible:t,isAnimated:!0,rootElement:this._element.parentNode,clickCallback:t?()=>{"static"!==this._config.backdrop?this.hide():fe.trigger(this._element,Fn)}:null})}_initializeFocusTrap(){return new on({trapElement:this._element})}_addEventListeners(){fe.on(this._element,zn,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():fe.trigger(this._element,Fn))}))}static jQueryInterface(t){return this.each((function(){const e=Vn.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t](this)}}))}}fe.on(document,Wn,'[data-bs-toggle="offcanvas"]',(function(t){const e=we.getElementFromSelector(this);if(["A","AREA"].includes(this.tagName)&&t.preventDefault(),Wt(this))return;fe.one(e,Hn,(()=>{Bt(this)&&this.focus()}));const i=we.findOne(Nn);i&&i!==e&&Vn.getInstance(i).hide(),Vn.getOrCreateInstance(e).toggle(this)})),fe.on(window,Sn,(()=>{for(const t of we.find(Nn))Vn.getOrCreateInstance(t).show()})),fe.on(window,Bn,(()=>{for(const t of we.find("[aria-modal][class*=show][class*=offcanvas-]"))"fixed"!==getComputedStyle(t).position&&Vn.getOrCreateInstance(t).hide()})),Ee(Vn),Qt(Vn);const Yn={"*":["class","dir","id","lang","role",/^aria-[\w-]*$/i],a:["target","href","title","rel"],area:[],b:[],br:[],col:[],code:[],div:[],em:[],hr:[],h1:[],h2:[],h3:[],h4:[],h5:[],h6:[],i:[],img:["src","srcset","alt","title","width","height"],li:[],ol:[],p:[],pre:[],s:[],small:[],span:[],sub:[],sup:[],strong:[],u:[],ul:[]},Kn=new Set(["background","cite","href","itemtype","longdesc","poster","src","xlink:href"]),Qn=/^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i,Xn=(t,e)=>{const i=t.nodeName.toLowerCase();return e.includes(i)?!Kn.has(i)||Boolean(Qn.test(t.nodeValue)):e.filter((t=>t instanceof RegExp)).some((t=>t.test(i)))},Un={allowList:Yn,content:{},extraClass:"",html:!1,sanitize:!0,sanitizeFn:null,template:"<div></div>"},Gn={allowList:"object",content:"object",extraClass:"(string|function)",html:"boolean",sanitize:"boolean",sanitizeFn:"(null|function)",template:"string"},Jn={entry:"(string|element|function|null)",selector:"(string|element)"};class Zn extends be{constructor(t){super(),this._config=this._getConfig(t)}static get Default(){return Un}static get DefaultType(){return Gn}static get NAME(){return"TemplateFactory"}getContent(){return Object.values(this._config.content).map((t=>this._resolvePossibleFunction(t))).filter(Boolean)}hasContent(){return this.getContent().length>0}changeContent(t){return this._checkContent(t),this._config.content={...this._config.content,...t},this}toHtml(){const t=document.createElement("div");t.innerHTML=this._maybeSanitize(this._config.template);for(const[e,i]of Object.entries(this._config.content))this._setContent(t,i,e);const e=t.children[0],i=this._resolvePossibleFunction(this._config.extraClass);return i&&e.classList.add(...i.split(" ")),e}_typeCheckConfig(t){super._typeCheckConfig(t),this._checkContent(t.content)}_checkContent(t){for(const[e,i]of Object.entries(t))super._typeCheckConfig({selector:e,entry:i},Jn)}_setContent(t,e,i){const n=we.findOne(i,t);n&&((e=this._resolvePossibleFunction(e))?Ft(e)?this._putElementInTemplate(Ht(e),n):this._config.html?n.innerHTML=this._maybeSanitize(e):n.textContent=e:n.remove())}_maybeSanitize(t){return this._config.sanitize?function(t,e,i){if(!t.length)return t;if(i&&"function"==typeof i)return i(t);const n=(new window.DOMParser).parseFromString(t,"text/html"),s=[].concat(...n.body.querySelectorAll("*"));for(const t of s){const i=t.nodeName.toLowerCase();if(!Object.keys(e).includes(i)){t.remove();continue}const n=[].concat(...t.attributes),s=[].concat(e["*"]||[],e[i]||[]);for(const e of n)Xn(e,s)||t.removeAttribute(e.nodeName)}return n.body.innerHTML}(t,this._config.allowList,this._config.sanitizeFn):t}_resolvePossibleFunction(t){return Xt(t,[this])}_putElementInTemplate(t,e){if(this._config.html)return e.innerHTML="",void e.append(t);e.textContent=t.textContent}}const ts=new Set(["sanitize","allowList","sanitizeFn"]),es="fade",is="show",ns=".modal",ss="hide.bs.modal",os="hover",rs="focus",as={AUTO:"auto",TOP:"top",RIGHT:Kt()?"left":"right",BOTTOM:"bottom",LEFT:Kt()?"right":"left"},ls={allowList:Yn,animation:!0,boundary:"clippingParents",container:!1,customClass:"",delay:0,fallbackPlacements:["top","right","bottom","left"],html:!1,offset:[0,6],placement:"top",popperConfig:null,sanitize:!0,sanitizeFn:null,selector:!1,template:'<div class="tooltip" role="tooltip"><div class="tooltip-arrow"></div><div class="tooltip-inner"></div></div>',title:"",trigger:"hover focus"},cs={allowList:"object",animation:"boolean",boundary:"(string|element)",container:"(string|element|boolean)",customClass:"(string|function)",delay:"(number|object)",fallbackPlacements:"array",html:"boolean",offset:"(array|string|function)",placement:"(string|function)",popperConfig:"(null|object|function)",sanitize:"boolean",sanitizeFn:"(null|function)",selector:"(string|boolean)",template:"string",title:"(string|element|function)",trigger:"string"};class hs extends ve{constructor(t,i){if(void 0===e)throw new TypeError("Bootstrap's tooltips require Popper (https://popper.js.org)");super(t,i),this._isEnabled=!0,this._timeout=0,this._isHovered=null,this._activeTrigger={},this._popper=null,this._templateFactory=null,this._newContent=null,this.tip=null,this._setListeners(),this._config.selector||this._fixTitle()}static get Default(){return ls}static get DefaultType(){return cs}static get NAME(){return"tooltip"}enable(){this._isEnabled=!0}disable(){this._isEnabled=!1}toggleEnabled(){this._isEnabled=!this._isEnabled}toggle(){this._isEnabled&&(this._activeTrigger.click=!this._activeTrigger.click,this._isShown()?this._leave():this._enter())}dispose(){clearTimeout(this._timeout),fe.off(this._element.closest(ns),ss,this._hideModalHandler),this._element.getAttribute("data-bs-original-title")&&this._element.setAttribute("title",this._element.getAttribute("data-bs-original-title")),this._disposePopper(),super.dispose()}show(){if("none"===this._element.style.display)throw new Error("Please use show on visible elements");if(!this._isWithContent()||!this._isEnabled)return;const t=fe.trigger(this._element,this.constructor.eventName("show")),e=(zt(this._element)||this._element.ownerDocument.documentElement).contains(this._element);if(t.defaultPrevented||!e)return;this._disposePopper();const i=this._getTipElement();this._element.setAttribute("aria-describedby",i.getAttribute("id"));const{container:n}=this._config;if(this._element.ownerDocument.documentElement.contains(this.tip)||(n.append(i),fe.trigger(this._element,this.constructor.eventName("inserted"))),this._popper=this._createPopper(i),i.classList.add(is),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._queueCallback((()=>{fe.trigger(this._element,this.constructor.eventName("shown")),!1===this._isHovered&&this._leave(),this._isHovered=!1}),this.tip,this._isAnimated())}hide(){if(this._isShown()&&!fe.trigger(this._element,this.constructor.eventName("hide")).defaultPrevented){if(this._getTipElement().classList.remove(is),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._activeTrigger.click=!1,this._activeTrigger[rs]=!1,this._activeTrigger[os]=!1,this._isHovered=null,this._queueCallback((()=>{this._isWithActiveTrigger()||(this._isHovered||this._disposePopper(),this._element.removeAttribute("aria-describedby"),fe.trigger(this._element,this.constructor.eventName("hidden")))}),this.tip,this._isAnimated())}}update(){this._popper&&this._popper.update()}_isWithContent(){return Boolean(this._getTitle())}_getTipElement(){return this.tip||(this.tip=this._createTipElement(this._newContent||this._getContentForTemplate())),this.tip}_createTipElement(t){const e=this._getTemplateFactory(t).toHtml();if(!e)return null;e.classList.remove(es,is),e.classList.add(`bs-${this.constructor.NAME}-auto`);const i=(t=>{do{t+=Math.floor(1e6*Math.random())}while(document.getElementById(t));return t})(this.constructor.NAME).toString();return e.setAttribute("id",i),this._isAnimated()&&e.classList.add(es),e}setContent(t){this._newContent=t,this._isShown()&&(this._disposePopper(),this.show())}_getTemplateFactory(t){return this._templateFactory?this._templateFactory.changeContent(t):this._templateFactory=new Zn({...this._config,content:t,extraClass:this._resolvePossibleFunction(this._config.customClass)}),this._templateFactory}_getContentForTemplate(){return{".tooltip-inner":this._getTitle()}}_getTitle(){return this._resolvePossibleFunction(this._config.title)||this._element.getAttribute("data-bs-original-title")}_initializeOnDelegatedTarget(t){return this.constructor.getOrCreateInstance(t.delegateTarget,this._getDelegateConfig())}_isAnimated(){return this._config.animation||this.tip&&this.tip.classList.contains(es)}_isShown(){return this.tip&&this.tip.classList.contains(is)}_createPopper(t){const e=Xt(this._config.placement,[this,t,this._element]),i=as[e.toUpperCase()];return Dt(this._element,t,this._getPopperConfig(i))}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_resolvePossibleFunction(t){return Xt(t,[this._element])}_getPopperConfig(t){const e={placement:t,modifiers:[{name:"flip",options:{fallbackPlacements:this._config.fallbackPlacements}},{name:"offset",options:{offset:this._getOffset()}},{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"arrow",options:{element:`.${this.constructor.NAME}-arrow`}},{name:"preSetPlacement",enabled:!0,phase:"beforeMain",fn:t=>{this._getTipElement().setAttribute("data-popper-placement",t.state.placement)}}]};return{...e,...Xt(this._config.popperConfig,[e])}}_setListeners(){const t=this._config.trigger.split(" ");for(const e of t)if("click"===e)fe.on(this._element,this.constructor.eventName("click"),this._config.selector,(t=>{this._initializeOnDelegatedTarget(t).toggle()}));else 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.collapse.collapsing").filter((t=>t!==this._element)).map((t=>Ei.getOrCreateInstance(t,{toggle:!1})))),t.length&&t[0]._isTransitioning)return;if(fe.trigger(this._element,hi).defaultPrevented)return;for(const e of t)e.hide();const e=this._getDimension();this._element.classList.remove(gi),this._element.classList.add(_i),this._element.style[e]=0,this._addAriaAndCollapsedClass(this._triggerArray,!0),this._isTransitioning=!0;const i=`scroll${e[0].toUpperCase()+e.slice(1)}`;this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(_i),this._element.classList.add(gi,mi),this._element.style[e]="",fe.trigger(this._element,di)}),this._element,!0),this._element.style[e]=`${this._element[i]}px`}hide(){if(this._isTransitioning||!this._isShown())return;if(fe.trigger(this._element,ui).defaultPrevented)return;const t=this._getDimension();this._element.style[t]=`${this._element.getBoundingClientRect()[t]}px`,qt(this._element),this._element.classList.add(_i),this._element.classList.remove(gi,mi);for(const t of this._triggerArray){const e=we.getElementFromSelector(t);e&&!this._isShown(e)&&this._addAriaAndCollapsedClass([t],!1)}this._isTransitioning=!0,this._element.style[t]="",this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(_i),this._element.classList.add(gi),fe.trigger(this._element,fi)}),this._element,!0)}_isShown(t=this._element){return t.classList.contains(mi)}_configAfterMerge(t){return t.toggle=Boolean(t.toggle),t.parent=Ht(t.parent),t}_getDimension(){return this._element.classList.contains("collapse-horizontal")?"width":"height"}_initializeChildren(){if(!this._config.parent)return;const t=this._getFirstLevelChildren(vi);for(const e of t){const t=we.getElementFromSelector(e);t&&this._addAriaAndCollapsedClass([e],this._isShown(t))}}_getFirstLevelChildren(t){const e=we.find(bi,this._config.parent);return we.find(t,this._config.parent).filter((t=>!e.includes(t)))}_addAriaAndCollapsedClass(t,e){if(t.length)for(const i of t)i.classList.toggle("collapsed",!e),i.setAttribute("aria-expanded",e)}static jQueryInterface(t){const e={};return"string"==typeof t&&/show|hide/.test(t)&&(e.toggle=!1),this.each((function(){const i=Ei.getOrCreateInstance(this,e);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named "${t}"`);i[t]()}}))}}fe.on(document,pi,vi,(function(t){("A"===t.target.tagName||t.delegateTarget&&"A"===t.delegateTarget.tagName)&&t.preventDefault();for(const t of we.getMultipleElementsFromSelector(this))Ei.getOrCreateInstance(t,{toggle:!1}).toggle()})),Qt(Ei);const Ai="dropdown",Ti=".bs.dropdown",Ci=".data-api",Oi="ArrowUp",xi="ArrowDown",ki=`hide${Ti}`,Li=`hidden${Ti}`,Si=`show${Ti}`,Di=`shown${Ti}`,$i=`click${Ti}${Ci}`,Ii=`keydown${Ti}${Ci}`,Ni=`keyup${Ti}${Ci}`,Pi="show",Mi='[data-bs-toggle="dropdown"]:not(.disabled):not(:disabled)',ji=`${Mi}.${Pi}`,Fi=".dropdown-menu",Hi=Kt()?"top-end":"top-start",Bi=Kt()?"top-start":"top-end",Wi=Kt()?"bottom-end":"bottom-start",zi=Kt()?"bottom-start":"bottom-end",Ri=Kt()?"left-start":"right-start",qi=Kt()?"right-start":"left-start",Vi={autoClose:!0,boundary:"clippingParents",display:"dynamic",offset:[0,2],popperConfig:null,reference:"toggle"},Yi={autoClose:"(boolean|string)",boundary:"(string|element)",display:"string",offset:"(array|string|function)",popperConfig:"(null|object|function)",reference:"(string|element|object)"};class Ki extends ve{constructor(t,e){super(t,e),this._popper=null,this._parent=this._element.parentNode,this._menu=we.next(this._element,Fi)[0]||we.prev(this._element,Fi)[0]||we.findOne(Fi,this._parent),this._inNavbar=this._detectNavbar()}static get Default(){return Vi}static get DefaultType(){return Yi}static get NAME(){return Ai}toggle(){return this._isShown()?this.hide():this.show()}show(){if(Wt(this._element)||this._isShown())return;const t={relatedTarget:this._element};if(!fe.trigger(this._element,Si,t).defaultPrevented){if(this._createPopper(),"ontouchstart"in document.documentElement&&!this._parent.closest(".navbar-nav"))for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._element.focus(),this._element.setAttribute("aria-expanded",!0),this._menu.classList.add(Pi),this._element.classList.add(Pi),fe.trigger(this._element,Di,t)}}hide(){if(Wt(this._element)||!this._isShown())return;const t={relatedTarget:this._element};this._completeHide(t)}dispose(){this._popper&&this._popper.destroy(),super.dispose()}update(){this._inNavbar=this._detectNavbar(),this._popper&&this._popper.update()}_completeHide(t){if(!fe.trigger(this._element,ki,t).defaultPrevented){if("ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._popper&&this._popper.destroy(),this._menu.classList.remove(Pi),this._element.classList.remove(Pi),this._element.setAttribute("aria-expanded","false"),_e.removeDataAttribute(this._menu,"popper"),fe.trigger(this._element,Li,t)}}_getConfig(t){if("object"==typeof(t=super._getConfig(t)).reference&&!Ft(t.reference)&&"function"!=typeof t.reference.getBoundingClientRect)throw new TypeError(`${Ai.toUpperCase()}: Option "reference" provided type "object" without a required "getBoundingClientRect" method.`);return t}_createPopper(){if(void 0===e)throw new TypeError("Bootstrap's dropdowns require Popper (https://popper.js.org)");let t=this._element;"parent"===this._config.reference?t=this._parent:Ft(this._config.reference)?t=Ht(this._config.reference):"object"==typeof this._config.reference&&(t=this._config.reference);const i=this._getPopperConfig();this._popper=Dt(t,this._menu,i)}_isShown(){return this._menu.classList.contains(Pi)}_getPlacement(){const t=this._parent;if(t.classList.contains("dropend"))return Ri;if(t.classList.contains("dropstart"))return qi;if(t.classList.contains("dropup-center"))return"top";if(t.classList.contains("dropdown-center"))return"bottom";const e="end"===getComputedStyle(this._menu).getPropertyValue("--bs-position").trim();return t.classList.contains("dropup")?e?Bi:Hi:e?zi:Wi}_detectNavbar(){return null!==this._element.closest(".navbar")}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_getPopperConfig(){const t={placement:this._getPlacement(),modifiers:[{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"offset",options:{offset:this._getOffset()}}]};return(this._inNavbar||"static"===this._config.display)&&(_e.setDataAttribute(this._menu,"popper","static"),t.modifiers=[{name:"applyStyles",enabled:!1}]),{...t,...Xt(this._config.popperConfig,[t])}}_selectMenuItem({key:t,target:e}){const i=we.find(".dropdown-menu .dropdown-item:not(.disabled):not(:disabled)",this._menu).filter((t=>Bt(t)));i.length&&Gt(i,e,t===xi,!i.includes(e)).focus()}static jQueryInterface(t){return this.each((function(){const e=Ki.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}static clearMenus(t){if(2===t.button||"keyup"===t.type&&"Tab"!==t.key)return;const e=we.find(ji);for(const i of e){const e=Ki.getInstance(i);if(!e||!1===e._config.autoClose)continue;const n=t.composedPath(),s=n.includes(e._menu);if(n.includes(e._element)||"inside"===e._config.autoClose&&!s||"outside"===e._config.autoClose&&s)continue;if(e._menu.contains(t.target)&&("keyup"===t.type&&"Tab"===t.key||/input|select|option|textarea|form/i.test(t.target.tagName)))continue;const o={relatedTarget:e._element};"click"===t.type&&(o.clickEvent=t),e._completeHide(o)}}static dataApiKeydownHandler(t){const e=/input|textarea/i.test(t.target.tagName),i="Escape"===t.key,n=[Oi,xi].includes(t.key);if(!n&&!i)return;if(e&&!i)return;t.preventDefault();const s=this.matches(Mi)?this:we.prev(this,Mi)[0]||we.next(this,Mi)[0]||we.findOne(Mi,t.delegateTarget.parentNode),o=Ki.getOrCreateInstance(s);if(n)return t.stopPropagation(),o.show(),void o._selectMenuItem(t);o._isShown()&&(t.stopPropagation(),o.hide(),s.focus())}}fe.on(document,Ii,Mi,Ki.dataApiKeydownHandler),fe.on(document,Ii,Fi,Ki.dataApiKeydownHandler),fe.on(document,$i,Ki.clearMenus),fe.on(document,Ni,Ki.clearMenus),fe.on(document,$i,Mi,(function(t){t.preventDefault(),Ki.getOrCreateInstance(this).toggle()})),Qt(Ki);const Qi="backdrop",Xi="show",Ui=`mousedown.bs.${Qi}`,Gi={className:"modal-backdrop",clickCallback:null,isAnimated:!1,isVisible:!0,rootElement:"body"},Ji={className:"string",clickCallback:"(function|null)",isAnimated:"boolean",isVisible:"boolean",rootElement:"(element|string)"};class Zi extends be{constructor(t){super(),this._config=this._getConfig(t),this._isAppended=!1,this._element=null}static get Default(){return Gi}static get DefaultType(){return Ji}static get NAME(){return Qi}show(t){if(!this._config.isVisible)return void Xt(t);this._append();const e=this._getElement();this._config.isAnimated&&qt(e),e.classList.add(Xi),this._emulateAnimation((()=>{Xt(t)}))}hide(t){this._config.isVisible?(this._getElement().classList.remove(Xi),this._emulateAnimation((()=>{this.dispose(),Xt(t)}))):Xt(t)}dispose(){this._isAppended&&(fe.off(this._element,Ui),this._element.remove(),this._isAppended=!1)}_getElement(){if(!this._element){const t=document.createElement("div");t.className=this._config.className,this._config.isAnimated&&t.classList.add("fade"),this._element=t}return this._element}_configAfterMerge(t){return t.rootElement=Ht(t.rootElement),t}_append(){if(this._isAppended)return;const t=this._getElement();this._config.rootElement.append(t),fe.on(t,Ui,(()=>{Xt(this._config.clickCallback)})),this._isAppended=!0}_emulateAnimation(t){Ut(t,this._getElement(),this._config.isAnimated)}}const tn=".bs.focustrap",en=`focusin${tn}`,nn=`keydown.tab${tn}`,sn="backward",on={autofocus:!0,trapElement:null},rn={autofocus:"boolean",trapElement:"element"};class an extends be{constructor(t){super(),this._config=this._getConfig(t),this._isActive=!1,this._lastTabNavDirection=null}static get Default(){return on}static get DefaultType(){return rn}static get NAME(){return"focustrap"}activate(){this._isActive||(this._config.autofocus&&this._config.trapElement.focus(),fe.off(document,tn),fe.on(document,en,(t=>this._handleFocusin(t))),fe.on(document,nn,(t=>this._handleKeydown(t))),this._isActive=!0)}deactivate(){this._isActive&&(this._isActive=!1,fe.off(document,tn))}_handleFocusin(t){const{trapElement:e}=this._config;if(t.target===document||t.target===e||e.contains(t.target))return;const i=we.focusableChildren(e);0===i.length?e.focus():this._lastTabNavDirection===sn?i[i.length-1].focus():i[0].focus()}_handleKeydown(t){"Tab"===t.key&&(this._lastTabNavDirection=t.shiftKey?sn:"forward")}}const ln=".fixed-top, .fixed-bottom, .is-fixed, .sticky-top",cn=".sticky-top",hn="padding-right",dn="margin-right";class un{constructor(){this._element=document.body}getWidth(){const t=document.documentElement.clientWidth;return Math.abs(window.innerWidth-t)}hide(){const t=this.getWidth();this._disableOverFlow(),this._setElementAttributes(this._element,hn,(e=>e+t)),this._setElementAttributes(ln,hn,(e=>e+t)),this._setElementAttributes(cn,dn,(e=>e-t))}reset(){this._resetElementAttributes(this._element,"overflow"),this._resetElementAttributes(this._element,hn),this._resetElementAttributes(ln,hn),this._resetElementAttributes(cn,dn)}isOverflowing(){return this.getWidth()>0}_disableOverFlow(){this._saveInitialAttribute(this._element,"overflow"),this._element.style.overflow="hidden"}_setElementAttributes(t,e,i){const n=this.getWidth();this._applyManipulationCallback(t,(t=>{if(t!==this._element&&window.innerWidth>t.clientWidth+n)return;this._saveInitialAttribute(t,e);const s=window.getComputedStyle(t).getPropertyValue(e);t.style.setProperty(e,`${i(Number.parseFloat(s))}px`)}))}_saveInitialAttribute(t,e){const i=t.style.getPropertyValue(e);i&&_e.setDataAttribute(t,e,i)}_resetElementAttributes(t,e){this._applyManipulationCallback(t,(t=>{const i=_e.getDataAttribute(t,e);null!==i?(_e.removeDataAttribute(t,e),t.style.setProperty(e,i)):t.style.removeProperty(e)}))}_applyManipulationCallback(t,e){if(Ft(t))e(t);else for(const i of we.find(t,this._element))e(i)}}const fn=".bs.modal",pn=`hide${fn}`,mn=`hidePrevented${fn}`,gn=`hidden${fn}`,_n=`show${fn}`,bn=`shown${fn}`,vn=`resize${fn}`,yn=`click.dismiss${fn}`,wn=`mousedown.dismiss${fn}`,En=`keydown.dismiss${fn}`,An=`click${fn}.data-api`,Tn="modal-open",Cn="show",On="modal-static",xn={backdrop:!0,focus:!0,keyboard:!0},kn={backdrop:"(boolean|string)",focus:"boolean",keyboard:"boolean"};class Ln extends ve{constructor(t,e){super(t,e),this._dialog=we.findOne(".modal-dialog",this._element),this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._isShown=!1,this._isTransitioning=!1,this._scrollBar=new un,this._addEventListeners()}static get Default(){return xn}static get DefaultType(){return kn}static get NAME(){return"modal"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||this._isTransitioning||fe.trigger(this._element,_n,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._isTransitioning=!0,this._scrollBar.hide(),document.body.classList.add(Tn),this._adjustDialog(),this._backdrop.show((()=>this._showElement(t))))}hide(){this._isShown&&!this._isTransitioning&&(fe.trigger(this._element,pn).defaultPrevented||(this._isShown=!1,this._isTransitioning=!0,this._focustrap.deactivate(),this._element.classList.remove(Cn),this._queueCallback((()=>this._hideModal()),this._element,this._isAnimated())))}dispose(){fe.off(window,fn),fe.off(this._dialog,fn),this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}handleUpdate(){this._adjustDialog()}_initializeBackDrop(){return new Zi({isVisible:Boolean(this._config.backdrop),isAnimated:this._isAnimated()})}_initializeFocusTrap(){return new an({trapElement:this._element})}_showElement(t){document.body.contains(this._element)||document.body.append(this._element),this._element.style.display="block",this._element.removeAttribute("aria-hidden"),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.scrollTop=0;const e=we.findOne(".modal-body",this._dialog);e&&(e.scrollTop=0),qt(this._element),this._element.classList.add(Cn),this._queueCallback((()=>{this._config.focus&&this._focustrap.activate(),this._isTransitioning=!1,fe.trigger(this._element,bn,{relatedTarget:t})}),this._dialog,this._isAnimated())}_addEventListeners(){fe.on(this._element,En,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():this._triggerBackdropTransition())})),fe.on(window,vn,(()=>{this._isShown&&!this._isTransitioning&&this._adjustDialog()})),fe.on(this._element,wn,(t=>{fe.one(this._element,yn,(e=>{this._element===t.target&&this._element===e.target&&("static"!==this._config.backdrop?this._config.backdrop&&this.hide():this._triggerBackdropTransition())}))}))}_hideModal(){this._element.style.display="none",this._element.setAttribute("aria-hidden",!0),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._isTransitioning=!1,this._backdrop.hide((()=>{document.body.classList.remove(Tn),this._resetAdjustments(),this._scrollBar.reset(),fe.trigger(this._element,gn)}))}_isAnimated(){return this._element.classList.contains("fade")}_triggerBackdropTransition(){if(fe.trigger(this._element,mn).defaultPrevented)return;const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._element.style.overflowY;"hidden"===e||this._element.classList.contains(On)||(t||(this._element.style.overflowY="hidden"),this._element.classList.add(On),this._queueCallback((()=>{this._element.classList.remove(On),this._queueCallback((()=>{this._element.style.overflowY=e}),this._dialog)}),this._dialog),this._element.focus())}_adjustDialog(){const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._scrollBar.getWidth(),i=e>0;if(i&&!t){const t=Kt()?"paddingLeft":"paddingRight";this._element.style[t]=`${e}px`}if(!i&&t){const t=Kt()?"paddingRight":"paddingLeft";this._element.style[t]=`${e}px`}}_resetAdjustments(){this._element.style.paddingLeft="",this._element.style.paddingRight=""}static jQueryInterface(t,e){return this.each((function(){const i=Ln.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named "${t}"`);i[t](e)}}))}}fe.on(document,An,'[data-bs-toggle="modal"]',(function(t){const e=we.getElementFromSelector(this);["A","AREA"].includes(this.tagName)&&t.preventDefault(),fe.one(e,_n,(t=>{t.defaultPrevented||fe.one(e,gn,(()=>{Bt(this)&&this.focus()}))}));const i=we.findOne(".modal.show");i&&Ln.getInstance(i).hide(),Ln.getOrCreateInstance(e).toggle(this)})),Ee(Ln),Qt(Ln);const Sn=".bs.offcanvas",Dn=".data-api",$n=`load${Sn}${Dn}`,In="show",Nn="showing",Pn="hiding",Mn=".offcanvas.show",jn=`show${Sn}`,Fn=`shown${Sn}`,Hn=`hide${Sn}`,Bn=`hidePrevented${Sn}`,Wn=`hidden${Sn}`,zn=`resize${Sn}`,Rn=`click${Sn}${Dn}`,qn=`keydown.dismiss${Sn}`,Vn={backdrop:!0,keyboard:!0,scroll:!1},Yn={backdrop:"(boolean|string)",keyboard:"boolean",scroll:"boolean"};class Kn extends ve{constructor(t,e){super(t,e),this._isShown=!1,this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._addEventListeners()}static get Default(){return Vn}static get DefaultType(){return Yn}static get NAME(){return"offcanvas"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||fe.trigger(this._element,jn,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._backdrop.show(),this._config.scroll||(new un).hide(),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.classList.add(Nn),this._queueCallback((()=>{this._config.scroll&&!this._config.backdrop||this._focustrap.activate(),this._element.classList.add(In),this._element.classList.remove(Nn),fe.trigger(this._element,Fn,{relatedTarget:t})}),this._element,!0))}hide(){this._isShown&&(fe.trigger(this._element,Hn).defaultPrevented||(this._focustrap.deactivate(),this._element.blur(),this._isShown=!1,this._element.classList.add(Pn),this._backdrop.hide(),this._queueCallback((()=>{this._element.classList.remove(In,Pn),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._config.scroll||(new un).reset(),fe.trigger(this._element,Wn)}),this._element,!0)))}dispose(){this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}_initializeBackDrop(){const t=Boolean(this._config.backdrop);return new Zi({className:"offcanvas-backdrop",isVisible:t,isAnimated:!0,rootElement:this._element.parentNode,clickCallback:t?()=>{"static"!==this._config.backdrop?this.hide():fe.trigger(this._element,Bn)}:null})}_initializeFocusTrap(){return new an({trapElement:this._element})}_addEventListeners(){fe.on(this._element,qn,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():fe.trigger(this._element,Bn))}))}static jQueryInterface(t){return this.each((function(){const e=Kn.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t](this)}}))}}fe.on(document,Rn,'[data-bs-toggle="offcanvas"]',(function(t){const e=we.getElementFromSelector(this);if(["A","AREA"].includes(this.tagName)&&t.preventDefault(),Wt(this))return;fe.one(e,Wn,(()=>{Bt(this)&&this.focus()}));const i=we.findOne(Mn);i&&i!==e&&Kn.getInstance(i).hide(),Kn.getOrCreateInstance(e).toggle(this)})),fe.on(window,$n,(()=>{for(const t of we.find(Mn))Kn.getOrCreateInstance(t).show()})),fe.on(window,zn,(()=>{for(const t of we.find("[aria-modal][class*=show][class*=offcanvas-]"))"fixed"!==getComputedStyle(t).position&&Kn.getOrCreateInstance(t).hide()})),Ee(Kn),Qt(Kn);const Qn={"*":["class","dir","id","lang","role",/^aria-[\w-]*$/i],a:["target","href","title","rel"],area:[],b:[],br:[],col:[],code:[],dd:[],div:[],dl:[],dt:[],em:[],hr:[],h1:[],h2:[],h3:[],h4:[],h5:[],h6:[],i:[],img:["src","srcset","alt","title","width","height"],li:[],ol:[],p:[],pre:[],s:[],small:[],span:[],sub:[],sup:[],strong:[],u:[],ul:[]},Xn=new Set(["background","cite","href","itemtype","longdesc","poster","src","xlink:href"]),Un=/^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i,Gn=(t,e)=>{const i=t.nodeName.toLowerCase();return e.includes(i)?!Xn.has(i)||Boolean(Un.test(t.nodeValue)):e.filter((t=>t instanceof RegExp)).some((t=>t.test(i)))},Jn={allowList:Qn,content:{},extraClass:"",html:!1,sanitize:!0,sanitizeFn:null,template:"<div></div>"},Zn={allowList:"object",content:"object",extraClass:"(string|function)",html:"boolean",sanitize:"boolean",sanitizeFn:"(null|function)",template:"string"},ts={entry:"(string|element|function|null)",selector:"(string|element)"};class es extends be{constructor(t){super(),this._config=this._getConfig(t)}static get Default(){return Jn}static get DefaultType(){return Zn}static get NAME(){return"TemplateFactory"}getContent(){return Object.values(this._config.content).map((t=>this._resolvePossibleFunction(t))).filter(Boolean)}hasContent(){return this.getContent().length>0}changeContent(t){return this._checkContent(t),this._config.content={...this._config.content,...t},this}toHtml(){const t=document.createElement("div");t.innerHTML=this._maybeSanitize(this._config.template);for(const[e,i]of Object.entries(this._config.content))this._setContent(t,i,e);const e=t.children[0],i=this._resolvePossibleFunction(this._config.extraClass);return i&&e.classList.add(...i.split(" ")),e}_typeCheckConfig(t){super._typeCheckConfig(t),this._checkContent(t.content)}_checkContent(t){for(const[e,i]of Object.entries(t))super._typeCheckConfig({selector:e,entry:i},ts)}_setContent(t,e,i){const n=we.findOne(i,t);n&&((e=this._resolvePossibleFunction(e))?Ft(e)?this._putElementInTemplate(Ht(e),n):this._config.html?n.innerHTML=this._maybeSanitize(e):n.textContent=e:n.remove())}_maybeSanitize(t){return this._config.sanitize?function(t,e,i){if(!t.length)return t;if(i&&"function"==typeof i)return i(t);const n=(new window.DOMParser).parseFromString(t,"text/html"),s=[].concat(...n.body.querySelectorAll("*"));for(const t of s){const i=t.nodeName.toLowerCase();if(!Object.keys(e).includes(i)){t.remove();continue}const n=[].concat(...t.attributes),s=[].concat(e["*"]||[],e[i]||[]);for(const e of n)Gn(e,s)||t.removeAttribute(e.nodeName)}return n.body.innerHTML}(t,this._config.allowList,this._config.sanitizeFn):t}_resolvePossibleFunction(t){return Xt(t,[this])}_putElementInTemplate(t,e){if(this._config.html)return e.innerHTML="",void e.append(t);e.textContent=t.textContent}}const is=new Set(["sanitize","allowList","sanitizeFn"]),ns="fade",ss="show",os=".tooltip-inner",rs=".modal",as="hide.bs.modal",ls="hover",cs="focus",hs={AUTO:"auto",TOP:"top",RIGHT:Kt()?"left":"right",BOTTOM:"bottom",LEFT:Kt()?"right":"left"},ds={allowList:Qn,animation:!0,boundary:"clippingParents",container:!1,customClass:"",delay:0,fallbackPlacements:["top","right","bottom","left"],html:!1,offset:[0,6],placement:"top",popperConfig:null,sanitize:!0,sanitizeFn:null,selector:!1,template:'<div class="tooltip" role="tooltip"><div class="tooltip-arrow"></div><div class="tooltip-inner"></div></div>',title:"",trigger:"hover focus"},us={allowList:"object",animation:"boolean",boundary:"(string|element)",container:"(string|element|boolean)",customClass:"(string|function)",delay:"(number|object)",fallbackPlacements:"array",html:"boolean",offset:"(array|string|function)",placement:"(string|function)",popperConfig:"(null|object|function)",sanitize:"boolean",sanitizeFn:"(null|function)",selector:"(string|boolean)",template:"string",title:"(string|element|function)",trigger:"string"};class fs extends ve{constructor(t,i){if(void 0===e)throw new TypeError("Bootstrap's tooltips require Popper (https://popper.js.org)");super(t,i),this._isEnabled=!0,this._timeout=0,this._isHovered=null,this._activeTrigger={},this._popper=null,this._templateFactory=null,this._newContent=null,this.tip=null,this._setListeners(),this._config.selector||this._fixTitle()}static get Default(){return ds}static get DefaultType(){return us}static get NAME(){return"tooltip"}enable(){this._isEnabled=!0}disable(){this._isEnabled=!1}toggleEnabled(){this._isEnabled=!this._isEnabled}toggle(){this._isEnabled&&(this._activeTrigger.click=!this._activeTrigger.click,this._isShown()?this._leave():this._enter())}dispose(){clearTimeout(this._timeout),fe.off(this._element.closest(rs),as,this._hideModalHandler),this._element.getAttribute("data-bs-original-title")&&this._element.setAttribute("title",this._element.getAttribute("data-bs-original-title")),this._disposePopper(),super.dispose()}show(){if("none"===this._element.style.display)throw new Error("Please use show on visible elements");if(!this._isWithContent()||!this._isEnabled)return;const t=fe.trigger(this._element,this.constructor.eventName("show")),e=(zt(this._element)||this._element.ownerDocument.documentElement).contains(this._element);if(t.defaultPrevented||!e)return;this._disposePopper();const i=this._getTipElement();this._element.setAttribute("aria-describedby",i.getAttribute("id"));const{container:n}=this._config;if(this._element.ownerDocument.documentElement.contains(this.tip)||(n.append(i),fe.trigger(this._element,this.constructor.eventName("inserted"))),this._popper=this._createPopper(i),i.classList.add(ss),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._queueCallback((()=>{fe.trigger(this._element,this.constructor.eventName("shown")),!1===this._isHovered&&this._leave(),this._isHovered=!1}),this.tip,this._isAnimated())}hide(){if(this._isShown()&&!fe.trigger(this._element,this.constructor.eventName("hide")).defaultPrevented){if(this._getTipElement().classList.remove(ss),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._activeTrigger.click=!1,this._activeTrigger[cs]=!1,this._activeTrigger[ls]=!1,this._isHovered=null,this._queueCallback((()=>{this._isWithActiveTrigger()||(this._isHovered||this._disposePopper(),this._element.removeAttribute("aria-describedby"),fe.trigger(this._element,this.constructor.eventName("hidden")))}),this.tip,this._isAnimated())}}update(){this._popper&&this._popper.update()}_isWithContent(){return Boolean(this._getTitle())}_getTipElement(){return this.tip||(this.tip=this._createTipElement(this._newContent||this._getContentForTemplate())),this.tip}_createTipElement(t){const e=this._getTemplateFactory(t).toHtml();if(!e)return null;e.classList.remove(ns,ss),e.classList.add(`bs-${this.constructor.NAME}-auto`);const i=(t=>{do{t+=Math.floor(1e6*Math.random())}while(document.getElementById(t));return t})(this.constructor.NAME).toString();return e.setAttribute("id",i),this._isAnimated()&&e.classList.add(ns),e}setContent(t){this._newContent=t,this._isShown()&&(this._disposePopper(),this.show())}_getTemplateFactory(t){return this._templateFactory?this._templateFactory.changeContent(t):this._templateFactory=new es({...this._config,content:t,extraClass:this._resolvePossibleFunction(this._config.customClass)}),this._templateFactory}_getContentForTemplate(){return{[os]:this._getTitle()}}_getTitle(){return this._resolvePossibleFunction(this._config.title)||this._element.getAttribute("data-bs-original-title")}_initializeOnDelegatedTarget(t){return this.constructor.getOrCreateInstance(t.delegateTarget,this._getDelegateConfig())}_isAnimated(){return this._config.animation||this.tip&&this.tip.classList.contains(ns)}_isShown(){return this.tip&&this.tip.classList.contains(ss)}_createPopper(t){const e=Xt(this._config.placement,[this,t,this._element]),i=hs[e.toUpperCase()];return Dt(this._element,t,this._getPopperConfig(i))}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_resolvePossibleFunction(t){return Xt(t,[this._element])}_getPopperConfig(t){const e={placement:t,modifiers:[{name:"flip",options:{fallbackPlacements:this._config.fallbackPlacements}},{name:"offset",options:{offset:this._getOffset()}},{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"arrow",options:{element:`.${this.constructor.NAME}-arrow`}},{name:"preSetPlacement",enabled:!0,phase:"beforeMain",fn:t=>{this._getTipElement().setAttribute("data-popper-placement",t.state.placement)}}]};return{...e,...Xt(this._config.popperConfig,[e])}}_setListeners(){const t=this._config.trigger.split(" ");for(const e of t)if("click"===e)fe.on(this._element,this.constructor.eventName("click"),this._config.selector,(t=>{this._initializeOnDelegatedTarget(t).toggle()}));else if("manual"!==e){const t=e===ls?this.constructor.eventName("mouseenter"):this.constructor.eventName("focusin"),i=e===ls?this.constructor.eventName("mouseleave"):this.constructor.eventName("focusout");fe.on(this._element,t,this._config.selector,(t=>{const e=this._initializeOnDelegatedTarget(t);e._activeTrigger["focusin"===t.type?cs:ls]=!0,e._enter()})),fe.on(this._element,i,this._config.selector,(t=>{const e=this._initializeOnDelegatedTarget(t);e._activeTrigger["focusout"===t.type?cs:ls]=e._element.contains(t.relatedTarget),e._leave()}))}this._hideModalHandler=()=>{this._element&&this.hide()},fe.on(this._element.closest(rs),as,this._hideModalHandler)}_fixTitle(){const t=this._element.getAttribute("title");t&&(this._element.getAttribute("aria-label")||this._element.textContent.trim()||this._element.setAttribute("aria-label",t),this._element.setAttribute("data-bs-original-title",t),this._element.removeAttribute("title"))}_enter(){this._isShown()||this._isHovered?this._isHovered=!0:(this._isHovered=!0,this._setTimeout((()=>{this._isHovered&&this.show()}),this._config.delay.show))}_leave(){this._isWithActiveTrigger()||(this._isHovered=!1,this._setTimeout((()=>{this._isHovered||this.hide()}),this._config.delay.hide))}_setTimeout(t,e){clearTimeout(this._timeout),this._timeout=setTimeout(t,e)}_isWithActiveTrigger(){return Object.values(this._activeTrigger).includes(!0)}_getConfig(t){const e=_e.getDataAttributes(this._element);for(const t of Object.keys(e))is.has(t)&&delete e[t];return t={...e,..."object"==typeof t&&t?t:{}},t=this._mergeConfigObj(t),t=this._configAfterMerge(t),this._typeCheckConfig(t),t}_configAfterMerge(t){return t.container=!1===t.container?document.body:Ht(t.container),"number"==typeof t.delay&&(t.delay={show:t.delay,hide:t.delay}),"number"==typeof t.title&&(t.title=t.title.toString()),"number"==typeof t.content&&(t.content=t.content.toString()),t}_getDelegateConfig(){const t={};for(const[e,i]of Object.entries(this._config))this.constructor.Default[e]!==i&&(t[e]=i);return t.selector=!1,t.trigger="manual",t}_disposePopper(){this._popper&&(this._popper.destroy(),this._popper=null),this.tip&&(this.tip.remove(),this.tip=null)}static jQueryInterface(t){return this.each((function(){const e=fs.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}}Qt(fs);const ps=".popover-header",ms=".popover-body",gs={...fs.Default,content:"",offset:[0,8],placement:"right",template:'<div class="popover" role="tooltip"><div class="popover-arrow"></div><h3 class="popover-header"></h3><div class="popover-body"></div></div>',trigger:"click"},_s={...fs.DefaultType,content:"(null|string|element|function)"};class bs extends fs{static get Default(){return gs}static get DefaultType(){return _s}static get NAME(){return"popover"}_isWithContent(){return this._getTitle()||this._getContent()}_getContentForTemplate(){return{[ps]:this._getTitle(),[ms]:this._getContent()}}_getContent(){return this._resolvePossibleFunction(this._config.content)}static jQueryInterface(t){return this.each((function(){const e=bs.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}}Qt(bs);const vs=".bs.scrollspy",ys=`activate${vs}`,ws=`click${vs}`,Es=`load${vs}.data-api`,As="active",Ts="[href]",Cs=".nav-link",Os=`${Cs}, .nav-item > ${Cs}, .list-group-item`,xs={offset:null,rootMargin:"0px 0px -25%",smoothScroll:!1,target:null,threshold:[.1,.5,1]},ks={offset:"(number|null)",rootMargin:"string",smoothScroll:"boolean",target:"element",threshold:"array"};class Ls extends ve{constructor(t,e){super(t,e),this._targetLinks=new Map,this._observableSections=new Map,this._rootElement="visible"===getComputedStyle(this._element).overflowY?null:this._element,this._activeTarget=null,this._observer=null,this._previousScrollData={visibleEntryTop:0,parentScrollTop:0},this.refresh()}static get Default(){return xs}static get DefaultType(){return ks}static get NAME(){return"scrollspy"}refresh(){this._initializeTargetsAndObservables(),this._maybeEnableSmoothScroll(),this._observer?this._observer.disconnect():this._observer=this._getNewObserver();for(const t of this._observableSections.values())this._observer.observe(t)}dispose(){this._observer.disconnect(),super.dispose()}_configAfterMerge(t){return t.target=Ht(t.target)||document.body,t.rootMargin=t.offset?`${t.offset}px 0px -30%`:t.rootMargin,"string"==typeof t.threshold&&(t.threshold=t.threshold.split(",").map((t=>Number.parseFloat(t)))),t}_maybeEnableSmoothScroll(){this._config.smoothScroll&&(fe.off(this._config.target,ws),fe.on(this._config.target,ws,Ts,(t=>{const e=this._observableSections.get(t.target.hash);if(e){t.preventDefault();const i=this._rootElement||window,n=e.offsetTop-this._element.offsetTop;if(i.scrollTo)return void i.scrollTo({top:n,behavior:"smooth"});i.scrollTop=n}})))}_getNewObserver(){const t={root:this._rootElement,threshold:this._config.threshold,rootMargin:this._config.rootMargin};return new IntersectionObserver((t=>this._observerCallback(t)),t)}_observerCallback(t){const e=t=>this._targetLinks.get(`#${t.target.id}`),i=t=>{this._previousScrollData.visibleEntryTop=t.target.offsetTop,this._process(e(t))},n=(this._rootElement||document.documentElement).scrollTop,s=n>=this._previousScrollData.parentScrollTop;this._previousScrollData.parentScrollTop=n;for(const o of t){if(!o.isIntersecting){this._activeTarget=null,this._clearActiveClass(e(o));continue}const t=o.target.offsetTop>=this._previousScrollData.visibleEntryTop;if(s&&t){if(i(o),!n)return}else s||t||i(o)}}_initializeTargetsAndObservables(){this._targetLinks=new Map,this._observableSections=new Map;const t=we.find(Ts,this._config.target);for(const e of t){if(!e.hash||Wt(e))continue;const t=we.findOne(decodeURI(e.hash),this._element);Bt(t)&&(this._targetLinks.set(decodeURI(e.hash),e),this._observableSections.set(e.hash,t))}}_process(t){this._activeTarget!==t&&(this._clearActiveClass(this._config.target),this._activeTarget=t,t.classList.add(As),this._activateParents(t),fe.trigger(this._element,ys,{relatedTarget:t}))}_activateParents(t){if(t.classList.contains("dropdown-item"))we.findOne(".dropdown-toggle",t.closest(".dropdown")).classList.add(As);else for(const e of we.parents(t,".nav, .list-group"))for(const t of we.prev(e,Os))t.classList.add(As)}_clearActiveClass(t){t.classList.remove(As);const e=we.find(`${Ts}.${As}`,t);for(const t of e)t.classList.remove(As)}static jQueryInterface(t){return this.each((function(){const e=Ls.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t]()}}))}}fe.on(window,Es,(()=>{for(const t of we.find('[data-bs-spy="scroll"]'))Ls.getOrCreateInstance(t)})),Qt(Ls);const Ss=".bs.tab",Ds=`hide${Ss}`,$s=`hidden${Ss}`,Is=`show${Ss}`,Ns=`shown${Ss}`,Ps=`click${Ss}`,Ms=`keydown${Ss}`,js=`load${Ss}`,Fs="ArrowLeft",Hs="ArrowRight",Bs="ArrowUp",Ws="ArrowDown",zs="Home",Rs="End",qs="active",Vs="fade",Ys="show",Ks=".dropdown-toggle",Qs=`:not(${Ks})`,Xs='[data-bs-toggle="tab"], [data-bs-toggle="pill"], [data-bs-toggle="list"]',Us=`.nav-link${Qs}, .list-group-item${Qs}, [role="tab"]${Qs}, ${Xs}`,Gs=`.${qs}[data-bs-toggle="tab"], .${qs}[data-bs-toggle="pill"], .${qs}[data-bs-toggle="list"]`;class Js extends ve{constructor(t){super(t),this._parent=this._element.closest('.list-group, .nav, [role="tablist"]'),this._parent&&(this._setInitialAttributes(this._parent,this._getChildren()),fe.on(this._element,Ms,(t=>this._keydown(t))))}static get NAME(){return"tab"}show(){const t=this._element;if(this._elemIsActive(t))return;const e=this._getActiveElem(),i=e?fe.trigger(e,Ds,{relatedTarget:t}):null;fe.trigger(t,Is,{relatedTarget:e}).defaultPrevented||i&&i.defaultPrevented||(this._deactivate(e,t),this._activate(t,e))}_activate(t,e){t&&(t.classList.add(qs),this._activate(we.getElementFromSelector(t)),this._queueCallback((()=>{"tab"===t.getAttribute("role")?(t.removeAttribute("tabindex"),t.setAttribute("aria-selected",!0),this._toggleDropDown(t,!0),fe.trigger(t,Ns,{relatedTarget:e})):t.classList.add(Ys)}),t,t.classList.contains(Vs)))}_deactivate(t,e){t&&(t.classList.remove(qs),t.blur(),this._deactivate(we.getElementFromSelector(t)),this._queueCallback((()=>{"tab"===t.getAttribute("role")?(t.setAttribute("aria-selected",!1),t.setAttribute("tabindex","-1"),this._toggleDropDown(t,!1),fe.trigger(t,$s,{relatedTarget:e})):t.classList.remove(Ys)}),t,t.classList.contains(Vs)))}_keydown(t){if(![Fs,Hs,Bs,Ws,zs,Rs].includes(t.key))return;t.stopPropagation(),t.preventDefault();const e=this._getChildren().filter((t=>!Wt(t)));let i;if([zs,Rs].includes(t.key))i=e[t.key===zs?0:e.length-1];else{const n=[Hs,Ws].includes(t.key);i=Gt(e,t.target,n,!0)}i&&(i.focus({preventScroll:!0}),Js.getOrCreateInstance(i).show())}_getChildren(){return we.find(Us,this._parent)}_getActiveElem(){return this._getChildren().find((t=>this._elemIsActive(t)))||null}_setInitialAttributes(t,e){this._setAttributeIfNotExists(t,"role","tablist");for(const t of e)this._setInitialAttributesOnChild(t)}_setInitialAttributesOnChild(t){t=this._getInnerElement(t);const e=this._elemIsActive(t),i=this._getOuterElement(t);t.setAttribute("aria-selected",e),i!==t&&this._setAttributeIfNotExists(i,"role","presentation"),e||t.setAttribute("tabindex","-1"),this._setAttributeIfNotExists(t,"role","tab"),this._setInitialAttributesOnTargetPanel(t)}_setInitialAttributesOnTargetPanel(t){const e=we.getElementFromSelector(t);e&&(this._setAttributeIfNotExists(e,"role","tabpanel"),t.id&&this._setAttributeIfNotExists(e,"aria-labelledby",`${t.id}`))}_toggleDropDown(t,e){const i=this._getOuterElement(t);if(!i.classList.contains("dropdown"))return;const n=(t,n)=>{const s=we.findOne(t,i);s&&s.classList.toggle(n,e)};n(Ks,qs),n(".dropdown-menu",Ys),i.setAttribute("aria-expanded",e)}_setAttributeIfNotExists(t,e,i){t.hasAttribute(e)||t.setAttribute(e,i)}_elemIsActive(t){return t.classList.contains(qs)}_getInnerElement(t){return t.matches(Us)?t:we.findOne(Us,t)}_getOuterElement(t){return t.closest(".nav-item, .list-group-item")||t}static jQueryInterface(t){return this.each((function(){const e=Js.getOrCreateInstance(this);if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t]()}}))}}fe.on(document,Ps,Xs,(function(t){["A","AREA"].includes(this.tagName)&&t.preventDefault(),Wt(this)||Js.getOrCreateInstance(this).show()})),fe.on(window,js,(()=>{for(const t of we.find(Gs))Js.getOrCreateInstance(t)})),Qt(Js);const Zs=".bs.toast",to=`mouseover${Zs}`,eo=`mouseout${Zs}`,io=`focusin${Zs}`,no=`focusout${Zs}`,so=`hide${Zs}`,oo=`hidden${Zs}`,ro=`show${Zs}`,ao=`shown${Zs}`,lo="hide",co="show",ho="showing",uo={animation:"boolean",autohide:"boolean",delay:"number"},fo={animation:!0,autohide:!0,delay:5e3};class po extends ve{constructor(t,e){super(t,e),this._timeout=null,this._hasMouseInteraction=!1,this._hasKeyboardInteraction=!1,this._setListeners()}static get Default(){return fo}static get DefaultType(){return uo}static get NAME(){return"toast"}show(){fe.trigger(this._element,ro).defaultPrevented||(this._clearTimeout(),this._config.animation&&this._element.classList.add("fade"),this._element.classList.remove(lo),qt(this._element),this._element.classList.add(co,ho),this._queueCallback((()=>{this._element.classList.remove(ho),fe.trigger(this._element,ao),this._maybeScheduleHide()}),this._element,this._config.animation))}hide(){this.isShown()&&(fe.trigger(this._element,so).defaultPrevented||(this._element.classList.add(ho),this._queueCallback((()=>{this._element.classList.add(lo),this._element.classList.remove(ho,co),fe.trigger(this._element,oo)}),this._element,this._config.animation)))}dispose(){this._clearTimeout(),this.isShown()&&this._element.classList.remove(co),super.dispose()}isShown(){return this._element.classList.contains(co)}_maybeScheduleHide(){this._config.autohide&&(this._hasMouseInteraction||this._hasKeyboardInteraction||(this._timeout=setTimeout((()=>{this.hide()}),this._config.delay)))}_onInteraction(t,e){switch(t.type){case"mouseover":case"mouseout":this._hasMouseInteraction=e;break;case"focusin":case"focusout":this._hasKeyboardInteraction=e}if(e)return void this._clearTimeout();const i=t.relatedTarget;this._element===i||this._element.contains(i)||this._maybeScheduleHide()}_setListeners(){fe.on(this._element,to,(t=>this._onInteraction(t,!0))),fe.on(this._element,eo,(t=>this._onInteraction(t,!1))),fe.on(this._element,io,(t=>this._onInteraction(t,!0))),fe.on(this._element,no,(t=>this._onInteraction(t,!1)))}_clearTimeout(){clearTimeout(this._timeout),this._timeout=null}static jQueryInterface(t){return this.each((function(){const e=po.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t](this)}}))}}function mo(t){"loading"!=document.readyState?t():document.addEventListener("DOMContentLoaded",t)}Ee(po),Qt(po),mo((function(){[].slice.call(document.querySelectorAll('[data-bs-toggle="tooltip"]')).map((function(t){return new fs(t,{delay:{show:500,hide:100}})}))})),mo((function(){document.getElementById("pst-back-to-top").addEventListener("click",(function(){document.body.scrollTop=0,document.documentElement.scrollTop=0}))})),mo((function(){var t=document.getElementById("pst-back-to-top"),e=document.getElementsByClassName("bd-header")[0].getBoundingClientRect();window.addEventListener("scroll",(function(){this.oldScroll>this.scrollY&&this.scrollY>e.bottom?t.style.display="block":t.style.display="none",this.oldScroll=this.scrollY}))})),window.bootstrap=i})();
 //# sourceMappingURL=bootstrap.js.map
\ No newline at end of file
diff --git a/_static/scripts/bootstrap.js.LICENSE.txt b/_static/scripts/bootstrap.js.LICENSE.txt
index 10f979d07..28755c2c5 100644
--- a/_static/scripts/bootstrap.js.LICENSE.txt
+++ b/_static/scripts/bootstrap.js.LICENSE.txt
@@ -1,5 +1,5 @@
 /*!
-  * Bootstrap v5.3.2 (https://getbootstrap.com/)
-  * Copyright 2011-2023 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors)
+  * Bootstrap v5.3.3 (https://getbootstrap.com/)
+  * Copyright 2011-2024 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors)
   * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)
   */
diff --git a/_static/scripts/bootstrap.js.map b/_static/scripts/bootstrap.js.map
index 64e212b1e..e9e815891 100644
--- a/_static/scripts/bootstrap.js.map
+++ b/_static/scripts/bootstrap.js.map
@@ -1 +1 @@
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(element.nodeName || '').toLowerCase() : null;\n}","export default function getWindow(node) {\n  if (node == null) {\n    return window;\n  }\n\n  if (node.toString() !== '[object Window]') {\n    var ownerDocument = node.ownerDocument;\n    return ownerDocument ? ownerDocument.defaultView || window : window;\n  }\n\n  return node;\n}","import getWindow from \"./getWindow.js\";\n\nfunction isElement(node) {\n  var OwnElement = getWindow(node).Element;\n  return node instanceof OwnElement || node instanceof Element;\n}\n\nfunction isHTMLElement(node) {\n  var OwnElement = getWindow(node).HTMLElement;\n  return node instanceof OwnElement || node instanceof HTMLElement;\n}\n\nfunction isShadowRoot(node) {\n  // IE 11 has no ShadowRoot\n  if (typeof ShadowRoot === 'undefined') {\n    return false;\n  }\n\n  var OwnElement = getWindow(node).ShadowRoot;\n  return node instanceof OwnElement || node instanceof ShadowRoot;\n}\n\nexport { isElement, isHTMLElement, isShadowRoot };","import getNodeName from \"../dom-utils/getNodeName.js\";\nimport { isHTMLElement } from \"../dom-utils/instanceOf.js\"; // This modifier takes the styles prepared by the `computeStyles` modifier\n// and applies them to the HTMLElements such as popper and arrow\n\nfunction applyStyles(_ref) {\n  var state = _ref.state;\n  Object.keys(state.elements).forEach(function (name) {\n    var style = state.styles[name] || {};\n    var attributes = state.attributes[name] || {};\n    var element = state.elements[name]; // arrow is optional + virtual elements\n\n    if (!isHTMLElement(element) || !getNodeName(element)) {\n      return;\n    } // Flow doesn't support to extend this property, but it's the most\n    // effective way to apply styles to an HTMLElement\n    // $FlowFixMe[cannot-write]\n\n\n    Object.assign(element.style, style);\n    Object.keys(attributes).forEach(function (name) {\n      var value = attributes[name];\n\n      if (value === false) {\n        element.removeAttribute(name);\n      } else {\n        element.setAttribute(name, value === true ? '' : value);\n      }\n    });\n  });\n}\n\nfunction effect(_ref2) {\n  var state = _ref2.state;\n  var initialStyles = {\n    popper: {\n      position: state.options.strategy,\n      left: '0',\n      top: '0',\n      margin: '0'\n    },\n    arrow: {\n      position: 'absolute'\n    },\n    reference: {}\n  };\n  Object.assign(state.elements.popper.style, initialStyles.popper);\n  state.styles = initialStyles;\n\n  if (state.elements.arrow) {\n    Object.assign(state.elements.arrow.style, initialStyles.arrow);\n  }\n\n  return function () {\n    Object.keys(state.elements).forEach(function (name) {\n      var element = state.elements[name];\n      var attributes = state.attributes[name] || {};\n      var styleProperties = Object.keys(state.styles.hasOwnProperty(name) ? state.styles[name] : initialStyles[name]); // Set all values to an empty string to unset them\n\n      var style = styleProperties.reduce(function (style, property) {\n        style[property] = '';\n        return style;\n      }, {}); // arrow is optional + virtual elements\n\n      if (!isHTMLElement(element) || !getNodeName(element)) {\n        return;\n      }\n\n      Object.assign(element.style, style);\n      Object.keys(attributes).forEach(function (attribute) {\n        element.removeAttribute(attribute);\n      });\n    });\n  };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'applyStyles',\n  enabled: true,\n  phase: 'write',\n  fn: applyStyles,\n  effect: effect,\n  requires: ['computeStyles']\n};","import { auto } from \"../enums.js\";\nexport default function getBasePlacement(placement) {\n  return placement.split('-')[0];\n}","export var max = Math.max;\nexport var min = Math.min;\nexport var round = Math.round;","export default function getUAString() {\n  var uaData = navigator.userAgentData;\n\n  if (uaData != null && uaData.brands && Array.isArray(uaData.brands)) {\n    return uaData.brands.map(function (item) {\n      return item.brand + \"/\" + item.version;\n    }).join(' ');\n  }\n\n  return navigator.userAgent;\n}","import getUAString from \"../utils/userAgent.js\";\nexport default function isLayoutViewport() {\n  return !/^((?!chrome|android).)*safari/i.test(getUAString());\n}","import { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport { round } from \"../utils/math.js\";\nimport getWindow from \"./getWindow.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getBoundingClientRect(element, includeScale, isFixedStrategy) {\n  if (includeScale === void 0) {\n    includeScale = false;\n  }\n\n  if (isFixedStrategy === void 0) {\n    isFixedStrategy = false;\n  }\n\n  var clientRect = element.getBoundingClientRect();\n  var scaleX = 1;\n  var scaleY = 1;\n\n  if (includeScale && isHTMLElement(element)) {\n    scaleX = element.offsetWidth > 0 ? round(clientRect.width) / element.offsetWidth || 1 : 1;\n    scaleY = element.offsetHeight > 0 ? round(clientRect.height) / element.offsetHeight || 1 : 1;\n  }\n\n  var _ref = isElement(element) ? getWindow(element) : window,\n      visualViewport = _ref.visualViewport;\n\n  var addVisualOffsets = !isLayoutViewport() && isFixedStrategy;\n  var x = (clientRect.left + (addVisualOffsets && visualViewport ? visualViewport.offsetLeft : 0)) / scaleX;\n  var y = (clientRect.top + (addVisualOffsets && visualViewport ? visualViewport.offsetTop : 0)) / scaleY;\n  var width = clientRect.width / scaleX;\n  var height = clientRect.height / scaleY;\n  return {\n    width: width,\n    height: height,\n    top: y,\n    right: x + width,\n    bottom: y + height,\n    left: x,\n    x: x,\n    y: y\n  };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\"; // Returns the layout rect of an element relative to its offsetParent. Layout\n// means it doesn't take into account transforms.\n\nexport default function getLayoutRect(element) {\n  var clientRect = getBoundingClientRect(element); // Use the clientRect sizes if it's not been transformed.\n  // Fixes https://github.com/popperjs/popper-core/issues/1223\n\n  var width = element.offsetWidth;\n  var height = element.offsetHeight;\n\n  if (Math.abs(clientRect.width - width) <= 1) {\n    width = clientRect.width;\n  }\n\n  if (Math.abs(clientRect.height - height) <= 1) {\n    height = clientRect.height;\n  }\n\n  return {\n    x: element.offsetLeft,\n    y: element.offsetTop,\n    width: width,\n    height: height\n  };\n}","import { isShadowRoot } from \"./instanceOf.js\";\nexport default function contains(parent, child) {\n  var rootNode = child.getRootNode && child.getRootNode(); // First, attempt with faster native method\n\n  if (parent.contains(child)) {\n    return true;\n  } // then fallback to custom implementation with Shadow DOM support\n  else if (rootNode && isShadowRoot(rootNode)) {\n      var next = child;\n\n      do {\n        if (next && parent.isSameNode(next)) {\n          return true;\n        } // $FlowFixMe[prop-missing]: need a better way to handle this...\n\n\n        next = next.parentNode || next.host;\n      } while (next);\n    } // Give up, the result is false\n\n\n  return false;\n}","import getWindow from \"./getWindow.js\";\nexport default function getComputedStyle(element) {\n  return getWindow(element).getComputedStyle(element);\n}","import getNodeName from \"./getNodeName.js\";\nexport default function isTableElement(element) {\n  return ['table', 'td', 'th'].indexOf(getNodeName(element)) >= 0;\n}","import { isElement } from \"./instanceOf.js\";\nexport default function getDocumentElement(element) {\n  // $FlowFixMe[incompatible-return]: assume body is always available\n  return ((isElement(element) ? element.ownerDocument : // $FlowFixMe[prop-missing]\n  element.document) || window.document).documentElement;\n}","import getNodeName from \"./getNodeName.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport { isShadowRoot } from \"./instanceOf.js\";\nexport default function getParentNode(element) {\n  if (getNodeName(element) === 'html') {\n    return element;\n  }\n\n  return (// this is a quicker (but less type safe) way to save quite some bytes from the bundle\n    // $FlowFixMe[incompatible-return]\n    // $FlowFixMe[prop-missing]\n    element.assignedSlot || // step into the shadow DOM of the parent of a slotted node\n    element.parentNode || ( // DOM Element detected\n    isShadowRoot(element) ? element.host : null) || // ShadowRoot detected\n    // $FlowFixMe[incompatible-call]: HTMLElement is a Node\n    getDocumentElement(element) // fallback\n\n  );\n}","import getWindow from \"./getWindow.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isHTMLElement, isShadowRoot } from \"./instanceOf.js\";\nimport isTableElement from \"./isTableElement.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getUAString from \"../utils/userAgent.js\";\n\nfunction getTrueOffsetParent(element) {\n  if (!isHTMLElement(element) || // https://github.com/popperjs/popper-core/issues/837\n  getComputedStyle(element).position === 'fixed') {\n    return null;\n  }\n\n  return element.offsetParent;\n} // `.offsetParent` reports `null` for fixed elements, while absolute elements\n// return the containing block\n\n\nfunction getContainingBlock(element) {\n  var isFirefox = /firefox/i.test(getUAString());\n  var isIE = /Trident/i.test(getUAString());\n\n  if (isIE && isHTMLElement(element)) {\n    // In IE 9, 10 and 11 fixed elements containing block is always established by the viewport\n    var elementCss = getComputedStyle(element);\n\n    if (elementCss.position === 'fixed') {\n      return null;\n    }\n  }\n\n  var currentNode = getParentNode(element);\n\n  if (isShadowRoot(currentNode)) {\n    currentNode = currentNode.host;\n  }\n\n  while (isHTMLElement(currentNode) && ['html', 'body'].indexOf(getNodeName(currentNode)) < 0) {\n    var css = getComputedStyle(currentNode); // This is non-exhaustive but covers the most common CSS properties that\n    // create a containing block.\n    // https://developer.mozilla.org/en-US/docs/Web/CSS/Containing_block#identifying_the_containing_block\n\n    if (css.transform !== 'none' || css.perspective !== 'none' || css.contain === 'paint' || ['transform', 'perspective'].indexOf(css.willChange) !== -1 || isFirefox && css.willChange === 'filter' || isFirefox && css.filter && css.filter !== 'none') {\n      return currentNode;\n    } else {\n      currentNode = currentNode.parentNode;\n    }\n  }\n\n  return null;\n} // Gets the closest ancestor positioned element. Handles some edge cases,\n// such as table ancestors and cross browser bugs.\n\n\nexport default function getOffsetParent(element) {\n  var window = getWindow(element);\n  var offsetParent = getTrueOffsetParent(element);\n\n  while (offsetParent && isTableElement(offsetParent) && getComputedStyle(offsetParent).position === 'static') {\n    offsetParent = getTrueOffsetParent(offsetParent);\n  }\n\n  if (offsetParent && (getNodeName(offsetParent) === 'html' || getNodeName(offsetParent) === 'body' && getComputedStyle(offsetParent).position === 'static')) {\n    return window;\n  }\n\n  return offsetParent || getContainingBlock(element) || window;\n}","export default function getMainAxisFromPlacement(placement) {\n  return ['top', 'bottom'].indexOf(placement) >= 0 ? 'x' : 'y';\n}","import { max as mathMax, min as mathMin } from \"./math.js\";\nexport function within(min, value, max) {\n  return mathMax(min, mathMin(value, max));\n}\nexport function withinMaxClamp(min, value, max) {\n  var v = within(min, value, max);\n  return v > max ? max : v;\n}","import getFreshSideObject from \"./getFreshSideObject.js\";\nexport default function mergePaddingObject(paddingObject) {\n  return Object.assign({}, getFreshSideObject(), paddingObject);\n}","export default function getFreshSideObject() {\n  return {\n    top: 0,\n    right: 0,\n    bottom: 0,\n    left: 0\n  };\n}","export default function expandToHashMap(value, keys) {\n  return keys.reduce(function (hashMap, key) {\n    hashMap[key] = value;\n    return hashMap;\n  }, {});\n}","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport contains from \"../dom-utils/contains.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport { within } from \"../utils/within.js\";\nimport mergePaddingObject from \"../utils/mergePaddingObject.js\";\nimport expandToHashMap from \"../utils/expandToHashMap.js\";\nimport { left, right, basePlacements, top, bottom } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar toPaddingObject = function toPaddingObject(padding, state) {\n  padding = typeof padding === 'function' ? padding(Object.assign({}, state.rects, {\n    placement: state.placement\n  })) : padding;\n  return mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n};\n\nfunction arrow(_ref) {\n  var _state$modifiersData$;\n\n  var state = _ref.state,\n      name = _ref.name,\n      options = _ref.options;\n  var arrowElement = state.elements.arrow;\n  var popperOffsets = state.modifiersData.popperOffsets;\n  var basePlacement = getBasePlacement(state.placement);\n  var axis = getMainAxisFromPlacement(basePlacement);\n  var isVertical = [left, right].indexOf(basePlacement) >= 0;\n  var len = isVertical ? 'height' : 'width';\n\n  if (!arrowElement || !popperOffsets) {\n    return;\n  }\n\n  var paddingObject = toPaddingObject(options.padding, state);\n  var arrowRect = getLayoutRect(arrowElement);\n  var minProp = axis === 'y' ? top : left;\n  var maxProp = axis === 'y' ? bottom : right;\n  var endDiff = state.rects.reference[len] + state.rects.reference[axis] - popperOffsets[axis] - state.rects.popper[len];\n  var startDiff = popperOffsets[axis] - state.rects.reference[axis];\n  var arrowOffsetParent = getOffsetParent(arrowElement);\n  var clientSize = arrowOffsetParent ? axis === 'y' ? arrowOffsetParent.clientHeight || 0 : arrowOffsetParent.clientWidth || 0 : 0;\n  var centerToReference = endDiff / 2 - startDiff / 2; // Make sure the arrow doesn't overflow the popper if the center point is\n  // outside of the popper bounds\n\n  var min = paddingObject[minProp];\n  var max = clientSize - arrowRect[len] - paddingObject[maxProp];\n  var center = clientSize / 2 - arrowRect[len] / 2 + centerToReference;\n  var offset = within(min, center, max); // Prevents breaking syntax highlighting...\n\n  var axisProp = axis;\n  state.modifiersData[name] = (_state$modifiersData$ = {}, _state$modifiersData$[axisProp] = offset, _state$modifiersData$.centerOffset = offset - center, _state$modifiersData$);\n}\n\nfunction effect(_ref2) {\n  var state = _ref2.state,\n      options = _ref2.options;\n  var _options$element = options.element,\n      arrowElement = _options$element === void 0 ? '[data-popper-arrow]' : _options$element;\n\n  if (arrowElement == null) {\n    return;\n  } // CSS selector\n\n\n  if (typeof arrowElement === 'string') {\n    arrowElement = state.elements.popper.querySelector(arrowElement);\n\n    if (!arrowElement) {\n      return;\n    }\n  }\n\n  if (!contains(state.elements.popper, arrowElement)) {\n    return;\n  }\n\n  state.elements.arrow = arrowElement;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'arrow',\n  enabled: true,\n  phase: 'main',\n  fn: arrow,\n  effect: effect,\n  requires: ['popperOffsets'],\n  requiresIfExists: ['preventOverflow']\n};","export default function getVariation(placement) {\n  return placement.split('-')[1];\n}","import { top, left, right, bottom, end } from \"../enums.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getWindow from \"../dom-utils/getWindow.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getComputedStyle from \"../dom-utils/getComputedStyle.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport { round } from \"../utils/math.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar unsetSides = {\n  top: 'auto',\n  right: 'auto',\n  bottom: 'auto',\n  left: 'auto'\n}; // Round the offsets to the nearest suitable subpixel based on the DPR.\n// Zooming can change the DPR, but it seems to report a value that will\n// cleanly divide the values into the appropriate subpixels.\n\nfunction roundOffsetsByDPR(_ref, win) {\n  var x = _ref.x,\n      y = _ref.y;\n  var dpr = win.devicePixelRatio || 1;\n  return {\n    x: round(x * dpr) / dpr || 0,\n    y: round(y * dpr) / dpr || 0\n  };\n}\n\nexport function mapToStyles(_ref2) {\n  var _Object$assign2;\n\n  var popper = _ref2.popper,\n      popperRect = _ref2.popperRect,\n      placement = _ref2.placement,\n      variation = _ref2.variation,\n      offsets = _ref2.offsets,\n      position = _ref2.position,\n      gpuAcceleration = _ref2.gpuAcceleration,\n      adaptive = _ref2.adaptive,\n      roundOffsets = _ref2.roundOffsets,\n      isFixed = _ref2.isFixed;\n  var _offsets$x = offsets.x,\n      x = _offsets$x === void 0 ? 0 : _offsets$x,\n      _offsets$y = offsets.y,\n      y = _offsets$y === void 0 ? 0 : _offsets$y;\n\n  var _ref3 = typeof roundOffsets === 'function' ? roundOffsets({\n    x: x,\n    y: y\n  }) : {\n    x: x,\n    y: y\n  };\n\n  x = _ref3.x;\n  y = _ref3.y;\n  var hasX = offsets.hasOwnProperty('x');\n  var hasY = offsets.hasOwnProperty('y');\n  var sideX = left;\n  var sideY = top;\n  var win = window;\n\n  if (adaptive) {\n    var offsetParent = getOffsetParent(popper);\n    var heightProp = 'clientHeight';\n    var widthProp = 'clientWidth';\n\n    if (offsetParent === getWindow(popper)) {\n      offsetParent = getDocumentElement(popper);\n\n      if (getComputedStyle(offsetParent).position !== 'static' && position === 'absolute') {\n        heightProp = 'scrollHeight';\n        widthProp = 'scrollWidth';\n      }\n    } // $FlowFixMe[incompatible-cast]: force type refinement, we compare offsetParent with window above, but Flow doesn't detect it\n\n\n    offsetParent = offsetParent;\n\n    if (placement === top || (placement === left || placement === right) && variation === end) {\n      sideY = bottom;\n      var offsetY = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.height : // $FlowFixMe[prop-missing]\n      offsetParent[heightProp];\n      y -= offsetY - popperRect.height;\n      y *= gpuAcceleration ? 1 : -1;\n    }\n\n    if (placement === left || (placement === top || placement === bottom) && variation === end) {\n      sideX = right;\n      var offsetX = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.width : // $FlowFixMe[prop-missing]\n      offsetParent[widthProp];\n      x -= offsetX - popperRect.width;\n      x *= gpuAcceleration ? 1 : -1;\n    }\n  }\n\n  var commonStyles = Object.assign({\n    position: position\n  }, adaptive && unsetSides);\n\n  var _ref4 = roundOffsets === true ? roundOffsetsByDPR({\n    x: x,\n    y: y\n  }, getWindow(popper)) : {\n    x: x,\n    y: y\n  };\n\n  x = _ref4.x;\n  y = _ref4.y;\n\n  if (gpuAcceleration) {\n    var _Object$assign;\n\n    return Object.assign({}, commonStyles, (_Object$assign = {}, _Object$assign[sideY] = hasY ? '0' : '', _Object$assign[sideX] = hasX ? '0' : '', _Object$assign.transform = (win.devicePixelRatio || 1) <= 1 ? \"translate(\" + x + \"px, \" + y + \"px)\" : \"translate3d(\" + x + \"px, \" + y + \"px, 0)\", _Object$assign));\n  }\n\n  return Object.assign({}, commonStyles, (_Object$assign2 = {}, _Object$assign2[sideY] = hasY ? y + \"px\" : '', _Object$assign2[sideX] = hasX ? x + \"px\" : '', _Object$assign2.transform = '', _Object$assign2));\n}\n\nfunction computeStyles(_ref5) {\n  var state = _ref5.state,\n      options = _ref5.options;\n  var _options$gpuAccelerat = options.gpuAcceleration,\n      gpuAcceleration = _options$gpuAccelerat === void 0 ? true : _options$gpuAccelerat,\n      _options$adaptive = options.adaptive,\n      adaptive = _options$adaptive === void 0 ? true : _options$adaptive,\n      _options$roundOffsets = options.roundOffsets,\n      roundOffsets = _options$roundOffsets === void 0 ? true : _options$roundOffsets;\n  var commonStyles = {\n    placement: getBasePlacement(state.placement),\n    variation: getVariation(state.placement),\n    popper: state.elements.popper,\n    popperRect: state.rects.popper,\n    gpuAcceleration: gpuAcceleration,\n    isFixed: state.options.strategy === 'fixed'\n  };\n\n  if (state.modifiersData.popperOffsets != null) {\n    state.styles.popper = Object.assign({}, state.styles.popper, mapToStyles(Object.assign({}, commonStyles, {\n      offsets: state.modifiersData.popperOffsets,\n      position: state.options.strategy,\n      adaptive: adaptive,\n      roundOffsets: roundOffsets\n    })));\n  }\n\n  if (state.modifiersData.arrow != null) {\n    state.styles.arrow = Object.assign({}, state.styles.arrow, mapToStyles(Object.assign({}, commonStyles, {\n      offsets: state.modifiersData.arrow,\n      position: 'absolute',\n      adaptive: false,\n      roundOffsets: roundOffsets\n    })));\n  }\n\n  state.attributes.popper = Object.assign({}, state.attributes.popper, {\n    'data-popper-placement': state.placement\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'computeStyles',\n  enabled: true,\n  phase: 'beforeWrite',\n  fn: computeStyles,\n  data: {}\n};","import getWindow from \"../dom-utils/getWindow.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar passive = {\n  passive: true\n};\n\nfunction effect(_ref) {\n  var state = _ref.state,\n      instance = _ref.instance,\n      options = _ref.options;\n  var _options$scroll = options.scroll,\n      scroll = _options$scroll === void 0 ? true : _options$scroll,\n      _options$resize = options.resize,\n      resize = _options$resize === void 0 ? true : _options$resize;\n  var window = getWindow(state.elements.popper);\n  var scrollParents = [].concat(state.scrollParents.reference, state.scrollParents.popper);\n\n  if (scroll) {\n    scrollParents.forEach(function (scrollParent) {\n      scrollParent.addEventListener('scroll', instance.update, passive);\n    });\n  }\n\n  if (resize) {\n    window.addEventListener('resize', instance.update, passive);\n  }\n\n  return function () {\n    if (scroll) {\n      scrollParents.forEach(function (scrollParent) {\n        scrollParent.removeEventListener('scroll', instance.update, passive);\n      });\n    }\n\n    if (resize) {\n      window.removeEventListener('resize', instance.update, passive);\n    }\n  };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'eventListeners',\n  enabled: true,\n  phase: 'write',\n  fn: function fn() {},\n  effect: effect,\n  data: {}\n};","var hash = {\n  left: 'right',\n  right: 'left',\n  bottom: 'top',\n  top: 'bottom'\n};\nexport default function getOppositePlacement(placement) {\n  return placement.replace(/left|right|bottom|top/g, function (matched) {\n    return hash[matched];\n  });\n}","var hash = {\n  start: 'end',\n  end: 'start'\n};\nexport default function getOppositeVariationPlacement(placement) {\n  return placement.replace(/start|end/g, function (matched) {\n    return hash[matched];\n  });\n}","import getWindow from \"./getWindow.js\";\nexport default function getWindowScroll(node) {\n  var win = getWindow(node);\n  var scrollLeft = win.pageXOffset;\n  var scrollTop = win.pageYOffset;\n  return {\n    scrollLeft: scrollLeft,\n    scrollTop: scrollTop\n  };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nexport default function getWindowScrollBarX(element) {\n  // If <html> has a CSS width greater than the viewport, then this will be\n  // incorrect for RTL.\n  // Popper 1 is broken in this case and never had a bug report so let's assume\n  // it's not an issue. I don't think anyone ever specifies width on <html>\n  // anyway.\n  // Browsers where the left scrollbar doesn't cause an issue report `0` for\n  // this (e.g. Edge 2019, IE11, Safari)\n  return getBoundingClientRect(getDocumentElement(element)).left + getWindowScroll(element).scrollLeft;\n}","import getComputedStyle from \"./getComputedStyle.js\";\nexport default function isScrollParent(element) {\n  // Firefox wants us to check `-x` and `-y` variations as well\n  var _getComputedStyle = getComputedStyle(element),\n      overflow = _getComputedStyle.overflow,\n      overflowX = _getComputedStyle.overflowX,\n      overflowY = _getComputedStyle.overflowY;\n\n  return /auto|scroll|overlay|hidden/.test(overflow + overflowY + overflowX);\n}","import getParentNode from \"./getParentNode.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nexport default function getScrollParent(node) {\n  if (['html', 'body', '#document'].indexOf(getNodeName(node)) >= 0) {\n    // $FlowFixMe[incompatible-return]: assume body is always available\n    return node.ownerDocument.body;\n  }\n\n  if (isHTMLElement(node) && isScrollParent(node)) {\n    return node;\n  }\n\n  return getScrollParent(getParentNode(node));\n}","import getScrollParent from \"./getScrollParent.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getWindow from \"./getWindow.js\";\nimport isScrollParent from \"./isScrollParent.js\";\n/*\ngiven a DOM element, return the list of all scroll parents, up the list of ancesors\nuntil we get to the top window object. This list is what we attach scroll listeners\nto, because if any of these parent elements scroll, we'll need to re-calculate the\nreference element's position.\n*/\n\nexport default function listScrollParents(element, list) {\n  var _element$ownerDocumen;\n\n  if (list === void 0) {\n    list = [];\n  }\n\n  var scrollParent = getScrollParent(element);\n  var isBody = scrollParent === ((_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body);\n  var win = getWindow(scrollParent);\n  var target = isBody ? [win].concat(win.visualViewport || [], isScrollParent(scrollParent) ? scrollParent : []) : scrollParent;\n  var updatedList = list.concat(target);\n  return isBody ? updatedList : // $FlowFixMe[incompatible-call]: isBody tells us target will be an HTMLElement here\n  updatedList.concat(listScrollParents(getParentNode(target)));\n}","export default function rectToClientRect(rect) {\n  return Object.assign({}, rect, {\n    left: rect.x,\n    top: rect.y,\n    right: rect.x + rect.width,\n    bottom: rect.y + rect.height\n  });\n}","import { viewport } from \"../enums.js\";\nimport getViewportRect from \"./getViewportRect.js\";\nimport getDocumentRect from \"./getDocumentRect.js\";\nimport listScrollParents from \"./listScrollParents.js\";\nimport getOffsetParent from \"./getOffsetParent.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport contains from \"./contains.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport rectToClientRect from \"../utils/rectToClientRect.js\";\nimport { max, min } from \"../utils/math.js\";\n\nfunction getInnerBoundingClientRect(element, strategy) {\n  var rect = getBoundingClientRect(element, false, strategy === 'fixed');\n  rect.top = rect.top + element.clientTop;\n  rect.left = rect.left + element.clientLeft;\n  rect.bottom = rect.top + element.clientHeight;\n  rect.right = rect.left + element.clientWidth;\n  rect.width = element.clientWidth;\n  rect.height = element.clientHeight;\n  rect.x = rect.left;\n  rect.y = rect.top;\n  return rect;\n}\n\nfunction getClientRectFromMixedType(element, clippingParent, strategy) {\n  return clippingParent === viewport ? rectToClientRect(getViewportRect(element, strategy)) : isElement(clippingParent) ? getInnerBoundingClientRect(clippingParent, strategy) : rectToClientRect(getDocumentRect(getDocumentElement(element)));\n} // A \"clipping parent\" is an overflowable container with the characteristic of\n// clipping (or hiding) overflowing elements with a position different from\n// `initial`\n\n\nfunction getClippingParents(element) {\n  var clippingParents = listScrollParents(getParentNode(element));\n  var canEscapeClipping = ['absolute', 'fixed'].indexOf(getComputedStyle(element).position) >= 0;\n  var clipperElement = canEscapeClipping && isHTMLElement(element) ? getOffsetParent(element) : element;\n\n  if (!isElement(clipperElement)) {\n    return [];\n  } // $FlowFixMe[incompatible-return]: https://github.com/facebook/flow/issues/1414\n\n\n  return clippingParents.filter(function (clippingParent) {\n    return isElement(clippingParent) && contains(clippingParent, clipperElement) && getNodeName(clippingParent) !== 'body';\n  });\n} // Gets the maximum area that the element is visible in due to any number of\n// clipping parents\n\n\nexport default function getClippingRect(element, boundary, rootBoundary, strategy) {\n  var mainClippingParents = boundary === 'clippingParents' ? getClippingParents(element) : [].concat(boundary);\n  var clippingParents = [].concat(mainClippingParents, [rootBoundary]);\n  var firstClippingParent = clippingParents[0];\n  var clippingRect = clippingParents.reduce(function (accRect, clippingParent) {\n    var rect = getClientRectFromMixedType(element, clippingParent, strategy);\n    accRect.top = max(rect.top, accRect.top);\n    accRect.right = min(rect.right, accRect.right);\n    accRect.bottom = min(rect.bottom, accRect.bottom);\n    accRect.left = max(rect.left, accRect.left);\n    return accRect;\n  }, getClientRectFromMixedType(element, firstClippingParent, strategy));\n  clippingRect.width = clippingRect.right - clippingRect.left;\n  clippingRect.height = clippingRect.bottom - clippingRect.top;\n  clippingRect.x = clippingRect.left;\n  clippingRect.y = clippingRect.top;\n  return clippingRect;\n}","import getWindow from \"./getWindow.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getViewportRect(element, strategy) {\n  var win = getWindow(element);\n  var html = getDocumentElement(element);\n  var visualViewport = win.visualViewport;\n  var width = html.clientWidth;\n  var height = html.clientHeight;\n  var x = 0;\n  var y = 0;\n\n  if (visualViewport) {\n    width = visualViewport.width;\n    height = visualViewport.height;\n    var layoutViewport = isLayoutViewport();\n\n    if (layoutViewport || !layoutViewport && strategy === 'fixed') {\n      x = visualViewport.offsetLeft;\n      y = visualViewport.offsetTop;\n    }\n  }\n\n  return {\n    width: width,\n    height: height,\n    x: x + getWindowScrollBarX(element),\n    y: y\n  };\n}","import getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nimport { max } from \"../utils/math.js\"; // Gets the entire size of the scrollable document area, even extending outside\n// of the `<html>` and `<body>` rect bounds if horizontally scrollable\n\nexport default function getDocumentRect(element) {\n  var _element$ownerDocumen;\n\n  var html = getDocumentElement(element);\n  var winScroll = getWindowScroll(element);\n  var body = (_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body;\n  var width = max(html.scrollWidth, html.clientWidth, body ? body.scrollWidth : 0, body ? body.clientWidth : 0);\n  var height = max(html.scrollHeight, html.clientHeight, body ? body.scrollHeight : 0, body ? body.clientHeight : 0);\n  var x = -winScroll.scrollLeft + getWindowScrollBarX(element);\n  var y = -winScroll.scrollTop;\n\n  if (getComputedStyle(body || html).direction === 'rtl') {\n    x += max(html.clientWidth, body ? body.clientWidth : 0) - width;\n  }\n\n  return {\n    width: width,\n    height: height,\n    x: x,\n    y: y\n  };\n}","import getBasePlacement from \"./getBasePlacement.js\";\nimport getVariation from \"./getVariation.js\";\nimport getMainAxisFromPlacement from \"./getMainAxisFromPlacement.js\";\nimport { top, right, bottom, left, start, end } from \"../enums.js\";\nexport default function computeOffsets(_ref) {\n  var reference = _ref.reference,\n      element = _ref.element,\n      placement = _ref.placement;\n  var basePlacement = placement ? getBasePlacement(placement) : null;\n  var variation = placement ? getVariation(placement) : null;\n  var commonX = reference.x + reference.width / 2 - element.width / 2;\n  var commonY = reference.y + reference.height / 2 - element.height / 2;\n  var offsets;\n\n  switch (basePlacement) {\n    case top:\n      offsets = {\n        x: commonX,\n        y: reference.y - element.height\n      };\n      break;\n\n    case bottom:\n      offsets = {\n        x: commonX,\n        y: reference.y + reference.height\n      };\n      break;\n\n    case right:\n      offsets = {\n        x: reference.x + reference.width,\n        y: commonY\n      };\n      break;\n\n    case left:\n      offsets = {\n        x: reference.x - element.width,\n        y: commonY\n      };\n      break;\n\n    default:\n      offsets = {\n        x: reference.x,\n        y: reference.y\n      };\n  }\n\n  var mainAxis = basePlacement ? getMainAxisFromPlacement(basePlacement) : null;\n\n  if (mainAxis != null) {\n    var len = mainAxis === 'y' ? 'height' : 'width';\n\n    switch (variation) {\n      case start:\n        offsets[mainAxis] = offsets[mainAxis] - (reference[len] / 2 - element[len] / 2);\n        break;\n\n      case end:\n        offsets[mainAxis] = offsets[mainAxis] + (reference[len] / 2 - element[len] / 2);\n        break;\n\n      default:\n    }\n  }\n\n  return offsets;\n}","import getClippingRect from \"../dom-utils/getClippingRect.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getBoundingClientRect from \"../dom-utils/getBoundingClientRect.js\";\nimport computeOffsets from \"./computeOffsets.js\";\nimport rectToClientRect from \"./rectToClientRect.js\";\nimport { clippingParents, reference, popper, bottom, top, right, basePlacements, viewport } from \"../enums.js\";\nimport { isElement } from \"../dom-utils/instanceOf.js\";\nimport mergePaddingObject from \"./mergePaddingObject.js\";\nimport expandToHashMap from \"./expandToHashMap.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport default function detectOverflow(state, options) {\n  if (options === void 0) {\n    options = {};\n  }\n\n  var _options = options,\n      _options$placement = _options.placement,\n      placement = _options$placement === void 0 ? state.placement : _options$placement,\n      _options$strategy = _options.strategy,\n      strategy = _options$strategy === void 0 ? state.strategy : _options$strategy,\n      _options$boundary = _options.boundary,\n      boundary = _options$boundary === void 0 ? clippingParents : _options$boundary,\n      _options$rootBoundary = _options.rootBoundary,\n      rootBoundary = _options$rootBoundary === void 0 ? viewport : _options$rootBoundary,\n      _options$elementConte = _options.elementContext,\n      elementContext = _options$elementConte === void 0 ? popper : _options$elementConte,\n      _options$altBoundary = _options.altBoundary,\n      altBoundary = _options$altBoundary === void 0 ? false : _options$altBoundary,\n      _options$padding = _options.padding,\n      padding = _options$padding === void 0 ? 0 : _options$padding;\n  var paddingObject = mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n  var altContext = elementContext === popper ? reference : popper;\n  var popperRect = state.rects.popper;\n  var element = state.elements[altBoundary ? altContext : elementContext];\n  var clippingClientRect = getClippingRect(isElement(element) ? element : element.contextElement || getDocumentElement(state.elements.popper), boundary, rootBoundary, strategy);\n  var referenceClientRect = getBoundingClientRect(state.elements.reference);\n  var popperOffsets = computeOffsets({\n    reference: referenceClientRect,\n    element: popperRect,\n    strategy: 'absolute',\n    placement: placement\n  });\n  var popperClientRect = rectToClientRect(Object.assign({}, popperRect, popperOffsets));\n  var elementClientRect = elementContext === popper ? popperClientRect : referenceClientRect; // positive = overflowing the clipping rect\n  // 0 or negative = within the clipping rect\n\n  var overflowOffsets = {\n    top: clippingClientRect.top - elementClientRect.top + paddingObject.top,\n    bottom: elementClientRect.bottom - clippingClientRect.bottom + paddingObject.bottom,\n    left: clippingClientRect.left - elementClientRect.left + paddingObject.left,\n    right: elementClientRect.right - clippingClientRect.right + paddingObject.right\n  };\n  var offsetData = state.modifiersData.offset; // Offsets can be applied only to the popper element\n\n  if (elementContext === popper && offsetData) {\n    var offset = offsetData[placement];\n    Object.keys(overflowOffsets).forEach(function (key) {\n      var multiply = [right, bottom].indexOf(key) >= 0 ? 1 : -1;\n      var axis = [top, bottom].indexOf(key) >= 0 ? 'y' : 'x';\n      overflowOffsets[key] += offset[axis] * multiply;\n    });\n  }\n\n  return overflowOffsets;\n}","import getOppositePlacement from \"../utils/getOppositePlacement.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getOppositeVariationPlacement from \"../utils/getOppositeVariationPlacement.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport computeAutoPlacement from \"../utils/computeAutoPlacement.js\";\nimport { bottom, top, start, right, left, auto } from \"../enums.js\";\nimport getVariation from \"../utils/getVariation.js\"; // eslint-disable-next-line import/no-unused-modules\n\nfunction getExpandedFallbackPlacements(placement) {\n  if (getBasePlacement(placement) === auto) {\n    return [];\n  }\n\n  var oppositePlacement = getOppositePlacement(placement);\n  return [getOppositeVariationPlacement(placement), oppositePlacement, getOppositeVariationPlacement(oppositePlacement)];\n}\n\nfunction flip(_ref) {\n  var state = _ref.state,\n      options = _ref.options,\n      name = _ref.name;\n\n  if (state.modifiersData[name]._skip) {\n    return;\n  }\n\n  var _options$mainAxis = options.mainAxis,\n      checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n      _options$altAxis = options.altAxis,\n      checkAltAxis = _options$altAxis === void 0 ? true : _options$altAxis,\n      specifiedFallbackPlacements = options.fallbackPlacements,\n      padding = options.padding,\n      boundary = options.boundary,\n      rootBoundary = options.rootBoundary,\n      altBoundary = options.altBoundary,\n      _options$flipVariatio = options.flipVariations,\n      flipVariations = _options$flipVariatio === void 0 ? true : _options$flipVariatio,\n      allowedAutoPlacements = options.allowedAutoPlacements;\n  var preferredPlacement = state.options.placement;\n  var basePlacement = getBasePlacement(preferredPlacement);\n  var isBasePlacement = basePlacement === preferredPlacement;\n  var fallbackPlacements = specifiedFallbackPlacements || (isBasePlacement || !flipVariations ? [getOppositePlacement(preferredPlacement)] : getExpandedFallbackPlacements(preferredPlacement));\n  var placements = [preferredPlacement].concat(fallbackPlacements).reduce(function (acc, placement) {\n    return acc.concat(getBasePlacement(placement) === auto ? computeAutoPlacement(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      padding: padding,\n      flipVariations: flipVariations,\n      allowedAutoPlacements: allowedAutoPlacements\n    }) : placement);\n  }, []);\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var checksMap = new Map();\n  var makeFallbackChecks = true;\n  var firstFittingPlacement = placements[0];\n\n  for (var i = 0; i < placements.length; i++) {\n    var placement = placements[i];\n\n    var _basePlacement = getBasePlacement(placement);\n\n    var isStartVariation = getVariation(placement) === start;\n    var isVertical = [top, bottom].indexOf(_basePlacement) >= 0;\n    var len = isVertical ? 'width' : 'height';\n    var overflow = detectOverflow(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      altBoundary: altBoundary,\n      padding: padding\n    });\n    var mainVariationSide = isVertical ? isStartVariation ? right : left : isStartVariation ? bottom : top;\n\n    if (referenceRect[len] > popperRect[len]) {\n      mainVariationSide = getOppositePlacement(mainVariationSide);\n    }\n\n    var altVariationSide = getOppositePlacement(mainVariationSide);\n    var checks = [];\n\n    if (checkMainAxis) {\n      checks.push(overflow[_basePlacement] <= 0);\n    }\n\n    if (checkAltAxis) {\n      checks.push(overflow[mainVariationSide] <= 0, overflow[altVariationSide] <= 0);\n    }\n\n    if (checks.every(function (check) {\n      return check;\n    })) {\n      firstFittingPlacement = placement;\n      makeFallbackChecks = false;\n      break;\n    }\n\n    checksMap.set(placement, checks);\n  }\n\n  if (makeFallbackChecks) {\n    // `2` may be desired in some cases – research later\n    var numberOfChecks = flipVariations ? 3 : 1;\n\n    var _loop = function _loop(_i) {\n      var fittingPlacement = placements.find(function (placement) {\n        var checks = checksMap.get(placement);\n\n        if (checks) {\n          return checks.slice(0, _i).every(function (check) {\n            return check;\n          });\n        }\n      });\n\n      if (fittingPlacement) {\n        firstFittingPlacement = fittingPlacement;\n        return \"break\";\n      }\n    };\n\n    for (var _i = numberOfChecks; _i > 0; _i--) {\n      var _ret = _loop(_i);\n\n      if (_ret === \"break\") break;\n    }\n  }\n\n  if (state.placement !== firstFittingPlacement) {\n    state.modifiersData[name]._skip = true;\n    state.placement = firstFittingPlacement;\n    state.reset = true;\n  }\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'flip',\n  enabled: true,\n  phase: 'main',\n  fn: flip,\n  requiresIfExists: ['offset'],\n  data: {\n    _skip: false\n  }\n};","import getVariation from \"./getVariation.js\";\nimport { variationPlacements, basePlacements, placements as allPlacements } from \"../enums.js\";\nimport detectOverflow from \"./detectOverflow.js\";\nimport getBasePlacement from \"./getBasePlacement.js\";\nexport default function computeAutoPlacement(state, options) {\n  if (options === void 0) {\n    options = {};\n  }\n\n  var _options = options,\n      placement = _options.placement,\n      boundary = _options.boundary,\n      rootBoundary = _options.rootBoundary,\n      padding = _options.padding,\n      flipVariations = _options.flipVariations,\n      _options$allowedAutoP = _options.allowedAutoPlacements,\n      allowedAutoPlacements = _options$allowedAutoP === void 0 ? allPlacements : _options$allowedAutoP;\n  var variation = getVariation(placement);\n  var placements = variation ? flipVariations ? variationPlacements : variationPlacements.filter(function (placement) {\n    return getVariation(placement) === variation;\n  }) : basePlacements;\n  var allowedPlacements = placements.filter(function (placement) {\n    return allowedAutoPlacements.indexOf(placement) >= 0;\n  });\n\n  if (allowedPlacements.length === 0) {\n    allowedPlacements = placements;\n  } // $FlowFixMe[incompatible-type]: Flow seems to have problems with two array unions...\n\n\n  var overflows = allowedPlacements.reduce(function (acc, placement) {\n    acc[placement] = detectOverflow(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      padding: padding\n    })[getBasePlacement(placement)];\n    return acc;\n  }, {});\n  return Object.keys(overflows).sort(function (a, b) {\n    return overflows[a] - overflows[b];\n  });\n}","import { top, bottom, left, right } from \"../enums.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\n\nfunction getSideOffsets(overflow, rect, preventedOffsets) {\n  if (preventedOffsets === void 0) {\n    preventedOffsets = {\n      x: 0,\n      y: 0\n    };\n  }\n\n  return {\n    top: overflow.top - rect.height - preventedOffsets.y,\n    right: overflow.right - rect.width + preventedOffsets.x,\n    bottom: overflow.bottom - rect.height + preventedOffsets.y,\n    left: overflow.left - rect.width - preventedOffsets.x\n  };\n}\n\nfunction isAnySideFullyClipped(overflow) {\n  return [top, right, bottom, left].some(function (side) {\n    return overflow[side] >= 0;\n  });\n}\n\nfunction hide(_ref) {\n  var state = _ref.state,\n      name = _ref.name;\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var preventedOffsets = state.modifiersData.preventOverflow;\n  var referenceOverflow = detectOverflow(state, {\n    elementContext: 'reference'\n  });\n  var popperAltOverflow = detectOverflow(state, {\n    altBoundary: true\n  });\n  var referenceClippingOffsets = getSideOffsets(referenceOverflow, referenceRect);\n  var popperEscapeOffsets = getSideOffsets(popperAltOverflow, popperRect, preventedOffsets);\n  var isReferenceHidden = isAnySideFullyClipped(referenceClippingOffsets);\n  var hasPopperEscaped = isAnySideFullyClipped(popperEscapeOffsets);\n  state.modifiersData[name] = {\n    referenceClippingOffsets: referenceClippingOffsets,\n    popperEscapeOffsets: popperEscapeOffsets,\n    isReferenceHidden: isReferenceHidden,\n    hasPopperEscaped: hasPopperEscaped\n  };\n  state.attributes.popper = Object.assign({}, state.attributes.popper, {\n    'data-popper-reference-hidden': isReferenceHidden,\n    'data-popper-escaped': hasPopperEscaped\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'hide',\n  enabled: true,\n  phase: 'main',\n  requiresIfExists: ['preventOverflow'],\n  fn: hide\n};","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport { top, left, right, placements } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport function distanceAndSkiddingToXY(placement, rects, offset) {\n  var basePlacement = getBasePlacement(placement);\n  var invertDistance = [left, top].indexOf(basePlacement) >= 0 ? -1 : 1;\n\n  var _ref = typeof offset === 'function' ? offset(Object.assign({}, rects, {\n    placement: placement\n  })) : offset,\n      skidding = _ref[0],\n      distance = _ref[1];\n\n  skidding = skidding || 0;\n  distance = (distance || 0) * invertDistance;\n  return [left, right].indexOf(basePlacement) >= 0 ? {\n    x: distance,\n    y: skidding\n  } : {\n    x: skidding,\n    y: distance\n  };\n}\n\nfunction offset(_ref2) {\n  var state = _ref2.state,\n      options = _ref2.options,\n      name = _ref2.name;\n  var _options$offset = options.offset,\n      offset = _options$offset === void 0 ? [0, 0] : _options$offset;\n  var data = placements.reduce(function (acc, placement) {\n    acc[placement] = distanceAndSkiddingToXY(placement, state.rects, offset);\n    return acc;\n  }, {});\n  var _data$state$placement = data[state.placement],\n      x = _data$state$placement.x,\n      y = _data$state$placement.y;\n\n  if (state.modifiersData.popperOffsets != null) {\n    state.modifiersData.popperOffsets.x += x;\n    state.modifiersData.popperOffsets.y += y;\n  }\n\n  state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'offset',\n  enabled: true,\n  phase: 'main',\n  requires: ['popperOffsets'],\n  fn: offset\n};","import computeOffsets from \"../utils/computeOffsets.js\";\n\nfunction popperOffsets(_ref) {\n  var state = _ref.state,\n      name = _ref.name;\n  // Offsets are the actual position the popper needs to have to be\n  // properly positioned near its reference element\n  // This is the most basic placement, and will be adjusted by\n  // the modifiers in the next step\n  state.modifiersData[name] = computeOffsets({\n    reference: state.rects.reference,\n    element: state.rects.popper,\n    strategy: 'absolute',\n    placement: state.placement\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'popperOffsets',\n  enabled: true,\n  phase: 'read',\n  fn: popperOffsets,\n  data: {}\n};","import { top, left, right, bottom, start } from \"../enums.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport getAltAxis from \"../utils/getAltAxis.js\";\nimport { within, withinMaxClamp } from \"../utils/within.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport getFreshSideObject from \"../utils/getFreshSideObject.js\";\nimport { min as mathMin, max as mathMax } from \"../utils/math.js\";\n\nfunction preventOverflow(_ref) {\n  var state = _ref.state,\n      options = _ref.options,\n      name = _ref.name;\n  var _options$mainAxis = options.mainAxis,\n      checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n      _options$altAxis = options.altAxis,\n      checkAltAxis = _options$altAxis === void 0 ? false : _options$altAxis,\n      boundary = options.boundary,\n      rootBoundary = options.rootBoundary,\n      altBoundary = options.altBoundary,\n      padding = options.padding,\n      _options$tether = options.tether,\n      tether = _options$tether === void 0 ? true : _options$tether,\n      _options$tetherOffset = options.tetherOffset,\n      tetherOffset = _options$tetherOffset === void 0 ? 0 : _options$tetherOffset;\n  var overflow = detectOverflow(state, {\n    boundary: boundary,\n    rootBoundary: rootBoundary,\n    padding: padding,\n    altBoundary: altBoundary\n  });\n  var basePlacement = getBasePlacement(state.placement);\n  var variation = getVariation(state.placement);\n  var isBasePlacement = !variation;\n  var mainAxis = getMainAxisFromPlacement(basePlacement);\n  var altAxis = getAltAxis(mainAxis);\n  var popperOffsets = state.modifiersData.popperOffsets;\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var tetherOffsetValue = typeof tetherOffset === 'function' ? tetherOffset(Object.assign({}, state.rects, {\n    placement: state.placement\n  })) : tetherOffset;\n  var normalizedTetherOffsetValue = typeof tetherOffsetValue === 'number' ? {\n    mainAxis: tetherOffsetValue,\n    altAxis: tetherOffsetValue\n  } : Object.assign({\n    mainAxis: 0,\n    altAxis: 0\n  }, tetherOffsetValue);\n  var offsetModifierState = state.modifiersData.offset ? state.modifiersData.offset[state.placement] : null;\n  var data = {\n    x: 0,\n    y: 0\n  };\n\n  if (!popperOffsets) {\n    return;\n  }\n\n  if (checkMainAxis) {\n    var _offsetModifierState$;\n\n    var mainSide = mainAxis === 'y' ? top : left;\n    var altSide = mainAxis === 'y' ? bottom : right;\n    var len = mainAxis === 'y' ? 'height' : 'width';\n    var offset = popperOffsets[mainAxis];\n    var min = offset + overflow[mainSide];\n    var max = offset - overflow[altSide];\n    var additive = tether ? -popperRect[len] / 2 : 0;\n    var minLen = variation === start ? referenceRect[len] : popperRect[len];\n    var maxLen = variation === start ? -popperRect[len] : -referenceRect[len]; // We need to include the arrow in the calculation so the arrow doesn't go\n    // outside the reference bounds\n\n    var arrowElement = state.elements.arrow;\n    var arrowRect = tether && arrowElement ? getLayoutRect(arrowElement) : {\n      width: 0,\n      height: 0\n    };\n    var arrowPaddingObject = state.modifiersData['arrow#persistent'] ? state.modifiersData['arrow#persistent'].padding : getFreshSideObject();\n    var arrowPaddingMin = arrowPaddingObject[mainSide];\n    var arrowPaddingMax = arrowPaddingObject[altSide]; // If the reference length is smaller than the arrow length, we don't want\n    // to include its full size in the calculation. If the reference is small\n    // and near the edge of a boundary, the popper can overflow even if the\n    // reference is not overflowing as well (e.g. virtual elements with no\n    // width or height)\n\n    var arrowLen = within(0, referenceRect[len], arrowRect[len]);\n    var minOffset = isBasePlacement ? referenceRect[len] / 2 - additive - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis : minLen - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis;\n    var maxOffset = isBasePlacement ? -referenceRect[len] / 2 + additive + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis : maxLen + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis;\n    var arrowOffsetParent = state.elements.arrow && getOffsetParent(state.elements.arrow);\n    var clientOffset = arrowOffsetParent ? mainAxis === 'y' ? arrowOffsetParent.clientTop || 0 : arrowOffsetParent.clientLeft || 0 : 0;\n    var offsetModifierValue = (_offsetModifierState$ = offsetModifierState == null ? void 0 : offsetModifierState[mainAxis]) != null ? _offsetModifierState$ : 0;\n    var tetherMin = offset + minOffset - offsetModifierValue - clientOffset;\n    var tetherMax = offset + maxOffset - offsetModifierValue;\n    var preventedOffset = within(tether ? mathMin(min, tetherMin) : min, offset, tether ? mathMax(max, tetherMax) : max);\n    popperOffsets[mainAxis] = preventedOffset;\n    data[mainAxis] = preventedOffset - offset;\n  }\n\n  if (checkAltAxis) {\n    var _offsetModifierState$2;\n\n    var _mainSide = mainAxis === 'x' ? top : left;\n\n    var _altSide = mainAxis === 'x' ? bottom : right;\n\n    var _offset = popperOffsets[altAxis];\n\n    var _len = altAxis === 'y' ? 'height' : 'width';\n\n    var _min = _offset + overflow[_mainSide];\n\n    var _max = _offset - overflow[_altSide];\n\n    var isOriginSide = [top, left].indexOf(basePlacement) !== -1;\n\n    var _offsetModifierValue = (_offsetModifierState$2 = offsetModifierState == null ? void 0 : offsetModifierState[altAxis]) != null ? _offsetModifierState$2 : 0;\n\n    var _tetherMin = isOriginSide ? _min : _offset - referenceRect[_len] - popperRect[_len] - _offsetModifierValue + normalizedTetherOffsetValue.altAxis;\n\n    var _tetherMax = isOriginSide ? _offset + referenceRect[_len] + popperRect[_len] - _offsetModifierValue - normalizedTetherOffsetValue.altAxis : _max;\n\n    var _preventedOffset = tether && isOriginSide ? withinMaxClamp(_tetherMin, _offset, _tetherMax) : within(tether ? _tetherMin : _min, _offset, tether ? _tetherMax : _max);\n\n    popperOffsets[altAxis] = _preventedOffset;\n    data[altAxis] = _preventedOffset - _offset;\n  }\n\n  state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'preventOverflow',\n  enabled: true,\n  phase: 'main',\n  fn: preventOverflow,\n  requiresIfExists: ['offset']\n};","export default function getAltAxis(axis) {\n  return axis === 'x' ? 'y' : 'x';\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getNodeScroll from \"./getNodeScroll.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport { round } from \"../utils/math.js\";\n\nfunction isElementScaled(element) {\n  var rect = element.getBoundingClientRect();\n  var scaleX = round(rect.width) / element.offsetWidth || 1;\n  var scaleY = round(rect.height) / element.offsetHeight || 1;\n  return scaleX !== 1 || scaleY !== 1;\n} // Returns the composite rect of an element relative to its offsetParent.\n// Composite means it takes into account transforms as well as layout.\n\n\nexport default function getCompositeRect(elementOrVirtualElement, offsetParent, isFixed) {\n  if (isFixed === void 0) {\n    isFixed = false;\n  }\n\n  var isOffsetParentAnElement = isHTMLElement(offsetParent);\n  var offsetParentIsScaled = isHTMLElement(offsetParent) && isElementScaled(offsetParent);\n  var documentElement = getDocumentElement(offsetParent);\n  var rect = getBoundingClientRect(elementOrVirtualElement, offsetParentIsScaled, isFixed);\n  var scroll = {\n    scrollLeft: 0,\n    scrollTop: 0\n  };\n  var offsets = {\n    x: 0,\n    y: 0\n  };\n\n  if (isOffsetParentAnElement || !isOffsetParentAnElement && !isFixed) {\n    if (getNodeName(offsetParent) !== 'body' || // https://github.com/popperjs/popper-core/issues/1078\n    isScrollParent(documentElement)) {\n      scroll = getNodeScroll(offsetParent);\n    }\n\n    if (isHTMLElement(offsetParent)) {\n      offsets = getBoundingClientRect(offsetParent, true);\n      offsets.x += offsetParent.clientLeft;\n      offsets.y += offsetParent.clientTop;\n    } else if (documentElement) {\n      offsets.x = getWindowScrollBarX(documentElement);\n    }\n  }\n\n  return {\n    x: rect.left + scroll.scrollLeft - offsets.x,\n    y: rect.top + scroll.scrollTop - offsets.y,\n    width: rect.width,\n    height: rect.height\n  };\n}","import getWindowScroll from \"./getWindowScroll.js\";\nimport getWindow from \"./getWindow.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getHTMLElementScroll from \"./getHTMLElementScroll.js\";\nexport default function getNodeScroll(node) {\n  if (node === getWindow(node) || !isHTMLElement(node)) {\n    return getWindowScroll(node);\n  } else {\n    return getHTMLElementScroll(node);\n  }\n}","export default function getHTMLElementScroll(element) {\n  return {\n    scrollLeft: element.scrollLeft,\n    scrollTop: element.scrollTop\n  };\n}","import { modifierPhases } from \"../enums.js\"; // source: https://stackoverflow.com/questions/49875255\n\nfunction order(modifiers) {\n  var map = new Map();\n  var visited = new Set();\n  var result = [];\n  modifiers.forEach(function (modifier) {\n    map.set(modifier.name, modifier);\n  }); // On visiting object, check for its dependencies and visit them recursively\n\n  function sort(modifier) {\n    visited.add(modifier.name);\n    var requires = [].concat(modifier.requires || [], modifier.requiresIfExists || []);\n    requires.forEach(function (dep) {\n      if (!visited.has(dep)) {\n        var depModifier = map.get(dep);\n\n        if (depModifier) {\n          sort(depModifier);\n        }\n      }\n    });\n    result.push(modifier);\n  }\n\n  modifiers.forEach(function (modifier) {\n    if (!visited.has(modifier.name)) {\n      // check for visited object\n      sort(modifier);\n    }\n  });\n  return result;\n}\n\nexport default function orderModifiers(modifiers) {\n  // order based on dependencies\n  var orderedModifiers = order(modifiers); // order based on phase\n\n  return modifierPhases.reduce(function (acc, phase) {\n    return acc.concat(orderedModifiers.filter(function (modifier) {\n      return modifier.phase === phase;\n    }));\n  }, []);\n}","import getCompositeRect from \"./dom-utils/getCompositeRect.js\";\nimport getLayoutRect from \"./dom-utils/getLayoutRect.js\";\nimport listScrollParents from \"./dom-utils/listScrollParents.js\";\nimport getOffsetParent from \"./dom-utils/getOffsetParent.js\";\nimport orderModifiers from \"./utils/orderModifiers.js\";\nimport debounce from \"./utils/debounce.js\";\nimport mergeByName from \"./utils/mergeByName.js\";\nimport detectOverflow from \"./utils/detectOverflow.js\";\nimport { isElement } from \"./dom-utils/instanceOf.js\";\nvar DEFAULT_OPTIONS = {\n  placement: 'bottom',\n  modifiers: [],\n  strategy: 'absolute'\n};\n\nfunction areValidElements() {\n  for (var _len = arguments.length, args = new Array(_len), _key = 0; _key < _len; _key++) {\n    args[_key] = arguments[_key];\n  }\n\n  return !args.some(function (element) {\n    return !(element && typeof element.getBoundingClientRect === 'function');\n  });\n}\n\nexport function popperGenerator(generatorOptions) {\n  if (generatorOptions === void 0) {\n    generatorOptions = {};\n  }\n\n  var _generatorOptions = generatorOptions,\n      _generatorOptions$def = _generatorOptions.defaultModifiers,\n      defaultModifiers = _generatorOptions$def === void 0 ? [] : _generatorOptions$def,\n      _generatorOptions$def2 = _generatorOptions.defaultOptions,\n      defaultOptions = _generatorOptions$def2 === void 0 ? DEFAULT_OPTIONS : _generatorOptions$def2;\n  return function createPopper(reference, popper, options) {\n    if (options === void 0) {\n      options = defaultOptions;\n    }\n\n    var state = {\n      placement: 'bottom',\n      orderedModifiers: [],\n      options: Object.assign({}, DEFAULT_OPTIONS, defaultOptions),\n      modifiersData: {},\n      elements: {\n        reference: reference,\n        popper: popper\n      },\n      attributes: {},\n      styles: {}\n    };\n    var effectCleanupFns = [];\n    var isDestroyed = false;\n    var instance = {\n      state: state,\n      setOptions: function setOptions(setOptionsAction) {\n        var options = typeof setOptionsAction === 'function' ? setOptionsAction(state.options) : setOptionsAction;\n        cleanupModifierEffects();\n        state.options = Object.assign({}, defaultOptions, state.options, options);\n        state.scrollParents = {\n          reference: isElement(reference) ? listScrollParents(reference) : reference.contextElement ? listScrollParents(reference.contextElement) : [],\n          popper: listScrollParents(popper)\n        }; // Orders the modifiers based on their dependencies and `phase`\n        // properties\n\n        var orderedModifiers = orderModifiers(mergeByName([].concat(defaultModifiers, state.options.modifiers))); // Strip out disabled modifiers\n\n        state.orderedModifiers = orderedModifiers.filter(function (m) {\n          return m.enabled;\n        });\n        runModifierEffects();\n        return instance.update();\n      },\n      // Sync update – it will always be executed, even if not necessary. This\n      // is useful for low frequency updates where sync behavior simplifies the\n      // logic.\n      // For high frequency updates (e.g. `resize` and `scroll` events), always\n      // prefer the async Popper#update method\n      forceUpdate: function forceUpdate() {\n        if (isDestroyed) {\n          return;\n        }\n\n        var _state$elements = state.elements,\n            reference = _state$elements.reference,\n            popper = _state$elements.popper; // Don't proceed if `reference` or `popper` are not valid elements\n        // anymore\n\n        if (!areValidElements(reference, popper)) {\n          return;\n        } // Store the reference and popper rects to be read by modifiers\n\n\n        state.rects = {\n          reference: getCompositeRect(reference, getOffsetParent(popper), state.options.strategy === 'fixed'),\n          popper: getLayoutRect(popper)\n        }; // Modifiers have the ability to reset the current update cycle. The\n        // most common use case for this is the `flip` modifier changing the\n        // placement, which then needs to re-run all the modifiers, because the\n        // logic was previously ran for the previous placement and is therefore\n        // stale/incorrect\n\n        state.reset = false;\n        state.placement = state.options.placement; // On each update cycle, the `modifiersData` property for each modifier\n        // is filled with the initial data specified by the modifier. This means\n        // it doesn't persist and is fresh on each update.\n        // To ensure persistent data, use `${name}#persistent`\n\n        state.orderedModifiers.forEach(function (modifier) {\n          return state.modifiersData[modifier.name] = Object.assign({}, modifier.data);\n        });\n\n        for (var index = 0; index < state.orderedModifiers.length; index++) {\n          if (state.reset === true) {\n            state.reset = false;\n            index = -1;\n            continue;\n          }\n\n          var _state$orderedModifie = state.orderedModifiers[index],\n              fn = _state$orderedModifie.fn,\n              _state$orderedModifie2 = _state$orderedModifie.options,\n              _options = _state$orderedModifie2 === void 0 ? {} : _state$orderedModifie2,\n              name = _state$orderedModifie.name;\n\n          if (typeof fn === 'function') {\n            state = fn({\n              state: state,\n              options: _options,\n              name: name,\n              instance: instance\n            }) || state;\n          }\n        }\n      },\n      // Async and optimistically optimized update – it will not be executed if\n      // not necessary (debounced to run at most once-per-tick)\n      update: debounce(function () {\n        return new Promise(function (resolve) {\n          instance.forceUpdate();\n          resolve(state);\n        });\n      }),\n      destroy: function destroy() {\n        cleanupModifierEffects();\n        isDestroyed = true;\n      }\n    };\n\n    if (!areValidElements(reference, popper)) {\n      return instance;\n    }\n\n    instance.setOptions(options).then(function (state) {\n      if (!isDestroyed && options.onFirstUpdate) {\n        options.onFirstUpdate(state);\n      }\n    }); // Modifiers have the ability to execute arbitrary code before the first\n    // update cycle runs. They will be executed in the same order as the update\n    // cycle. This is useful when a modifier adds some persistent data that\n    // other modifiers need to use, but the modifier is run after the dependent\n    // one.\n\n    function runModifierEffects() {\n      state.orderedModifiers.forEach(function (_ref) {\n        var name = _ref.name,\n            _ref$options = _ref.options,\n            options = _ref$options === void 0 ? {} : _ref$options,\n            effect = _ref.effect;\n\n        if (typeof effect === 'function') {\n          var cleanupFn = effect({\n            state: state,\n            name: name,\n            instance: instance,\n            options: options\n          });\n\n          var noopFn = function noopFn() {};\n\n          effectCleanupFns.push(cleanupFn || noopFn);\n        }\n      });\n    }\n\n    function cleanupModifierEffects() {\n      effectCleanupFns.forEach(function (fn) {\n        return fn();\n      });\n      effectCleanupFns = [];\n    }\n\n    return instance;\n  };\n}\nexport var createPopper = /*#__PURE__*/popperGenerator(); // eslint-disable-next-line import/no-unused-modules\n\nexport { detectOverflow };","export default function debounce(fn) {\n  var pending;\n  return function () {\n    if (!pending) {\n      pending = new Promise(function (resolve) {\n        Promise.resolve().then(function () {\n          pending = undefined;\n          resolve(fn());\n        });\n      });\n    }\n\n    return pending;\n  };\n}","export default function mergeByName(modifiers) {\n  var merged = modifiers.reduce(function (merged, current) {\n    var existing = merged[current.name];\n    merged[current.name] = existing ? Object.assign({}, existing, current, {\n      options: Object.assign({}, existing.options, current.options),\n      data: Object.assign({}, existing.data, current.data)\n    }) : current;\n    return merged;\n  }, {}); // IE11 does not support Object.values\n\n  return Object.keys(merged).map(function (key) {\n    return merged[key];\n  });\n}","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nimport offset from \"./modifiers/offset.js\";\nimport flip from \"./modifiers/flip.js\";\nimport preventOverflow from \"./modifiers/preventOverflow.js\";\nimport arrow from \"./modifiers/arrow.js\";\nimport hide from \"./modifiers/hide.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles, offset, flip, preventOverflow, arrow, hide];\nvar createPopper = /*#__PURE__*/popperGenerator({\n  defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow }; // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper as createPopperLite } from \"./popper-lite.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport * from \"./modifiers/index.js\";","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles];\nvar createPopper = /*#__PURE__*/popperGenerator({\n  defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow };","/*!\n  * Bootstrap v5.3.2 (https://getbootstrap.com/)\n  * Copyright 2011-2023 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors)\n  * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n  */\nimport * as Popper from '@popperjs/core';\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/data.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n/**\n * Constants\n */\n\nconst elementMap = new Map();\nconst Data = {\n  set(element, key, instance) {\n    if (!elementMap.has(element)) {\n      elementMap.set(element, new Map());\n    }\n    const instanceMap = elementMap.get(element);\n\n    // make it clear we only want one instance per element\n    // can be removed later when multiple key/instances are fine to be used\n    if (!instanceMap.has(key) && instanceMap.size !== 0) {\n      // eslint-disable-next-line no-console\n      console.error(`Bootstrap doesn't allow more than one instance per element. Bound instance: ${Array.from(instanceMap.keys())[0]}.`);\n      return;\n    }\n    instanceMap.set(key, instance);\n  },\n  get(element, key) {\n    if (elementMap.has(element)) {\n      return elementMap.get(element).get(key) || null;\n    }\n    return null;\n  },\n  remove(element, key) {\n    if (!elementMap.has(element)) {\n      return;\n    }\n    const instanceMap = elementMap.get(element);\n    instanceMap.delete(key);\n\n    // free up element references if there are no instances left for an element\n    if (instanceMap.size === 0) {\n      elementMap.delete(element);\n    }\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/index.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst MAX_UID = 1000000;\nconst MILLISECONDS_MULTIPLIER = 1000;\nconst TRANSITION_END = 'transitionend';\n\n/**\n * Properly escape IDs selectors to handle weird IDs\n * @param {string} selector\n * @returns {string}\n */\nconst parseSelector = selector => {\n  if (selector && window.CSS && window.CSS.escape) {\n    // document.querySelector needs escaping to handle IDs (html5+) containing for instance /\n    selector = selector.replace(/#([^\\s\"#']+)/g, (match, id) => `#${CSS.escape(id)}`);\n  }\n  return selector;\n};\n\n// Shout-out Angus Croll (https://goo.gl/pxwQGp)\nconst toType = object => {\n  if (object === null || object === undefined) {\n    return `${object}`;\n  }\n  return Object.prototype.toString.call(object).match(/\\s([a-z]+)/i)[1].toLowerCase();\n};\n\n/**\n * Public Util API\n */\n\nconst getUID = prefix => {\n  do {\n    prefix += Math.floor(Math.random() * MAX_UID);\n  } while (document.getElementById(prefix));\n  return prefix;\n};\nconst getTransitionDurationFromElement = element => {\n  if (!element) {\n    return 0;\n  }\n\n  // Get transition-duration of the element\n  let {\n    transitionDuration,\n    transitionDelay\n  } = window.getComputedStyle(element);\n  const floatTransitionDuration = Number.parseFloat(transitionDuration);\n  const floatTransitionDelay = Number.parseFloat(transitionDelay);\n\n  // Return 0 if element or transition duration is not found\n  if (!floatTransitionDuration && !floatTransitionDelay) {\n    return 0;\n  }\n\n  // If multiple durations are defined, take the first\n  transitionDuration = transitionDuration.split(',')[0];\n  transitionDelay = transitionDelay.split(',')[0];\n  return (Number.parseFloat(transitionDuration) + Number.parseFloat(transitionDelay)) * MILLISECONDS_MULTIPLIER;\n};\nconst triggerTransitionEnd = element => {\n  element.dispatchEvent(new Event(TRANSITION_END));\n};\nconst isElement = object => {\n  if (!object || typeof object !== 'object') {\n    return false;\n  }\n  if (typeof object.jquery !== 'undefined') {\n    object = object[0];\n  }\n  return typeof object.nodeType !== 'undefined';\n};\nconst getElement = object => {\n  // it's a jQuery object or a node element\n  if (isElement(object)) {\n    return object.jquery ? object[0] : object;\n  }\n  if (typeof object === 'string' && object.length > 0) {\n    return document.querySelector(parseSelector(object));\n  }\n  return null;\n};\nconst isVisible = element => {\n  if (!isElement(element) || element.getClientRects().length === 0) {\n    return false;\n  }\n  const elementIsVisible = getComputedStyle(element).getPropertyValue('visibility') === 'visible';\n  // Handle `details` element as its content may falsie appear visible when it is closed\n  const closedDetails = element.closest('details:not([open])');\n  if (!closedDetails) {\n    return elementIsVisible;\n  }\n  if (closedDetails !== element) {\n    const summary = element.closest('summary');\n    if (summary && summary.parentNode !== closedDetails) {\n      return false;\n    }\n    if (summary === null) {\n      return false;\n    }\n  }\n  return elementIsVisible;\n};\nconst isDisabled = element => {\n  if (!element || element.nodeType !== Node.ELEMENT_NODE) {\n    return true;\n  }\n  if (element.classList.contains('disabled')) {\n    return true;\n  }\n  if (typeof element.disabled !== 'undefined') {\n    return element.disabled;\n  }\n  return element.hasAttribute('disabled') && element.getAttribute('disabled') !== 'false';\n};\nconst findShadowRoot = element => {\n  if (!document.documentElement.attachShadow) {\n    return null;\n  }\n\n  // Can find the shadow root otherwise it'll return the document\n  if (typeof element.getRootNode === 'function') {\n    const root = element.getRootNode();\n    return root instanceof ShadowRoot ? root : null;\n  }\n  if (element instanceof ShadowRoot) {\n    return element;\n  }\n\n  // when we don't find a shadow root\n  if (!element.parentNode) {\n    return null;\n  }\n  return findShadowRoot(element.parentNode);\n};\nconst noop = () => {};\n\n/**\n * Trick to restart an element's animation\n *\n * @param {HTMLElement} element\n * @return void\n *\n * @see https://www.charistheo.io/blog/2021/02/restart-a-css-animation-with-javascript/#restarting-a-css-animation\n */\nconst reflow = element => {\n  element.offsetHeight; // eslint-disable-line no-unused-expressions\n};\n\nconst getjQuery = () => {\n  if (window.jQuery && !document.body.hasAttribute('data-bs-no-jquery')) {\n    return window.jQuery;\n  }\n  return null;\n};\nconst DOMContentLoadedCallbacks = [];\nconst onDOMContentLoaded = callback => {\n  if (document.readyState === 'loading') {\n    // add listener on the first call when the document is in loading state\n    if (!DOMContentLoadedCallbacks.length) {\n      document.addEventListener('DOMContentLoaded', () => {\n        for (const callback of DOMContentLoadedCallbacks) {\n          callback();\n        }\n      });\n    }\n    DOMContentLoadedCallbacks.push(callback);\n  } else {\n    callback();\n  }\n};\nconst isRTL = () => document.documentElement.dir === 'rtl';\nconst defineJQueryPlugin = plugin => {\n  onDOMContentLoaded(() => {\n    const $ = getjQuery();\n    /* istanbul ignore if */\n    if ($) {\n      const name = plugin.NAME;\n      const JQUERY_NO_CONFLICT = $.fn[name];\n      $.fn[name] = plugin.jQueryInterface;\n      $.fn[name].Constructor = plugin;\n      $.fn[name].noConflict = () => {\n        $.fn[name] = JQUERY_NO_CONFLICT;\n        return plugin.jQueryInterface;\n      };\n    }\n  });\n};\nconst execute = (possibleCallback, args = [], defaultValue = possibleCallback) => {\n  return typeof possibleCallback === 'function' ? possibleCallback(...args) : defaultValue;\n};\nconst executeAfterTransition = (callback, transitionElement, waitForTransition = true) => {\n  if (!waitForTransition) {\n    execute(callback);\n    return;\n  }\n  const durationPadding = 5;\n  const emulatedDuration = getTransitionDurationFromElement(transitionElement) + durationPadding;\n  let called = false;\n  const handler = ({\n    target\n  }) => {\n    if (target !== transitionElement) {\n      return;\n    }\n    called = true;\n    transitionElement.removeEventListener(TRANSITION_END, handler);\n    execute(callback);\n  };\n  transitionElement.addEventListener(TRANSITION_END, handler);\n  setTimeout(() => {\n    if (!called) {\n      triggerTransitionEnd(transitionElement);\n    }\n  }, emulatedDuration);\n};\n\n/**\n * Return the previous/next element of a list.\n *\n * @param {array} list    The list of elements\n * @param activeElement   The active element\n * @param shouldGetNext   Choose to get next or previous element\n * @param isCycleAllowed\n * @return {Element|elem} The proper element\n */\nconst getNextActiveElement = (list, activeElement, shouldGetNext, isCycleAllowed) => {\n  const listLength = list.length;\n  let index = list.indexOf(activeElement);\n\n  // if the element does not exist in the list return an element\n  // depending on the direction and if cycle is allowed\n  if (index === -1) {\n    return !shouldGetNext && isCycleAllowed ? list[listLength - 1] : list[0];\n  }\n  index += shouldGetNext ? 1 : -1;\n  if (isCycleAllowed) {\n    index = (index + listLength) % listLength;\n  }\n  return list[Math.max(0, Math.min(index, listLength - 1))];\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/event-handler.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst namespaceRegex = /[^.]*(?=\\..*)\\.|.*/;\nconst stripNameRegex = /\\..*/;\nconst stripUidRegex = /::\\d+$/;\nconst eventRegistry = {}; // Events storage\nlet uidEvent = 1;\nconst customEvents = {\n  mouseenter: 'mouseover',\n  mouseleave: 'mouseout'\n};\nconst nativeEvents = new Set(['click', 'dblclick', 'mouseup', 'mousedown', 'contextmenu', 'mousewheel', 'DOMMouseScroll', 'mouseover', 'mouseout', 'mousemove', 'selectstart', 'selectend', 'keydown', 'keypress', 'keyup', 'orientationchange', 'touchstart', 'touchmove', 'touchend', 'touchcancel', 'pointerdown', 'pointermove', 'pointerup', 'pointerleave', 'pointercancel', 'gesturestart', 'gesturechange', 'gestureend', 'focus', 'blur', 'change', 'reset', 'select', 'submit', 'focusin', 'focusout', 'load', 'unload', 'beforeunload', 'resize', 'move', 'DOMContentLoaded', 'readystatechange', 'error', 'abort', 'scroll']);\n\n/**\n * Private methods\n */\n\nfunction makeEventUid(element, uid) {\n  return uid && `${uid}::${uidEvent++}` || element.uidEvent || uidEvent++;\n}\nfunction getElementEvents(element) {\n  const uid = makeEventUid(element);\n  element.uidEvent = uid;\n  eventRegistry[uid] = eventRegistry[uid] || {};\n  return eventRegistry[uid];\n}\nfunction bootstrapHandler(element, fn) {\n  return function handler(event) {\n    hydrateObj(event, {\n      delegateTarget: element\n    });\n    if (handler.oneOff) {\n      EventHandler.off(element, event.type, fn);\n    }\n    return fn.apply(element, [event]);\n  };\n}\nfunction bootstrapDelegationHandler(element, selector, fn) {\n  return function handler(event) {\n    const domElements = element.querySelectorAll(selector);\n    for (let {\n      target\n    } = event; target && target !== this; target = target.parentNode) {\n      for (const domElement of domElements) {\n        if (domElement !== target) {\n          continue;\n        }\n        hydrateObj(event, {\n          delegateTarget: target\n        });\n        if (handler.oneOff) {\n          EventHandler.off(element, event.type, selector, fn);\n        }\n        return fn.apply(target, [event]);\n      }\n    }\n  };\n}\nfunction findHandler(events, callable, delegationSelector = null) {\n  return Object.values(events).find(event => event.callable === callable && event.delegationSelector === delegationSelector);\n}\nfunction normalizeParameters(originalTypeEvent, handler, delegationFunction) {\n  const isDelegated = typeof handler === 'string';\n  // TODO: tooltip passes `false` instead of selector, so we need to check\n  const callable = isDelegated ? delegationFunction : handler || delegationFunction;\n  let typeEvent = getTypeEvent(originalTypeEvent);\n  if (!nativeEvents.has(typeEvent)) {\n    typeEvent = originalTypeEvent;\n  }\n  return [isDelegated, callable, typeEvent];\n}\nfunction addHandler(element, originalTypeEvent, handler, delegationFunction, oneOff) {\n  if (typeof originalTypeEvent !== 'string' || !element) {\n    return;\n  }\n  let [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n\n  // in case of mouseenter or mouseleave wrap the handler within a function that checks for its DOM position\n  // this prevents the handler from being dispatched the same way as mouseover or mouseout does\n  if (originalTypeEvent in customEvents) {\n    const wrapFunction = fn => {\n      return function (event) {\n        if (!event.relatedTarget || event.relatedTarget !== event.delegateTarget && !event.delegateTarget.contains(event.relatedTarget)) {\n          return fn.call(this, event);\n        }\n      };\n    };\n    callable = wrapFunction(callable);\n  }\n  const events = getElementEvents(element);\n  const handlers = events[typeEvent] || (events[typeEvent] = {});\n  const previousFunction = findHandler(handlers, callable, isDelegated ? handler : null);\n  if (previousFunction) {\n    previousFunction.oneOff = previousFunction.oneOff && oneOff;\n    return;\n  }\n  const uid = makeEventUid(callable, originalTypeEvent.replace(namespaceRegex, ''));\n  const fn = isDelegated ? bootstrapDelegationHandler(element, handler, callable) : bootstrapHandler(element, callable);\n  fn.delegationSelector = isDelegated ? handler : null;\n  fn.callable = callable;\n  fn.oneOff = oneOff;\n  fn.uidEvent = uid;\n  handlers[uid] = fn;\n  element.addEventListener(typeEvent, fn, isDelegated);\n}\nfunction removeHandler(element, events, typeEvent, handler, delegationSelector) {\n  const fn = findHandler(events[typeEvent], handler, delegationSelector);\n  if (!fn) {\n    return;\n  }\n  element.removeEventListener(typeEvent, fn, Boolean(delegationSelector));\n  delete events[typeEvent][fn.uidEvent];\n}\nfunction removeNamespacedHandlers(element, events, typeEvent, namespace) {\n  const storeElementEvent = events[typeEvent] || {};\n  for (const [handlerKey, event] of Object.entries(storeElementEvent)) {\n    if (handlerKey.includes(namespace)) {\n      removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n    }\n  }\n}\nfunction getTypeEvent(event) {\n  // allow to get the native events from namespaced events ('click.bs.button' --> 'click')\n  event = event.replace(stripNameRegex, '');\n  return customEvents[event] || event;\n}\nconst EventHandler = {\n  on(element, event, handler, delegationFunction) {\n    addHandler(element, event, handler, delegationFunction, false);\n  },\n  one(element, event, handler, delegationFunction) {\n    addHandler(element, event, handler, delegationFunction, true);\n  },\n  off(element, originalTypeEvent, handler, delegationFunction) {\n    if (typeof originalTypeEvent !== 'string' || !element) {\n      return;\n    }\n    const [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n    const inNamespace = typeEvent !== originalTypeEvent;\n    const events = getElementEvents(element);\n    const storeElementEvent = events[typeEvent] || {};\n    const isNamespace = originalTypeEvent.startsWith('.');\n    if (typeof callable !== 'undefined') {\n      // Simplest case: handler is passed, remove that listener ONLY.\n      if (!Object.keys(storeElementEvent).length) {\n        return;\n      }\n      removeHandler(element, events, typeEvent, callable, isDelegated ? handler : null);\n      return;\n    }\n    if (isNamespace) {\n      for (const elementEvent of Object.keys(events)) {\n        removeNamespacedHandlers(element, events, elementEvent, originalTypeEvent.slice(1));\n      }\n    }\n    for (const [keyHandlers, event] of Object.entries(storeElementEvent)) {\n      const handlerKey = keyHandlers.replace(stripUidRegex, '');\n      if (!inNamespace || originalTypeEvent.includes(handlerKey)) {\n        removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n      }\n    }\n  },\n  trigger(element, event, args) {\n    if (typeof event !== 'string' || !element) {\n      return null;\n    }\n    const $ = getjQuery();\n    const typeEvent = getTypeEvent(event);\n    const inNamespace = event !== typeEvent;\n    let jQueryEvent = null;\n    let bubbles = true;\n    let nativeDispatch = true;\n    let defaultPrevented = false;\n    if (inNamespace && $) {\n      jQueryEvent = $.Event(event, args);\n      $(element).trigger(jQueryEvent);\n      bubbles = !jQueryEvent.isPropagationStopped();\n      nativeDispatch = !jQueryEvent.isImmediatePropagationStopped();\n      defaultPrevented = jQueryEvent.isDefaultPrevented();\n    }\n    const evt = hydrateObj(new Event(event, {\n      bubbles,\n      cancelable: true\n    }), args);\n    if (defaultPrevented) {\n      evt.preventDefault();\n    }\n    if (nativeDispatch) {\n      element.dispatchEvent(evt);\n    }\n    if (evt.defaultPrevented && jQueryEvent) {\n      jQueryEvent.preventDefault();\n    }\n    return evt;\n  }\n};\nfunction hydrateObj(obj, meta = {}) {\n  for (const [key, value] of Object.entries(meta)) {\n    try {\n      obj[key] = value;\n    } catch (_unused) {\n      Object.defineProperty(obj, key, {\n        configurable: true,\n        get() {\n          return value;\n        }\n      });\n    }\n  }\n  return obj;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/manipulator.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nfunction normalizeData(value) {\n  if (value === 'true') {\n    return true;\n  }\n  if (value === 'false') {\n    return false;\n  }\n  if (value === Number(value).toString()) {\n    return Number(value);\n  }\n  if (value === '' || value === 'null') {\n    return null;\n  }\n  if (typeof value !== 'string') {\n    return value;\n  }\n  try {\n    return JSON.parse(decodeURIComponent(value));\n  } catch (_unused) {\n    return value;\n  }\n}\nfunction normalizeDataKey(key) {\n  return key.replace(/[A-Z]/g, chr => `-${chr.toLowerCase()}`);\n}\nconst Manipulator = {\n  setDataAttribute(element, key, value) {\n    element.setAttribute(`data-bs-${normalizeDataKey(key)}`, value);\n  },\n  removeDataAttribute(element, key) {\n    element.removeAttribute(`data-bs-${normalizeDataKey(key)}`);\n  },\n  getDataAttributes(element) {\n    if (!element) {\n      return {};\n    }\n    const attributes = {};\n    const bsKeys = Object.keys(element.dataset).filter(key => key.startsWith('bs') && !key.startsWith('bsConfig'));\n    for (const key of bsKeys) {\n      let pureKey = key.replace(/^bs/, '');\n      pureKey = pureKey.charAt(0).toLowerCase() + pureKey.slice(1, pureKey.length);\n      attributes[pureKey] = normalizeData(element.dataset[key]);\n    }\n    return attributes;\n  },\n  getDataAttribute(element, key) {\n    return normalizeData(element.getAttribute(`data-bs-${normalizeDataKey(key)}`));\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/config.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Class definition\n */\n\nclass Config {\n  // Getters\n  static get Default() {\n    return {};\n  }\n  static get DefaultType() {\n    return {};\n  }\n  static get NAME() {\n    throw new Error('You have to implement the static method \"NAME\", for each component!');\n  }\n  _getConfig(config) {\n    config = this._mergeConfigObj(config);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n  _configAfterMerge(config) {\n    return config;\n  }\n  _mergeConfigObj(config, element) {\n    const jsonConfig = isElement(element) ? Manipulator.getDataAttribute(element, 'config') : {}; // try to parse\n\n    return {\n      ...this.constructor.Default,\n      ...(typeof jsonConfig === 'object' ? jsonConfig : {}),\n      ...(isElement(element) ? Manipulator.getDataAttributes(element) : {}),\n      ...(typeof config === 'object' ? config : {})\n    };\n  }\n  _typeCheckConfig(config, configTypes = this.constructor.DefaultType) {\n    for (const [property, expectedTypes] of Object.entries(configTypes)) {\n      const value = config[property];\n      const valueType = isElement(value) ? 'element' : toType(value);\n      if (!new RegExp(expectedTypes).test(valueType)) {\n        throw new TypeError(`${this.constructor.NAME.toUpperCase()}: Option \"${property}\" provided type \"${valueType}\" but expected type \"${expectedTypes}\".`);\n      }\n    }\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap base-component.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst VERSION = '5.3.2';\n\n/**\n * Class definition\n */\n\nclass BaseComponent extends Config {\n  constructor(element, config) {\n    super();\n    element = getElement(element);\n    if (!element) {\n      return;\n    }\n    this._element = element;\n    this._config = this._getConfig(config);\n    Data.set(this._element, this.constructor.DATA_KEY, this);\n  }\n\n  // Public\n  dispose() {\n    Data.remove(this._element, this.constructor.DATA_KEY);\n    EventHandler.off(this._element, this.constructor.EVENT_KEY);\n    for (const propertyName of Object.getOwnPropertyNames(this)) {\n      this[propertyName] = null;\n    }\n  }\n  _queueCallback(callback, element, isAnimated = true) {\n    executeAfterTransition(callback, element, isAnimated);\n  }\n  _getConfig(config) {\n    config = this._mergeConfigObj(config, this._element);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n\n  // Static\n  static getInstance(element) {\n    return Data.get(getElement(element), this.DATA_KEY);\n  }\n  static getOrCreateInstance(element, config = {}) {\n    return this.getInstance(element) || new this(element, typeof config === 'object' ? config : null);\n  }\n  static get VERSION() {\n    return VERSION;\n  }\n  static get DATA_KEY() {\n    return `bs.${this.NAME}`;\n  }\n  static get EVENT_KEY() {\n    return `.${this.DATA_KEY}`;\n  }\n  static eventName(name) {\n    return `${name}${this.EVENT_KEY}`;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/selector-engine.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst getSelector = element => {\n  let selector = element.getAttribute('data-bs-target');\n  if (!selector || selector === '#') {\n    let hrefAttribute = element.getAttribute('href');\n\n    // The only valid content that could double as a selector are IDs or classes,\n    // so everything starting with `#` or `.`. If a \"real\" URL is used as the selector,\n    // `document.querySelector` will rightfully complain it is invalid.\n    // See https://github.com/twbs/bootstrap/issues/32273\n    if (!hrefAttribute || !hrefAttribute.includes('#') && !hrefAttribute.startsWith('.')) {\n      return null;\n    }\n\n    // Just in case some CMS puts out a full URL with the anchor appended\n    if (hrefAttribute.includes('#') && !hrefAttribute.startsWith('#')) {\n      hrefAttribute = `#${hrefAttribute.split('#')[1]}`;\n    }\n    selector = hrefAttribute && hrefAttribute !== '#' ? parseSelector(hrefAttribute.trim()) : null;\n  }\n  return selector;\n};\nconst SelectorEngine = {\n  find(selector, element = document.documentElement) {\n    return [].concat(...Element.prototype.querySelectorAll.call(element, selector));\n  },\n  findOne(selector, element = document.documentElement) {\n    return Element.prototype.querySelector.call(element, selector);\n  },\n  children(element, selector) {\n    return [].concat(...element.children).filter(child => child.matches(selector));\n  },\n  parents(element, selector) {\n    const parents = [];\n    let ancestor = element.parentNode.closest(selector);\n    while (ancestor) {\n      parents.push(ancestor);\n      ancestor = ancestor.parentNode.closest(selector);\n    }\n    return parents;\n  },\n  prev(element, selector) {\n    let previous = element.previousElementSibling;\n    while (previous) {\n      if (previous.matches(selector)) {\n        return [previous];\n      }\n      previous = previous.previousElementSibling;\n    }\n    return [];\n  },\n  // TODO: this is now unused; remove later along with prev()\n  next(element, selector) {\n    let next = element.nextElementSibling;\n    while (next) {\n      if (next.matches(selector)) {\n        return [next];\n      }\n      next = next.nextElementSibling;\n    }\n    return [];\n  },\n  focusableChildren(element) {\n    const focusables = ['a', 'button', 'input', 'textarea', 'select', 'details', '[tabindex]', '[contenteditable=\"true\"]'].map(selector => `${selector}:not([tabindex^=\"-\"])`).join(',');\n    return this.find(focusables, element).filter(el => !isDisabled(el) && isVisible(el));\n  },\n  getSelectorFromElement(element) {\n    const selector = getSelector(element);\n    if (selector) {\n      return SelectorEngine.findOne(selector) ? selector : null;\n    }\n    return null;\n  },\n  getElementFromSelector(element) {\n    const selector = getSelector(element);\n    return selector ? SelectorEngine.findOne(selector) : null;\n  },\n  getMultipleElementsFromSelector(element) {\n    const selector = getSelector(element);\n    return selector ? SelectorEngine.find(selector) : [];\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/component-functions.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst enableDismissTrigger = (component, method = 'hide') => {\n  const clickEvent = `click.dismiss${component.EVENT_KEY}`;\n  const name = component.NAME;\n  EventHandler.on(document, clickEvent, `[data-bs-dismiss=\"${name}\"]`, function (event) {\n    if (['A', 'AREA'].includes(this.tagName)) {\n      event.preventDefault();\n    }\n    if (isDisabled(this)) {\n      return;\n    }\n    const target = SelectorEngine.getElementFromSelector(this) || this.closest(`.${name}`);\n    const instance = component.getOrCreateInstance(target);\n\n    // Method argument is left, for Alert and only, as it doesn't implement the 'hide' method\n    instance[method]();\n  });\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap alert.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$f = 'alert';\nconst DATA_KEY$a = 'bs.alert';\nconst EVENT_KEY$b = `.${DATA_KEY$a}`;\nconst EVENT_CLOSE = `close${EVENT_KEY$b}`;\nconst EVENT_CLOSED = `closed${EVENT_KEY$b}`;\nconst CLASS_NAME_FADE$5 = 'fade';\nconst CLASS_NAME_SHOW$8 = 'show';\n\n/**\n * Class definition\n */\n\nclass Alert extends BaseComponent {\n  // Getters\n  static get NAME() {\n    return NAME$f;\n  }\n\n  // Public\n  close() {\n    const closeEvent = EventHandler.trigger(this._element, EVENT_CLOSE);\n    if (closeEvent.defaultPrevented) {\n      return;\n    }\n    this._element.classList.remove(CLASS_NAME_SHOW$8);\n    const isAnimated = this._element.classList.contains(CLASS_NAME_FADE$5);\n    this._queueCallback(() => this._destroyElement(), this._element, isAnimated);\n  }\n\n  // Private\n  _destroyElement() {\n    this._element.remove();\n    EventHandler.trigger(this._element, EVENT_CLOSED);\n    this.dispose();\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Alert.getOrCreateInstance(this);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](this);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nenableDismissTrigger(Alert, 'close');\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Alert);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap button.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$e = 'button';\nconst DATA_KEY$9 = 'bs.button';\nconst EVENT_KEY$a = `.${DATA_KEY$9}`;\nconst DATA_API_KEY$6 = '.data-api';\nconst CLASS_NAME_ACTIVE$3 = 'active';\nconst SELECTOR_DATA_TOGGLE$5 = '[data-bs-toggle=\"button\"]';\nconst EVENT_CLICK_DATA_API$6 = `click${EVENT_KEY$a}${DATA_API_KEY$6}`;\n\n/**\n * Class definition\n */\n\nclass Button extends BaseComponent {\n  // Getters\n  static get NAME() {\n    return NAME$e;\n  }\n\n  // Public\n  toggle() {\n    // Toggle class and sync the `aria-pressed` attribute with the return value of the `.toggle()` method\n    this._element.setAttribute('aria-pressed', this._element.classList.toggle(CLASS_NAME_ACTIVE$3));\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Button.getOrCreateInstance(this);\n      if (config === 'toggle') {\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$6, SELECTOR_DATA_TOGGLE$5, event => {\n  event.preventDefault();\n  const button = event.target.closest(SELECTOR_DATA_TOGGLE$5);\n  const data = Button.getOrCreateInstance(button);\n  data.toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Button);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/swipe.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$d = 'swipe';\nconst EVENT_KEY$9 = '.bs.swipe';\nconst EVENT_TOUCHSTART = `touchstart${EVENT_KEY$9}`;\nconst EVENT_TOUCHMOVE = `touchmove${EVENT_KEY$9}`;\nconst EVENT_TOUCHEND = `touchend${EVENT_KEY$9}`;\nconst EVENT_POINTERDOWN = `pointerdown${EVENT_KEY$9}`;\nconst EVENT_POINTERUP = `pointerup${EVENT_KEY$9}`;\nconst POINTER_TYPE_TOUCH = 'touch';\nconst POINTER_TYPE_PEN = 'pen';\nconst CLASS_NAME_POINTER_EVENT = 'pointer-event';\nconst SWIPE_THRESHOLD = 40;\nconst Default$c = {\n  endCallback: null,\n  leftCallback: null,\n  rightCallback: null\n};\nconst DefaultType$c = {\n  endCallback: '(function|null)',\n  leftCallback: '(function|null)',\n  rightCallback: '(function|null)'\n};\n\n/**\n * Class definition\n */\n\nclass Swipe extends Config {\n  constructor(element, config) {\n    super();\n    this._element = element;\n    if (!element || !Swipe.isSupported()) {\n      return;\n    }\n    this._config = this._getConfig(config);\n    this._deltaX = 0;\n    this._supportPointerEvents = Boolean(window.PointerEvent);\n    this._initEvents();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$c;\n  }\n  static get DefaultType() {\n    return DefaultType$c;\n  }\n  static get NAME() {\n    return NAME$d;\n  }\n\n  // Public\n  dispose() {\n    EventHandler.off(this._element, EVENT_KEY$9);\n  }\n\n  // Private\n  _start(event) {\n    if (!this._supportPointerEvents) {\n      this._deltaX = event.touches[0].clientX;\n      return;\n    }\n    if (this._eventIsPointerPenTouch(event)) {\n      this._deltaX = event.clientX;\n    }\n  }\n  _end(event) {\n    if (this._eventIsPointerPenTouch(event)) {\n      this._deltaX = event.clientX - this._deltaX;\n    }\n    this._handleSwipe();\n    execute(this._config.endCallback);\n  }\n  _move(event) {\n    this._deltaX = event.touches && event.touches.length > 1 ? 0 : event.touches[0].clientX - this._deltaX;\n  }\n  _handleSwipe() {\n    const absDeltaX = Math.abs(this._deltaX);\n    if (absDeltaX <= SWIPE_THRESHOLD) {\n      return;\n    }\n    const direction = absDeltaX / this._deltaX;\n    this._deltaX = 0;\n    if (!direction) {\n      return;\n    }\n    execute(direction > 0 ? this._config.rightCallback : this._config.leftCallback);\n  }\n  _initEvents() {\n    if (this._supportPointerEvents) {\n      EventHandler.on(this._element, EVENT_POINTERDOWN, event => this._start(event));\n      EventHandler.on(this._element, EVENT_POINTERUP, event => this._end(event));\n      this._element.classList.add(CLASS_NAME_POINTER_EVENT);\n    } else {\n      EventHandler.on(this._element, EVENT_TOUCHSTART, event => this._start(event));\n      EventHandler.on(this._element, EVENT_TOUCHMOVE, event => this._move(event));\n      EventHandler.on(this._element, EVENT_TOUCHEND, event => this._end(event));\n    }\n  }\n  _eventIsPointerPenTouch(event) {\n    return this._supportPointerEvents && (event.pointerType === POINTER_TYPE_PEN || event.pointerType === POINTER_TYPE_TOUCH);\n  }\n\n  // Static\n  static isSupported() {\n    return 'ontouchstart' in document.documentElement || navigator.maxTouchPoints > 0;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap carousel.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$c = 'carousel';\nconst DATA_KEY$8 = 'bs.carousel';\nconst EVENT_KEY$8 = `.${DATA_KEY$8}`;\nconst DATA_API_KEY$5 = '.data-api';\nconst ARROW_LEFT_KEY$1 = 'ArrowLeft';\nconst ARROW_RIGHT_KEY$1 = 'ArrowRight';\nconst TOUCHEVENT_COMPAT_WAIT = 500; // Time for mouse compat events to fire after touch\n\nconst ORDER_NEXT = 'next';\nconst ORDER_PREV = 'prev';\nconst DIRECTION_LEFT = 'left';\nconst DIRECTION_RIGHT = 'right';\nconst EVENT_SLIDE = `slide${EVENT_KEY$8}`;\nconst EVENT_SLID = `slid${EVENT_KEY$8}`;\nconst EVENT_KEYDOWN$1 = `keydown${EVENT_KEY$8}`;\nconst EVENT_MOUSEENTER$1 = `mouseenter${EVENT_KEY$8}`;\nconst EVENT_MOUSELEAVE$1 = `mouseleave${EVENT_KEY$8}`;\nconst EVENT_DRAG_START = `dragstart${EVENT_KEY$8}`;\nconst EVENT_LOAD_DATA_API$3 = `load${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst EVENT_CLICK_DATA_API$5 = `click${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst CLASS_NAME_CAROUSEL = 'carousel';\nconst CLASS_NAME_ACTIVE$2 = 'active';\nconst CLASS_NAME_SLIDE = 'slide';\nconst CLASS_NAME_END = 'carousel-item-end';\nconst CLASS_NAME_START = 'carousel-item-start';\nconst CLASS_NAME_NEXT = 'carousel-item-next';\nconst CLASS_NAME_PREV = 'carousel-item-prev';\nconst SELECTOR_ACTIVE = '.active';\nconst SELECTOR_ITEM = '.carousel-item';\nconst SELECTOR_ACTIVE_ITEM = SELECTOR_ACTIVE + SELECTOR_ITEM;\nconst SELECTOR_ITEM_IMG = '.carousel-item img';\nconst SELECTOR_INDICATORS = '.carousel-indicators';\nconst SELECTOR_DATA_SLIDE = '[data-bs-slide], [data-bs-slide-to]';\nconst SELECTOR_DATA_RIDE = '[data-bs-ride=\"carousel\"]';\nconst KEY_TO_DIRECTION = {\n  [ARROW_LEFT_KEY$1]: DIRECTION_RIGHT,\n  [ARROW_RIGHT_KEY$1]: DIRECTION_LEFT\n};\nconst Default$b = {\n  interval: 5000,\n  keyboard: true,\n  pause: 'hover',\n  ride: false,\n  touch: true,\n  wrap: true\n};\nconst DefaultType$b = {\n  interval: '(number|boolean)',\n  // TODO:v6 remove boolean support\n  keyboard: 'boolean',\n  pause: '(string|boolean)',\n  ride: '(boolean|string)',\n  touch: 'boolean',\n  wrap: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Carousel extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._interval = null;\n    this._activeElement = null;\n    this._isSliding = false;\n    this.touchTimeout = null;\n    this._swipeHelper = null;\n    this._indicatorsElement = SelectorEngine.findOne(SELECTOR_INDICATORS, this._element);\n    this._addEventListeners();\n    if (this._config.ride === CLASS_NAME_CAROUSEL) {\n      this.cycle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$b;\n  }\n  static get DefaultType() {\n    return DefaultType$b;\n  }\n  static get NAME() {\n    return NAME$c;\n  }\n\n  // Public\n  next() {\n    this._slide(ORDER_NEXT);\n  }\n  nextWhenVisible() {\n    // FIXME TODO use `document.visibilityState`\n    // Don't call next when the page isn't visible\n    // or the carousel or its parent isn't visible\n    if (!document.hidden && isVisible(this._element)) {\n      this.next();\n    }\n  }\n  prev() {\n    this._slide(ORDER_PREV);\n  }\n  pause() {\n    if (this._isSliding) {\n      triggerTransitionEnd(this._element);\n    }\n    this._clearInterval();\n  }\n  cycle() {\n    this._clearInterval();\n    this._updateInterval();\n    this._interval = setInterval(() => this.nextWhenVisible(), this._config.interval);\n  }\n  _maybeEnableCycle() {\n    if (!this._config.ride) {\n      return;\n    }\n    if (this._isSliding) {\n      EventHandler.one(this._element, EVENT_SLID, () => this.cycle());\n      return;\n    }\n    this.cycle();\n  }\n  to(index) {\n    const items = this._getItems();\n    if (index > items.length - 1 || index < 0) {\n      return;\n    }\n    if (this._isSliding) {\n      EventHandler.one(this._element, EVENT_SLID, () => this.to(index));\n      return;\n    }\n    const activeIndex = this._getItemIndex(this._getActive());\n    if (activeIndex === index) {\n      return;\n    }\n    const order = index > activeIndex ? ORDER_NEXT : ORDER_PREV;\n    this._slide(order, items[index]);\n  }\n  dispose() {\n    if (this._swipeHelper) {\n      this._swipeHelper.dispose();\n    }\n    super.dispose();\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    config.defaultInterval = config.interval;\n    return config;\n  }\n  _addEventListeners() {\n    if (this._config.keyboard) {\n      EventHandler.on(this._element, EVENT_KEYDOWN$1, event => this._keydown(event));\n    }\n    if (this._config.pause === 'hover') {\n      EventHandler.on(this._element, EVENT_MOUSEENTER$1, () => this.pause());\n      EventHandler.on(this._element, EVENT_MOUSELEAVE$1, () => this._maybeEnableCycle());\n    }\n    if (this._config.touch && Swipe.isSupported()) {\n      this._addTouchEventListeners();\n    }\n  }\n  _addTouchEventListeners() {\n    for (const img of SelectorEngine.find(SELECTOR_ITEM_IMG, this._element)) {\n      EventHandler.on(img, EVENT_DRAG_START, event => event.preventDefault());\n    }\n    const endCallBack = () => {\n      if (this._config.pause !== 'hover') {\n        return;\n      }\n\n      // If it's a touch-enabled device, mouseenter/leave are fired as\n      // part of the mouse compatibility events on first tap - the carousel\n      // would stop cycling until user tapped out of it;\n      // here, we listen for touchend, explicitly pause the carousel\n      // (as if it's the second time we tap on it, mouseenter compat event\n      // is NOT fired) and after a timeout (to allow for mouse compatibility\n      // events to fire) we explicitly restart cycling\n\n      this.pause();\n      if (this.touchTimeout) {\n        clearTimeout(this.touchTimeout);\n      }\n      this.touchTimeout = setTimeout(() => this._maybeEnableCycle(), TOUCHEVENT_COMPAT_WAIT + this._config.interval);\n    };\n    const swipeConfig = {\n      leftCallback: () => this._slide(this._directionToOrder(DIRECTION_LEFT)),\n      rightCallback: () => this._slide(this._directionToOrder(DIRECTION_RIGHT)),\n      endCallback: endCallBack\n    };\n    this._swipeHelper = new Swipe(this._element, swipeConfig);\n  }\n  _keydown(event) {\n    if (/input|textarea/i.test(event.target.tagName)) {\n      return;\n    }\n    const direction = KEY_TO_DIRECTION[event.key];\n    if (direction) {\n      event.preventDefault();\n      this._slide(this._directionToOrder(direction));\n    }\n  }\n  _getItemIndex(element) {\n    return this._getItems().indexOf(element);\n  }\n  _setActiveIndicatorElement(index) {\n    if (!this._indicatorsElement) {\n      return;\n    }\n    const activeIndicator = SelectorEngine.findOne(SELECTOR_ACTIVE, this._indicatorsElement);\n    activeIndicator.classList.remove(CLASS_NAME_ACTIVE$2);\n    activeIndicator.removeAttribute('aria-current');\n    const newActiveIndicator = SelectorEngine.findOne(`[data-bs-slide-to=\"${index}\"]`, this._indicatorsElement);\n    if (newActiveIndicator) {\n      newActiveIndicator.classList.add(CLASS_NAME_ACTIVE$2);\n      newActiveIndicator.setAttribute('aria-current', 'true');\n    }\n  }\n  _updateInterval() {\n    const element = this._activeElement || this._getActive();\n    if (!element) {\n      return;\n    }\n    const elementInterval = Number.parseInt(element.getAttribute('data-bs-interval'), 10);\n    this._config.interval = elementInterval || this._config.defaultInterval;\n  }\n  _slide(order, element = null) {\n    if (this._isSliding) {\n      return;\n    }\n    const activeElement = this._getActive();\n    const isNext = order === ORDER_NEXT;\n    const nextElement = element || getNextActiveElement(this._getItems(), activeElement, isNext, this._config.wrap);\n    if (nextElement === activeElement) {\n      return;\n    }\n    const nextElementIndex = this._getItemIndex(nextElement);\n    const triggerEvent = eventName => {\n      return EventHandler.trigger(this._element, eventName, {\n        relatedTarget: nextElement,\n        direction: this._orderToDirection(order),\n        from: this._getItemIndex(activeElement),\n        to: nextElementIndex\n      });\n    };\n    const slideEvent = triggerEvent(EVENT_SLIDE);\n    if (slideEvent.defaultPrevented) {\n      return;\n    }\n    if (!activeElement || !nextElement) {\n      // Some weirdness is happening, so we bail\n      // TODO: change tests that use empty divs to avoid this check\n      return;\n    }\n    const isCycling = Boolean(this._interval);\n    this.pause();\n    this._isSliding = true;\n    this._setActiveIndicatorElement(nextElementIndex);\n    this._activeElement = nextElement;\n    const directionalClassName = isNext ? CLASS_NAME_START : CLASS_NAME_END;\n    const orderClassName = isNext ? CLASS_NAME_NEXT : CLASS_NAME_PREV;\n    nextElement.classList.add(orderClassName);\n    reflow(nextElement);\n    activeElement.classList.add(directionalClassName);\n    nextElement.classList.add(directionalClassName);\n    const completeCallBack = () => {\n      nextElement.classList.remove(directionalClassName, orderClassName);\n      nextElement.classList.add(CLASS_NAME_ACTIVE$2);\n      activeElement.classList.remove(CLASS_NAME_ACTIVE$2, orderClassName, directionalClassName);\n      this._isSliding = false;\n      triggerEvent(EVENT_SLID);\n    };\n    this._queueCallback(completeCallBack, activeElement, this._isAnimated());\n    if (isCycling) {\n      this.cycle();\n    }\n  }\n  _isAnimated() {\n    return this._element.classList.contains(CLASS_NAME_SLIDE);\n  }\n  _getActive() {\n    return SelectorEngine.findOne(SELECTOR_ACTIVE_ITEM, this._element);\n  }\n  _getItems() {\n    return SelectorEngine.find(SELECTOR_ITEM, this._element);\n  }\n  _clearInterval() {\n    if (this._interval) {\n      clearInterval(this._interval);\n      this._interval = null;\n    }\n  }\n  _directionToOrder(direction) {\n    if (isRTL()) {\n      return direction === DIRECTION_LEFT ? ORDER_PREV : ORDER_NEXT;\n    }\n    return direction === DIRECTION_LEFT ? ORDER_NEXT : ORDER_PREV;\n  }\n  _orderToDirection(order) {\n    if (isRTL()) {\n      return order === ORDER_PREV ? DIRECTION_LEFT : DIRECTION_RIGHT;\n    }\n    return order === ORDER_PREV ? DIRECTION_RIGHT : DIRECTION_LEFT;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Carousel.getOrCreateInstance(this, config);\n      if (typeof config === 'number') {\n        data.to(config);\n        return;\n      }\n      if (typeof config === 'string') {\n        if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$5, SELECTOR_DATA_SLIDE, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (!target || !target.classList.contains(CLASS_NAME_CAROUSEL)) {\n    return;\n  }\n  event.preventDefault();\n  const carousel = Carousel.getOrCreateInstance(target);\n  const slideIndex = this.getAttribute('data-bs-slide-to');\n  if (slideIndex) {\n    carousel.to(slideIndex);\n    carousel._maybeEnableCycle();\n    return;\n  }\n  if (Manipulator.getDataAttribute(this, 'slide') === 'next') {\n    carousel.next();\n    carousel._maybeEnableCycle();\n    return;\n  }\n  carousel.prev();\n  carousel._maybeEnableCycle();\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$3, () => {\n  const carousels = SelectorEngine.find(SELECTOR_DATA_RIDE);\n  for (const carousel of carousels) {\n    Carousel.getOrCreateInstance(carousel);\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Carousel);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap collapse.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$b = 'collapse';\nconst DATA_KEY$7 = 'bs.collapse';\nconst EVENT_KEY$7 = `.${DATA_KEY$7}`;\nconst DATA_API_KEY$4 = '.data-api';\nconst EVENT_SHOW$6 = `show${EVENT_KEY$7}`;\nconst EVENT_SHOWN$6 = `shown${EVENT_KEY$7}`;\nconst EVENT_HIDE$6 = `hide${EVENT_KEY$7}`;\nconst EVENT_HIDDEN$6 = `hidden${EVENT_KEY$7}`;\nconst EVENT_CLICK_DATA_API$4 = `click${EVENT_KEY$7}${DATA_API_KEY$4}`;\nconst CLASS_NAME_SHOW$7 = 'show';\nconst CLASS_NAME_COLLAPSE = 'collapse';\nconst CLASS_NAME_COLLAPSING = 'collapsing';\nconst CLASS_NAME_COLLAPSED = 'collapsed';\nconst CLASS_NAME_DEEPER_CHILDREN = `:scope .${CLASS_NAME_COLLAPSE} .${CLASS_NAME_COLLAPSE}`;\nconst CLASS_NAME_HORIZONTAL = 'collapse-horizontal';\nconst WIDTH = 'width';\nconst HEIGHT = 'height';\nconst SELECTOR_ACTIVES = '.collapse.show, .collapse.collapsing';\nconst SELECTOR_DATA_TOGGLE$4 = '[data-bs-toggle=\"collapse\"]';\nconst Default$a = {\n  parent: null,\n  toggle: true\n};\nconst DefaultType$a = {\n  parent: '(null|element)',\n  toggle: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Collapse extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._isTransitioning = false;\n    this._triggerArray = [];\n    const toggleList = SelectorEngine.find(SELECTOR_DATA_TOGGLE$4);\n    for (const elem of toggleList) {\n      const selector = SelectorEngine.getSelectorFromElement(elem);\n      const filterElement = SelectorEngine.find(selector).filter(foundElement => foundElement === this._element);\n      if (selector !== null && filterElement.length) {\n        this._triggerArray.push(elem);\n      }\n    }\n    this._initializeChildren();\n    if (!this._config.parent) {\n      this._addAriaAndCollapsedClass(this._triggerArray, this._isShown());\n    }\n    if (this._config.toggle) {\n      this.toggle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$a;\n  }\n  static get DefaultType() {\n    return DefaultType$a;\n  }\n  static get NAME() {\n    return NAME$b;\n  }\n\n  // Public\n  toggle() {\n    if (this._isShown()) {\n      this.hide();\n    } else {\n      this.show();\n    }\n  }\n  show() {\n    if (this._isTransitioning || this._isShown()) {\n      return;\n    }\n    let activeChildren = [];\n\n    // find active children\n    if (this._config.parent) {\n      activeChildren = this._getFirstLevelChildren(SELECTOR_ACTIVES).filter(element => element !== this._element).map(element => Collapse.getOrCreateInstance(element, {\n        toggle: false\n      }));\n    }\n    if (activeChildren.length && activeChildren[0]._isTransitioning) {\n      return;\n    }\n    const startEvent = EventHandler.trigger(this._element, EVENT_SHOW$6);\n    if (startEvent.defaultPrevented) {\n      return;\n    }\n    for (const activeInstance of activeChildren) {\n      activeInstance.hide();\n    }\n    const dimension = this._getDimension();\n    this._element.classList.remove(CLASS_NAME_COLLAPSE);\n    this._element.classList.add(CLASS_NAME_COLLAPSING);\n    this._element.style[dimension] = 0;\n    this._addAriaAndCollapsedClass(this._triggerArray, true);\n    this._isTransitioning = true;\n    const complete = () => {\n      this._isTransitioning = false;\n      this._element.classList.remove(CLASS_NAME_COLLAPSING);\n      this._element.classList.add(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n      this._element.style[dimension] = '';\n      EventHandler.trigger(this._element, EVENT_SHOWN$6);\n    };\n    const capitalizedDimension = dimension[0].toUpperCase() + dimension.slice(1);\n    const scrollSize = `scroll${capitalizedDimension}`;\n    this._queueCallback(complete, this._element, true);\n    this._element.style[dimension] = `${this._element[scrollSize]}px`;\n  }\n  hide() {\n    if (this._isTransitioning || !this._isShown()) {\n      return;\n    }\n    const startEvent = EventHandler.trigger(this._element, EVENT_HIDE$6);\n    if (startEvent.defaultPrevented) {\n      return;\n    }\n    const dimension = this._getDimension();\n    this._element.style[dimension] = `${this._element.getBoundingClientRect()[dimension]}px`;\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_COLLAPSING);\n    this._element.classList.remove(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n    for (const trigger of this._triggerArray) {\n      const element = SelectorEngine.getElementFromSelector(trigger);\n      if (element && !this._isShown(element)) {\n        this._addAriaAndCollapsedClass([trigger], false);\n      }\n    }\n    this._isTransitioning = true;\n    const complete = () => {\n      this._isTransitioning = false;\n      this._element.classList.remove(CLASS_NAME_COLLAPSING);\n      this._element.classList.add(CLASS_NAME_COLLAPSE);\n      EventHandler.trigger(this._element, EVENT_HIDDEN$6);\n    };\n    this._element.style[dimension] = '';\n    this._queueCallback(complete, this._element, true);\n  }\n  _isShown(element = this._element) {\n    return element.classList.contains(CLASS_NAME_SHOW$7);\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    config.toggle = Boolean(config.toggle); // Coerce string values\n    config.parent = getElement(config.parent);\n    return config;\n  }\n  _getDimension() {\n    return this._element.classList.contains(CLASS_NAME_HORIZONTAL) ? WIDTH : HEIGHT;\n  }\n  _initializeChildren() {\n    if (!this._config.parent) {\n      return;\n    }\n    const children = this._getFirstLevelChildren(SELECTOR_DATA_TOGGLE$4);\n    for (const element of children) {\n      const selected = SelectorEngine.getElementFromSelector(element);\n      if (selected) {\n        this._addAriaAndCollapsedClass([element], this._isShown(selected));\n      }\n    }\n  }\n  _getFirstLevelChildren(selector) {\n    const children = SelectorEngine.find(CLASS_NAME_DEEPER_CHILDREN, this._config.parent);\n    // remove children if greater depth\n    return SelectorEngine.find(selector, this._config.parent).filter(element => !children.includes(element));\n  }\n  _addAriaAndCollapsedClass(triggerArray, isOpen) {\n    if (!triggerArray.length) {\n      return;\n    }\n    for (const element of triggerArray) {\n      element.classList.toggle(CLASS_NAME_COLLAPSED, !isOpen);\n      element.setAttribute('aria-expanded', isOpen);\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    const _config = {};\n    if (typeof config === 'string' && /show|hide/.test(config)) {\n      _config.toggle = false;\n    }\n    return this.each(function () {\n      const data = Collapse.getOrCreateInstance(this, _config);\n      if (typeof config === 'string') {\n        if (typeof data[config] === 'undefined') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$4, SELECTOR_DATA_TOGGLE$4, function (event) {\n  // preventDefault only for <a> elements (which change the URL) not inside the collapsible element\n  if (event.target.tagName === 'A' || event.delegateTarget && event.delegateTarget.tagName === 'A') {\n    event.preventDefault();\n  }\n  for (const element of SelectorEngine.getMultipleElementsFromSelector(this)) {\n    Collapse.getOrCreateInstance(element, {\n      toggle: false\n    }).toggle();\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Collapse);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dropdown.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$a = 'dropdown';\nconst DATA_KEY$6 = 'bs.dropdown';\nconst EVENT_KEY$6 = `.${DATA_KEY$6}`;\nconst DATA_API_KEY$3 = '.data-api';\nconst ESCAPE_KEY$2 = 'Escape';\nconst TAB_KEY$1 = 'Tab';\nconst ARROW_UP_KEY$1 = 'ArrowUp';\nconst ARROW_DOWN_KEY$1 = 'ArrowDown';\nconst RIGHT_MOUSE_BUTTON = 2; // MouseEvent.button value for the secondary button, usually the right button\n\nconst EVENT_HIDE$5 = `hide${EVENT_KEY$6}`;\nconst EVENT_HIDDEN$5 = `hidden${EVENT_KEY$6}`;\nconst EVENT_SHOW$5 = `show${EVENT_KEY$6}`;\nconst EVENT_SHOWN$5 = `shown${EVENT_KEY$6}`;\nconst EVENT_CLICK_DATA_API$3 = `click${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYDOWN_DATA_API = `keydown${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYUP_DATA_API = `keyup${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst CLASS_NAME_SHOW$6 = 'show';\nconst CLASS_NAME_DROPUP = 'dropup';\nconst CLASS_NAME_DROPEND = 'dropend';\nconst CLASS_NAME_DROPSTART = 'dropstart';\nconst CLASS_NAME_DROPUP_CENTER = 'dropup-center';\nconst CLASS_NAME_DROPDOWN_CENTER = 'dropdown-center';\nconst SELECTOR_DATA_TOGGLE$3 = '[data-bs-toggle=\"dropdown\"]:not(.disabled):not(:disabled)';\nconst SELECTOR_DATA_TOGGLE_SHOWN = `${SELECTOR_DATA_TOGGLE$3}.${CLASS_NAME_SHOW$6}`;\nconst SELECTOR_MENU = '.dropdown-menu';\nconst SELECTOR_NAVBAR = '.navbar';\nconst SELECTOR_NAVBAR_NAV = '.navbar-nav';\nconst SELECTOR_VISIBLE_ITEMS = '.dropdown-menu .dropdown-item:not(.disabled):not(:disabled)';\nconst PLACEMENT_TOP = isRTL() ? 'top-end' : 'top-start';\nconst PLACEMENT_TOPEND = isRTL() ? 'top-start' : 'top-end';\nconst PLACEMENT_BOTTOM = isRTL() ? 'bottom-end' : 'bottom-start';\nconst PLACEMENT_BOTTOMEND = isRTL() ? 'bottom-start' : 'bottom-end';\nconst PLACEMENT_RIGHT = isRTL() ? 'left-start' : 'right-start';\nconst PLACEMENT_LEFT = isRTL() ? 'right-start' : 'left-start';\nconst PLACEMENT_TOPCENTER = 'top';\nconst PLACEMENT_BOTTOMCENTER = 'bottom';\nconst Default$9 = {\n  autoClose: true,\n  boundary: 'clippingParents',\n  display: 'dynamic',\n  offset: [0, 2],\n  popperConfig: null,\n  reference: 'toggle'\n};\nconst DefaultType$9 = {\n  autoClose: '(boolean|string)',\n  boundary: '(string|element)',\n  display: 'string',\n  offset: '(array|string|function)',\n  popperConfig: '(null|object|function)',\n  reference: '(string|element|object)'\n};\n\n/**\n * Class definition\n */\n\nclass Dropdown extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._popper = null;\n    this._parent = this._element.parentNode; // dropdown wrapper\n    // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n    this._menu = SelectorEngine.next(this._element, SELECTOR_MENU)[0] || SelectorEngine.prev(this._element, SELECTOR_MENU)[0] || SelectorEngine.findOne(SELECTOR_MENU, this._parent);\n    this._inNavbar = this._detectNavbar();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$9;\n  }\n  static get DefaultType() {\n    return DefaultType$9;\n  }\n  static get NAME() {\n    return NAME$a;\n  }\n\n  // Public\n  toggle() {\n    return this._isShown() ? this.hide() : this.show();\n  }\n  show() {\n    if (isDisabled(this._element) || this._isShown()) {\n      return;\n    }\n    const relatedTarget = {\n      relatedTarget: this._element\n    };\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$5, relatedTarget);\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._createPopper();\n\n    // If this is a touch-enabled device we add extra\n    // empty mouseover listeners to the body's immediate children;\n    // only needed because of broken event delegation on iOS\n    // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n    if ('ontouchstart' in document.documentElement && !this._parent.closest(SELECTOR_NAVBAR_NAV)) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.on(element, 'mouseover', noop);\n      }\n    }\n    this._element.focus();\n    this._element.setAttribute('aria-expanded', true);\n    this._menu.classList.add(CLASS_NAME_SHOW$6);\n    this._element.classList.add(CLASS_NAME_SHOW$6);\n    EventHandler.trigger(this._element, EVENT_SHOWN$5, relatedTarget);\n  }\n  hide() {\n    if (isDisabled(this._element) || !this._isShown()) {\n      return;\n    }\n    const relatedTarget = {\n      relatedTarget: this._element\n    };\n    this._completeHide(relatedTarget);\n  }\n  dispose() {\n    if (this._popper) {\n      this._popper.destroy();\n    }\n    super.dispose();\n  }\n  update() {\n    this._inNavbar = this._detectNavbar();\n    if (this._popper) {\n      this._popper.update();\n    }\n  }\n\n  // Private\n  _completeHide(relatedTarget) {\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$5, relatedTarget);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n\n    // If this is a touch-enabled device we remove the extra\n    // empty mouseover listeners we added for iOS support\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.off(element, 'mouseover', noop);\n      }\n    }\n    if (this._popper) {\n      this._popper.destroy();\n    }\n    this._menu.classList.remove(CLASS_NAME_SHOW$6);\n    this._element.classList.remove(CLASS_NAME_SHOW$6);\n    this._element.setAttribute('aria-expanded', 'false');\n    Manipulator.removeDataAttribute(this._menu, 'popper');\n    EventHandler.trigger(this._element, EVENT_HIDDEN$5, relatedTarget);\n  }\n  _getConfig(config) {\n    config = super._getConfig(config);\n    if (typeof config.reference === 'object' && !isElement(config.reference) && typeof config.reference.getBoundingClientRect !== 'function') {\n      // Popper virtual elements require a getBoundingClientRect method\n      throw new TypeError(`${NAME$a.toUpperCase()}: Option \"reference\" provided type \"object\" without a required \"getBoundingClientRect\" method.`);\n    }\n    return config;\n  }\n  _createPopper() {\n    if (typeof Popper === 'undefined') {\n      throw new TypeError('Bootstrap\\'s dropdowns require Popper (https://popper.js.org)');\n    }\n    let referenceElement = this._element;\n    if (this._config.reference === 'parent') {\n      referenceElement = this._parent;\n    } else if (isElement(this._config.reference)) {\n      referenceElement = getElement(this._config.reference);\n    } else if (typeof this._config.reference === 'object') {\n      referenceElement = this._config.reference;\n    }\n    const popperConfig = this._getPopperConfig();\n    this._popper = Popper.createPopper(referenceElement, this._menu, popperConfig);\n  }\n  _isShown() {\n    return this._menu.classList.contains(CLASS_NAME_SHOW$6);\n  }\n  _getPlacement() {\n    const parentDropdown = this._parent;\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPEND)) {\n      return PLACEMENT_RIGHT;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPSTART)) {\n      return PLACEMENT_LEFT;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPUP_CENTER)) {\n      return PLACEMENT_TOPCENTER;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPDOWN_CENTER)) {\n      return PLACEMENT_BOTTOMCENTER;\n    }\n\n    // We need to trim the value because custom properties can also include spaces\n    const isEnd = getComputedStyle(this._menu).getPropertyValue('--bs-position').trim() === 'end';\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPUP)) {\n      return isEnd ? PLACEMENT_TOPEND : PLACEMENT_TOP;\n    }\n    return isEnd ? PLACEMENT_BOTTOMEND : PLACEMENT_BOTTOM;\n  }\n  _detectNavbar() {\n    return this._element.closest(SELECTOR_NAVBAR) !== null;\n  }\n  _getOffset() {\n    const {\n      offset\n    } = this._config;\n    if (typeof offset === 'string') {\n      return offset.split(',').map(value => Number.parseInt(value, 10));\n    }\n    if (typeof offset === 'function') {\n      return popperData => offset(popperData, this._element);\n    }\n    return offset;\n  }\n  _getPopperConfig() {\n    const defaultBsPopperConfig = {\n      placement: this._getPlacement(),\n      modifiers: [{\n        name: 'preventOverflow',\n        options: {\n          boundary: this._config.boundary\n        }\n      }, {\n        name: 'offset',\n        options: {\n          offset: this._getOffset()\n        }\n      }]\n    };\n\n    // Disable Popper if we have a static display or Dropdown is in Navbar\n    if (this._inNavbar || this._config.display === 'static') {\n      Manipulator.setDataAttribute(this._menu, 'popper', 'static'); // TODO: v6 remove\n      defaultBsPopperConfig.modifiers = [{\n        name: 'applyStyles',\n        enabled: false\n      }];\n    }\n    return {\n      ...defaultBsPopperConfig,\n      ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n    };\n  }\n  _selectMenuItem({\n    key,\n    target\n  }) {\n    const items = SelectorEngine.find(SELECTOR_VISIBLE_ITEMS, this._menu).filter(element => isVisible(element));\n    if (!items.length) {\n      return;\n    }\n\n    // if target isn't included in items (e.g. when expanding the dropdown)\n    // allow cycling to get the last item in case key equals ARROW_UP_KEY\n    getNextActiveElement(items, target, key === ARROW_DOWN_KEY$1, !items.includes(target)).focus();\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Dropdown.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n  static clearMenus(event) {\n    if (event.button === RIGHT_MOUSE_BUTTON || event.type === 'keyup' && event.key !== TAB_KEY$1) {\n      return;\n    }\n    const openToggles = SelectorEngine.find(SELECTOR_DATA_TOGGLE_SHOWN);\n    for (const toggle of openToggles) {\n      const context = Dropdown.getInstance(toggle);\n      if (!context || context._config.autoClose === false) {\n        continue;\n      }\n      const composedPath = event.composedPath();\n      const isMenuTarget = composedPath.includes(context._menu);\n      if (composedPath.includes(context._element) || context._config.autoClose === 'inside' && !isMenuTarget || context._config.autoClose === 'outside' && isMenuTarget) {\n        continue;\n      }\n\n      // Tab navigation through the dropdown menu or events from contained inputs shouldn't close the menu\n      if (context._menu.contains(event.target) && (event.type === 'keyup' && event.key === TAB_KEY$1 || /input|select|option|textarea|form/i.test(event.target.tagName))) {\n        continue;\n      }\n      const relatedTarget = {\n        relatedTarget: context._element\n      };\n      if (event.type === 'click') {\n        relatedTarget.clickEvent = event;\n      }\n      context._completeHide(relatedTarget);\n    }\n  }\n  static dataApiKeydownHandler(event) {\n    // If not an UP | DOWN | ESCAPE key => not a dropdown command\n    // If input/textarea && if key is other than ESCAPE => not a dropdown command\n\n    const isInput = /input|textarea/i.test(event.target.tagName);\n    const isEscapeEvent = event.key === ESCAPE_KEY$2;\n    const isUpOrDownEvent = [ARROW_UP_KEY$1, ARROW_DOWN_KEY$1].includes(event.key);\n    if (!isUpOrDownEvent && !isEscapeEvent) {\n      return;\n    }\n    if (isInput && !isEscapeEvent) {\n      return;\n    }\n    event.preventDefault();\n\n    // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n    const getToggleButton = this.matches(SELECTOR_DATA_TOGGLE$3) ? this : SelectorEngine.prev(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.next(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.findOne(SELECTOR_DATA_TOGGLE$3, event.delegateTarget.parentNode);\n    const instance = Dropdown.getOrCreateInstance(getToggleButton);\n    if (isUpOrDownEvent) {\n      event.stopPropagation();\n      instance.show();\n      instance._selectMenuItem(event);\n      return;\n    }\n    if (instance._isShown()) {\n      // else is escape and we check if it is shown\n      event.stopPropagation();\n      instance.hide();\n      getToggleButton.focus();\n    }\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_DATA_TOGGLE$3, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_MENU, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_KEYUP_DATA_API, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, SELECTOR_DATA_TOGGLE$3, function (event) {\n  event.preventDefault();\n  Dropdown.getOrCreateInstance(this).toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Dropdown);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/backdrop.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$9 = 'backdrop';\nconst CLASS_NAME_FADE$4 = 'fade';\nconst CLASS_NAME_SHOW$5 = 'show';\nconst EVENT_MOUSEDOWN = `mousedown.bs.${NAME$9}`;\nconst Default$8 = {\n  className: 'modal-backdrop',\n  clickCallback: null,\n  isAnimated: false,\n  isVisible: true,\n  // if false, we use the backdrop helper without adding any element to the dom\n  rootElement: 'body' // give the choice to place backdrop under different elements\n};\n\nconst DefaultType$8 = {\n  className: 'string',\n  clickCallback: '(function|null)',\n  isAnimated: 'boolean',\n  isVisible: 'boolean',\n  rootElement: '(element|string)'\n};\n\n/**\n * Class definition\n */\n\nclass Backdrop extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n    this._isAppended = false;\n    this._element = null;\n  }\n\n  // Getters\n  static get Default() {\n    return Default$8;\n  }\n  static get DefaultType() {\n    return DefaultType$8;\n  }\n  static get NAME() {\n    return NAME$9;\n  }\n\n  // Public\n  show(callback) {\n    if (!this._config.isVisible) {\n      execute(callback);\n      return;\n    }\n    this._append();\n    const element = this._getElement();\n    if (this._config.isAnimated) {\n      reflow(element);\n    }\n    element.classList.add(CLASS_NAME_SHOW$5);\n    this._emulateAnimation(() => {\n      execute(callback);\n    });\n  }\n  hide(callback) {\n    if (!this._config.isVisible) {\n      execute(callback);\n      return;\n    }\n    this._getElement().classList.remove(CLASS_NAME_SHOW$5);\n    this._emulateAnimation(() => {\n      this.dispose();\n      execute(callback);\n    });\n  }\n  dispose() {\n    if (!this._isAppended) {\n      return;\n    }\n    EventHandler.off(this._element, EVENT_MOUSEDOWN);\n    this._element.remove();\n    this._isAppended = false;\n  }\n\n  // Private\n  _getElement() {\n    if (!this._element) {\n      const backdrop = document.createElement('div');\n      backdrop.className = this._config.className;\n      if (this._config.isAnimated) {\n        backdrop.classList.add(CLASS_NAME_FADE$4);\n      }\n      this._element = backdrop;\n    }\n    return this._element;\n  }\n  _configAfterMerge(config) {\n    // use getElement() with the default \"body\" to get a fresh Element on each instantiation\n    config.rootElement = getElement(config.rootElement);\n    return config;\n  }\n  _append() {\n    if (this._isAppended) {\n      return;\n    }\n    const element = this._getElement();\n    this._config.rootElement.append(element);\n    EventHandler.on(element, EVENT_MOUSEDOWN, () => {\n      execute(this._config.clickCallback);\n    });\n    this._isAppended = true;\n  }\n  _emulateAnimation(callback) {\n    executeAfterTransition(callback, this._getElement(), this._config.isAnimated);\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/focustrap.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$8 = 'focustrap';\nconst DATA_KEY$5 = 'bs.focustrap';\nconst EVENT_KEY$5 = `.${DATA_KEY$5}`;\nconst EVENT_FOCUSIN$2 = `focusin${EVENT_KEY$5}`;\nconst EVENT_KEYDOWN_TAB = `keydown.tab${EVENT_KEY$5}`;\nconst TAB_KEY = 'Tab';\nconst TAB_NAV_FORWARD = 'forward';\nconst TAB_NAV_BACKWARD = 'backward';\nconst Default$7 = {\n  autofocus: true,\n  trapElement: null // The element to trap focus inside of\n};\n\nconst DefaultType$7 = {\n  autofocus: 'boolean',\n  trapElement: 'element'\n};\n\n/**\n * Class definition\n */\n\nclass FocusTrap extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n    this._isActive = false;\n    this._lastTabNavDirection = null;\n  }\n\n  // Getters\n  static get Default() {\n    return Default$7;\n  }\n  static get DefaultType() {\n    return DefaultType$7;\n  }\n  static get NAME() {\n    return NAME$8;\n  }\n\n  // Public\n  activate() {\n    if (this._isActive) {\n      return;\n    }\n    if (this._config.autofocus) {\n      this._config.trapElement.focus();\n    }\n    EventHandler.off(document, EVENT_KEY$5); // guard against infinite focus loop\n    EventHandler.on(document, EVENT_FOCUSIN$2, event => this._handleFocusin(event));\n    EventHandler.on(document, EVENT_KEYDOWN_TAB, event => this._handleKeydown(event));\n    this._isActive = true;\n  }\n  deactivate() {\n    if (!this._isActive) {\n      return;\n    }\n    this._isActive = false;\n    EventHandler.off(document, EVENT_KEY$5);\n  }\n\n  // Private\n  _handleFocusin(event) {\n    const {\n      trapElement\n    } = this._config;\n    if (event.target === document || event.target === trapElement || trapElement.contains(event.target)) {\n      return;\n    }\n    const elements = SelectorEngine.focusableChildren(trapElement);\n    if (elements.length === 0) {\n      trapElement.focus();\n    } else if (this._lastTabNavDirection === TAB_NAV_BACKWARD) {\n      elements[elements.length - 1].focus();\n    } else {\n      elements[0].focus();\n    }\n  }\n  _handleKeydown(event) {\n    if (event.key !== TAB_KEY) {\n      return;\n    }\n    this._lastTabNavDirection = event.shiftKey ? TAB_NAV_BACKWARD : TAB_NAV_FORWARD;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/scrollBar.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst SELECTOR_FIXED_CONTENT = '.fixed-top, .fixed-bottom, .is-fixed, .sticky-top';\nconst SELECTOR_STICKY_CONTENT = '.sticky-top';\nconst PROPERTY_PADDING = 'padding-right';\nconst PROPERTY_MARGIN = 'margin-right';\n\n/**\n * Class definition\n */\n\nclass ScrollBarHelper {\n  constructor() {\n    this._element = document.body;\n  }\n\n  // Public\n  getWidth() {\n    // https://developer.mozilla.org/en-US/docs/Web/API/Window/innerWidth#usage_notes\n    const documentWidth = document.documentElement.clientWidth;\n    return Math.abs(window.innerWidth - documentWidth);\n  }\n  hide() {\n    const width = this.getWidth();\n    this._disableOverFlow();\n    // give padding to element to balance the hidden scrollbar width\n    this._setElementAttributes(this._element, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n    // trick: We adjust positive paddingRight and negative marginRight to sticky-top elements to keep showing fullwidth\n    this._setElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n    this._setElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN, calculatedValue => calculatedValue - width);\n  }\n  reset() {\n    this._resetElementAttributes(this._element, 'overflow');\n    this._resetElementAttributes(this._element, PROPERTY_PADDING);\n    this._resetElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING);\n    this._resetElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN);\n  }\n  isOverflowing() {\n    return this.getWidth() > 0;\n  }\n\n  // Private\n  _disableOverFlow() {\n    this._saveInitialAttribute(this._element, 'overflow');\n    this._element.style.overflow = 'hidden';\n  }\n  _setElementAttributes(selector, styleProperty, callback) {\n    const scrollbarWidth = this.getWidth();\n    const manipulationCallBack = element => {\n      if (element !== this._element && window.innerWidth > element.clientWidth + scrollbarWidth) {\n        return;\n      }\n      this._saveInitialAttribute(element, styleProperty);\n      const calculatedValue = window.getComputedStyle(element).getPropertyValue(styleProperty);\n      element.style.setProperty(styleProperty, `${callback(Number.parseFloat(calculatedValue))}px`);\n    };\n    this._applyManipulationCallback(selector, manipulationCallBack);\n  }\n  _saveInitialAttribute(element, styleProperty) {\n    const actualValue = element.style.getPropertyValue(styleProperty);\n    if (actualValue) {\n      Manipulator.setDataAttribute(element, styleProperty, actualValue);\n    }\n  }\n  _resetElementAttributes(selector, styleProperty) {\n    const manipulationCallBack = element => {\n      const value = Manipulator.getDataAttribute(element, styleProperty);\n      // We only want to remove the property if the value is `null`; the value can also be zero\n      if (value === null) {\n        element.style.removeProperty(styleProperty);\n        return;\n      }\n      Manipulator.removeDataAttribute(element, styleProperty);\n      element.style.setProperty(styleProperty, value);\n    };\n    this._applyManipulationCallback(selector, manipulationCallBack);\n  }\n  _applyManipulationCallback(selector, callBack) {\n    if (isElement(selector)) {\n      callBack(selector);\n      return;\n    }\n    for (const sel of SelectorEngine.find(selector, this._element)) {\n      callBack(sel);\n    }\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap modal.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$7 = 'modal';\nconst DATA_KEY$4 = 'bs.modal';\nconst EVENT_KEY$4 = `.${DATA_KEY$4}`;\nconst DATA_API_KEY$2 = '.data-api';\nconst ESCAPE_KEY$1 = 'Escape';\nconst EVENT_HIDE$4 = `hide${EVENT_KEY$4}`;\nconst EVENT_HIDE_PREVENTED$1 = `hidePrevented${EVENT_KEY$4}`;\nconst EVENT_HIDDEN$4 = `hidden${EVENT_KEY$4}`;\nconst EVENT_SHOW$4 = `show${EVENT_KEY$4}`;\nconst EVENT_SHOWN$4 = `shown${EVENT_KEY$4}`;\nconst EVENT_RESIZE$1 = `resize${EVENT_KEY$4}`;\nconst EVENT_CLICK_DISMISS = `click.dismiss${EVENT_KEY$4}`;\nconst EVENT_MOUSEDOWN_DISMISS = `mousedown.dismiss${EVENT_KEY$4}`;\nconst EVENT_KEYDOWN_DISMISS$1 = `keydown.dismiss${EVENT_KEY$4}`;\nconst EVENT_CLICK_DATA_API$2 = `click${EVENT_KEY$4}${DATA_API_KEY$2}`;\nconst CLASS_NAME_OPEN = 'modal-open';\nconst CLASS_NAME_FADE$3 = 'fade';\nconst CLASS_NAME_SHOW$4 = 'show';\nconst CLASS_NAME_STATIC = 'modal-static';\nconst OPEN_SELECTOR$1 = '.modal.show';\nconst SELECTOR_DIALOG = '.modal-dialog';\nconst SELECTOR_MODAL_BODY = '.modal-body';\nconst SELECTOR_DATA_TOGGLE$2 = '[data-bs-toggle=\"modal\"]';\nconst Default$6 = {\n  backdrop: true,\n  focus: true,\n  keyboard: true\n};\nconst DefaultType$6 = {\n  backdrop: '(boolean|string)',\n  focus: 'boolean',\n  keyboard: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Modal extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._dialog = SelectorEngine.findOne(SELECTOR_DIALOG, this._element);\n    this._backdrop = this._initializeBackDrop();\n    this._focustrap = this._initializeFocusTrap();\n    this._isShown = false;\n    this._isTransitioning = false;\n    this._scrollBar = new ScrollBarHelper();\n    this._addEventListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$6;\n  }\n  static get DefaultType() {\n    return DefaultType$6;\n  }\n  static get NAME() {\n    return NAME$7;\n  }\n\n  // Public\n  toggle(relatedTarget) {\n    return this._isShown ? this.hide() : this.show(relatedTarget);\n  }\n  show(relatedTarget) {\n    if (this._isShown || this._isTransitioning) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$4, {\n      relatedTarget\n    });\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = true;\n    this._isTransitioning = true;\n    this._scrollBar.hide();\n    document.body.classList.add(CLASS_NAME_OPEN);\n    this._adjustDialog();\n    this._backdrop.show(() => this._showElement(relatedTarget));\n  }\n  hide() {\n    if (!this._isShown || this._isTransitioning) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$4);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = false;\n    this._isTransitioning = true;\n    this._focustrap.deactivate();\n    this._element.classList.remove(CLASS_NAME_SHOW$4);\n    this._queueCallback(() => this._hideModal(), this._element, this._isAnimated());\n  }\n  dispose() {\n    EventHandler.off(window, EVENT_KEY$4);\n    EventHandler.off(this._dialog, EVENT_KEY$4);\n    this._backdrop.dispose();\n    this._focustrap.deactivate();\n    super.dispose();\n  }\n  handleUpdate() {\n    this._adjustDialog();\n  }\n\n  // Private\n  _initializeBackDrop() {\n    return new Backdrop({\n      isVisible: Boolean(this._config.backdrop),\n      // 'static' option will be translated to true, and booleans will keep their value,\n      isAnimated: this._isAnimated()\n    });\n  }\n  _initializeFocusTrap() {\n    return new FocusTrap({\n      trapElement: this._element\n    });\n  }\n  _showElement(relatedTarget) {\n    // try to append dynamic modal\n    if (!document.body.contains(this._element)) {\n      document.body.append(this._element);\n    }\n    this._element.style.display = 'block';\n    this._element.removeAttribute('aria-hidden');\n    this._element.setAttribute('aria-modal', true);\n    this._element.setAttribute('role', 'dialog');\n    this._element.scrollTop = 0;\n    const modalBody = SelectorEngine.findOne(SELECTOR_MODAL_BODY, this._dialog);\n    if (modalBody) {\n      modalBody.scrollTop = 0;\n    }\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_SHOW$4);\n    const transitionComplete = () => {\n      if (this._config.focus) {\n        this._focustrap.activate();\n      }\n      this._isTransitioning = false;\n      EventHandler.trigger(this._element, EVENT_SHOWN$4, {\n        relatedTarget\n      });\n    };\n    this._queueCallback(transitionComplete, this._dialog, this._isAnimated());\n  }\n  _addEventListeners() {\n    EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS$1, event => {\n      if (event.key !== ESCAPE_KEY$1) {\n        return;\n      }\n      if (this._config.keyboard) {\n        this.hide();\n        return;\n      }\n      this._triggerBackdropTransition();\n    });\n    EventHandler.on(window, EVENT_RESIZE$1, () => {\n      if (this._isShown && !this._isTransitioning) {\n        this._adjustDialog();\n      }\n    });\n    EventHandler.on(this._element, EVENT_MOUSEDOWN_DISMISS, event => {\n      // a bad trick to segregate clicks that may start inside dialog but end outside, and avoid listen to scrollbar clicks\n      EventHandler.one(this._element, EVENT_CLICK_DISMISS, event2 => {\n        if (this._element !== event.target || this._element !== event2.target) {\n          return;\n        }\n        if (this._config.backdrop === 'static') {\n          this._triggerBackdropTransition();\n          return;\n        }\n        if (this._config.backdrop) {\n          this.hide();\n        }\n      });\n    });\n  }\n  _hideModal() {\n    this._element.style.display = 'none';\n    this._element.setAttribute('aria-hidden', true);\n    this._element.removeAttribute('aria-modal');\n    this._element.removeAttribute('role');\n    this._isTransitioning = false;\n    this._backdrop.hide(() => {\n      document.body.classList.remove(CLASS_NAME_OPEN);\n      this._resetAdjustments();\n      this._scrollBar.reset();\n      EventHandler.trigger(this._element, EVENT_HIDDEN$4);\n    });\n  }\n  _isAnimated() {\n    return this._element.classList.contains(CLASS_NAME_FADE$3);\n  }\n  _triggerBackdropTransition() {\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED$1);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n    const initialOverflowY = this._element.style.overflowY;\n    // return if the following background transition hasn't yet completed\n    if (initialOverflowY === 'hidden' || this._element.classList.contains(CLASS_NAME_STATIC)) {\n      return;\n    }\n    if (!isModalOverflowing) {\n      this._element.style.overflowY = 'hidden';\n    }\n    this._element.classList.add(CLASS_NAME_STATIC);\n    this._queueCallback(() => {\n      this._element.classList.remove(CLASS_NAME_STATIC);\n      this._queueCallback(() => {\n        this._element.style.overflowY = initialOverflowY;\n      }, this._dialog);\n    }, this._dialog);\n    this._element.focus();\n  }\n\n  /**\n   * The following methods are used to handle overflowing modals\n   */\n\n  _adjustDialog() {\n    const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n    const scrollbarWidth = this._scrollBar.getWidth();\n    const isBodyOverflowing = scrollbarWidth > 0;\n    if (isBodyOverflowing && !isModalOverflowing) {\n      const property = isRTL() ? 'paddingLeft' : 'paddingRight';\n      this._element.style[property] = `${scrollbarWidth}px`;\n    }\n    if (!isBodyOverflowing && isModalOverflowing) {\n      const property = isRTL() ? 'paddingRight' : 'paddingLeft';\n      this._element.style[property] = `${scrollbarWidth}px`;\n    }\n  }\n  _resetAdjustments() {\n    this._element.style.paddingLeft = '';\n    this._element.style.paddingRight = '';\n  }\n\n  // Static\n  static jQueryInterface(config, relatedTarget) {\n    return this.each(function () {\n      const data = Modal.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](relatedTarget);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$2, SELECTOR_DATA_TOGGLE$2, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  EventHandler.one(target, EVENT_SHOW$4, showEvent => {\n    if (showEvent.defaultPrevented) {\n      // only register focus restorer if modal will actually get shown\n      return;\n    }\n    EventHandler.one(target, EVENT_HIDDEN$4, () => {\n      if (isVisible(this)) {\n        this.focus();\n      }\n    });\n  });\n\n  // avoid conflict when clicking modal toggler while another one is open\n  const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR$1);\n  if (alreadyOpen) {\n    Modal.getInstance(alreadyOpen).hide();\n  }\n  const data = Modal.getOrCreateInstance(target);\n  data.toggle(this);\n});\nenableDismissTrigger(Modal);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Modal);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap offcanvas.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$6 = 'offcanvas';\nconst DATA_KEY$3 = 'bs.offcanvas';\nconst EVENT_KEY$3 = `.${DATA_KEY$3}`;\nconst DATA_API_KEY$1 = '.data-api';\nconst EVENT_LOAD_DATA_API$2 = `load${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst ESCAPE_KEY = 'Escape';\nconst CLASS_NAME_SHOW$3 = 'show';\nconst CLASS_NAME_SHOWING$1 = 'showing';\nconst CLASS_NAME_HIDING = 'hiding';\nconst CLASS_NAME_BACKDROP = 'offcanvas-backdrop';\nconst OPEN_SELECTOR = '.offcanvas.show';\nconst EVENT_SHOW$3 = `show${EVENT_KEY$3}`;\nconst EVENT_SHOWN$3 = `shown${EVENT_KEY$3}`;\nconst EVENT_HIDE$3 = `hide${EVENT_KEY$3}`;\nconst EVENT_HIDE_PREVENTED = `hidePrevented${EVENT_KEY$3}`;\nconst EVENT_HIDDEN$3 = `hidden${EVENT_KEY$3}`;\nconst EVENT_RESIZE = `resize${EVENT_KEY$3}`;\nconst EVENT_CLICK_DATA_API$1 = `click${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst EVENT_KEYDOWN_DISMISS = `keydown.dismiss${EVENT_KEY$3}`;\nconst SELECTOR_DATA_TOGGLE$1 = '[data-bs-toggle=\"offcanvas\"]';\nconst Default$5 = {\n  backdrop: true,\n  keyboard: true,\n  scroll: false\n};\nconst DefaultType$5 = {\n  backdrop: '(boolean|string)',\n  keyboard: 'boolean',\n  scroll: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Offcanvas extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._isShown = false;\n    this._backdrop = this._initializeBackDrop();\n    this._focustrap = this._initializeFocusTrap();\n    this._addEventListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$5;\n  }\n  static get DefaultType() {\n    return DefaultType$5;\n  }\n  static get NAME() {\n    return NAME$6;\n  }\n\n  // Public\n  toggle(relatedTarget) {\n    return this._isShown ? this.hide() : this.show(relatedTarget);\n  }\n  show(relatedTarget) {\n    if (this._isShown) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$3, {\n      relatedTarget\n    });\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = true;\n    this._backdrop.show();\n    if (!this._config.scroll) {\n      new ScrollBarHelper().hide();\n    }\n    this._element.setAttribute('aria-modal', true);\n    this._element.setAttribute('role', 'dialog');\n    this._element.classList.add(CLASS_NAME_SHOWING$1);\n    const completeCallBack = () => {\n      if (!this._config.scroll || this._config.backdrop) {\n        this._focustrap.activate();\n      }\n      this._element.classList.add(CLASS_NAME_SHOW$3);\n      this._element.classList.remove(CLASS_NAME_SHOWING$1);\n      EventHandler.trigger(this._element, EVENT_SHOWN$3, {\n        relatedTarget\n      });\n    };\n    this._queueCallback(completeCallBack, this._element, true);\n  }\n  hide() {\n    if (!this._isShown) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$3);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    this._focustrap.deactivate();\n    this._element.blur();\n    this._isShown = false;\n    this._element.classList.add(CLASS_NAME_HIDING);\n    this._backdrop.hide();\n    const completeCallback = () => {\n      this._element.classList.remove(CLASS_NAME_SHOW$3, CLASS_NAME_HIDING);\n      this._element.removeAttribute('aria-modal');\n      this._element.removeAttribute('role');\n      if (!this._config.scroll) {\n        new ScrollBarHelper().reset();\n      }\n      EventHandler.trigger(this._element, EVENT_HIDDEN$3);\n    };\n    this._queueCallback(completeCallback, this._element, true);\n  }\n  dispose() {\n    this._backdrop.dispose();\n    this._focustrap.deactivate();\n    super.dispose();\n  }\n\n  // Private\n  _initializeBackDrop() {\n    const clickCallback = () => {\n      if (this._config.backdrop === 'static') {\n        EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n        return;\n      }\n      this.hide();\n    };\n\n    // 'static' option will be translated to true, and booleans will keep their value\n    const isVisible = Boolean(this._config.backdrop);\n    return new Backdrop({\n      className: CLASS_NAME_BACKDROP,\n      isVisible,\n      isAnimated: true,\n      rootElement: this._element.parentNode,\n      clickCallback: isVisible ? clickCallback : null\n    });\n  }\n  _initializeFocusTrap() {\n    return new FocusTrap({\n      trapElement: this._element\n    });\n  }\n  _addEventListeners() {\n    EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS, event => {\n      if (event.key !== ESCAPE_KEY) {\n        return;\n      }\n      if (this._config.keyboard) {\n        this.hide();\n        return;\n      }\n      EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n    });\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Offcanvas.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](this);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$1, SELECTOR_DATA_TOGGLE$1, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  if (isDisabled(this)) {\n    return;\n  }\n  EventHandler.one(target, EVENT_HIDDEN$3, () => {\n    // focus on trigger when it is closed\n    if (isVisible(this)) {\n      this.focus();\n    }\n  });\n\n  // avoid conflict when clicking a toggler of an offcanvas, while another is open\n  const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR);\n  if (alreadyOpen && alreadyOpen !== target) {\n    Offcanvas.getInstance(alreadyOpen).hide();\n  }\n  const data = Offcanvas.getOrCreateInstance(target);\n  data.toggle(this);\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$2, () => {\n  for (const selector of SelectorEngine.find(OPEN_SELECTOR)) {\n    Offcanvas.getOrCreateInstance(selector).show();\n  }\n});\nEventHandler.on(window, EVENT_RESIZE, () => {\n  for (const element of SelectorEngine.find('[aria-modal][class*=show][class*=offcanvas-]')) {\n    if (getComputedStyle(element).position !== 'fixed') {\n      Offcanvas.getOrCreateInstance(element).hide();\n    }\n  }\n});\nenableDismissTrigger(Offcanvas);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Offcanvas);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/sanitizer.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n// js-docs-start allow-list\nconst ARIA_ATTRIBUTE_PATTERN = /^aria-[\\w-]*$/i;\nconst DefaultAllowlist = {\n  // Global attributes allowed on any supplied element below.\n  '*': ['class', 'dir', 'id', 'lang', 'role', ARIA_ATTRIBUTE_PATTERN],\n  a: ['target', 'href', 'title', 'rel'],\n  area: [],\n  b: [],\n  br: [],\n  col: [],\n  code: [],\n  div: [],\n  em: [],\n  hr: [],\n  h1: [],\n  h2: [],\n  h3: [],\n  h4: [],\n  h5: [],\n  h6: [],\n  i: [],\n  img: ['src', 'srcset', 'alt', 'title', 'width', 'height'],\n  li: [],\n  ol: [],\n  p: [],\n  pre: [],\n  s: [],\n  small: [],\n  span: [],\n  sub: [],\n  sup: [],\n  strong: [],\n  u: [],\n  ul: []\n};\n// js-docs-end allow-list\n\nconst uriAttributes = new Set(['background', 'cite', 'href', 'itemtype', 'longdesc', 'poster', 'src', 'xlink:href']);\n\n/**\n * A pattern that recognizes URLs that are safe wrt. XSS in URL navigation\n * contexts.\n *\n * Shout-out to Angular https://github.com/angular/angular/blob/15.2.8/packages/core/src/sanitization/url_sanitizer.ts#L38\n */\n// eslint-disable-next-line unicorn/better-regex\nconst SAFE_URL_PATTERN = /^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i;\nconst allowedAttribute = (attribute, allowedAttributeList) => {\n  const attributeName = attribute.nodeName.toLowerCase();\n  if (allowedAttributeList.includes(attributeName)) {\n    if (uriAttributes.has(attributeName)) {\n      return Boolean(SAFE_URL_PATTERN.test(attribute.nodeValue));\n    }\n    return true;\n  }\n\n  // Check if a regular expression validates the attribute.\n  return allowedAttributeList.filter(attributeRegex => attributeRegex instanceof RegExp).some(regex => regex.test(attributeName));\n};\nfunction sanitizeHtml(unsafeHtml, allowList, sanitizeFunction) {\n  if (!unsafeHtml.length) {\n    return unsafeHtml;\n  }\n  if (sanitizeFunction && typeof sanitizeFunction === 'function') {\n    return sanitizeFunction(unsafeHtml);\n  }\n  const domParser = new window.DOMParser();\n  const createdDocument = domParser.parseFromString(unsafeHtml, 'text/html');\n  const elements = [].concat(...createdDocument.body.querySelectorAll('*'));\n  for (const element of elements) {\n    const elementName = element.nodeName.toLowerCase();\n    if (!Object.keys(allowList).includes(elementName)) {\n      element.remove();\n      continue;\n    }\n    const attributeList = [].concat(...element.attributes);\n    const allowedAttributes = [].concat(allowList['*'] || [], allowList[elementName] || []);\n    for (const attribute of attributeList) {\n      if (!allowedAttribute(attribute, allowedAttributes)) {\n        element.removeAttribute(attribute.nodeName);\n      }\n    }\n  }\n  return createdDocument.body.innerHTML;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/template-factory.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$5 = 'TemplateFactory';\nconst Default$4 = {\n  allowList: DefaultAllowlist,\n  content: {},\n  // { selector : text ,  selector2 : text2 , }\n  extraClass: '',\n  html: false,\n  sanitize: true,\n  sanitizeFn: null,\n  template: '<div></div>'\n};\nconst DefaultType$4 = {\n  allowList: 'object',\n  content: 'object',\n  extraClass: '(string|function)',\n  html: 'boolean',\n  sanitize: 'boolean',\n  sanitizeFn: '(null|function)',\n  template: 'string'\n};\nconst DefaultContentType = {\n  entry: '(string|element|function|null)',\n  selector: '(string|element)'\n};\n\n/**\n * Class definition\n */\n\nclass TemplateFactory extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n  }\n\n  // Getters\n  static get Default() {\n    return Default$4;\n  }\n  static get DefaultType() {\n    return DefaultType$4;\n  }\n  static get NAME() {\n    return NAME$5;\n  }\n\n  // Public\n  getContent() {\n    return Object.values(this._config.content).map(config => this._resolvePossibleFunction(config)).filter(Boolean);\n  }\n  hasContent() {\n    return this.getContent().length > 0;\n  }\n  changeContent(content) {\n    this._checkContent(content);\n    this._config.content = {\n      ...this._config.content,\n      ...content\n    };\n    return this;\n  }\n  toHtml() {\n    const templateWrapper = document.createElement('div');\n    templateWrapper.innerHTML = this._maybeSanitize(this._config.template);\n    for (const [selector, text] of Object.entries(this._config.content)) {\n      this._setContent(templateWrapper, text, selector);\n    }\n    const template = templateWrapper.children[0];\n    const extraClass = this._resolvePossibleFunction(this._config.extraClass);\n    if (extraClass) {\n      template.classList.add(...extraClass.split(' '));\n    }\n    return template;\n  }\n\n  // Private\n  _typeCheckConfig(config) {\n    super._typeCheckConfig(config);\n    this._checkContent(config.content);\n  }\n  _checkContent(arg) {\n    for (const [selector, content] of Object.entries(arg)) {\n      super._typeCheckConfig({\n        selector,\n        entry: content\n      }, DefaultContentType);\n    }\n  }\n  _setContent(template, content, selector) {\n    const templateElement = SelectorEngine.findOne(selector, template);\n    if (!templateElement) {\n      return;\n    }\n    content = this._resolvePossibleFunction(content);\n    if (!content) {\n      templateElement.remove();\n      return;\n    }\n    if (isElement(content)) {\n      this._putElementInTemplate(getElement(content), templateElement);\n      return;\n    }\n    if (this._config.html) {\n      templateElement.innerHTML = this._maybeSanitize(content);\n      return;\n    }\n    templateElement.textContent = content;\n  }\n  _maybeSanitize(arg) {\n    return this._config.sanitize ? sanitizeHtml(arg, this._config.allowList, this._config.sanitizeFn) : arg;\n  }\n  _resolvePossibleFunction(arg) {\n    return execute(arg, [this]);\n  }\n  _putElementInTemplate(element, templateElement) {\n    if (this._config.html) {\n      templateElement.innerHTML = '';\n      templateElement.append(element);\n      return;\n    }\n    templateElement.textContent = element.textContent;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap tooltip.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$4 = 'tooltip';\nconst DISALLOWED_ATTRIBUTES = new Set(['sanitize', 'allowList', 'sanitizeFn']);\nconst CLASS_NAME_FADE$2 = 'fade';\nconst CLASS_NAME_MODAL = 'modal';\nconst CLASS_NAME_SHOW$2 = 'show';\nconst SELECTOR_TOOLTIP_INNER = '.tooltip-inner';\nconst SELECTOR_MODAL = `.${CLASS_NAME_MODAL}`;\nconst EVENT_MODAL_HIDE = 'hide.bs.modal';\nconst TRIGGER_HOVER = 'hover';\nconst TRIGGER_FOCUS = 'focus';\nconst TRIGGER_CLICK = 'click';\nconst TRIGGER_MANUAL = 'manual';\nconst EVENT_HIDE$2 = 'hide';\nconst EVENT_HIDDEN$2 = 'hidden';\nconst EVENT_SHOW$2 = 'show';\nconst EVENT_SHOWN$2 = 'shown';\nconst EVENT_INSERTED = 'inserted';\nconst EVENT_CLICK$1 = 'click';\nconst EVENT_FOCUSIN$1 = 'focusin';\nconst EVENT_FOCUSOUT$1 = 'focusout';\nconst EVENT_MOUSEENTER = 'mouseenter';\nconst EVENT_MOUSELEAVE = 'mouseleave';\nconst AttachmentMap = {\n  AUTO: 'auto',\n  TOP: 'top',\n  RIGHT: isRTL() ? 'left' : 'right',\n  BOTTOM: 'bottom',\n  LEFT: isRTL() ? 'right' : 'left'\n};\nconst Default$3 = {\n  allowList: DefaultAllowlist,\n  animation: true,\n  boundary: 'clippingParents',\n  container: false,\n  customClass: '',\n  delay: 0,\n  fallbackPlacements: ['top', 'right', 'bottom', 'left'],\n  html: false,\n  offset: [0, 6],\n  placement: 'top',\n  popperConfig: null,\n  sanitize: true,\n  sanitizeFn: null,\n  selector: false,\n  template: '<div class=\"tooltip\" role=\"tooltip\">' + '<div class=\"tooltip-arrow\"></div>' + '<div class=\"tooltip-inner\"></div>' + '</div>',\n  title: '',\n  trigger: 'hover focus'\n};\nconst DefaultType$3 = {\n  allowList: 'object',\n  animation: 'boolean',\n  boundary: '(string|element)',\n  container: '(string|element|boolean)',\n  customClass: '(string|function)',\n  delay: '(number|object)',\n  fallbackPlacements: 'array',\n  html: 'boolean',\n  offset: '(array|string|function)',\n  placement: '(string|function)',\n  popperConfig: '(null|object|function)',\n  sanitize: 'boolean',\n  sanitizeFn: '(null|function)',\n  selector: '(string|boolean)',\n  template: 'string',\n  title: '(string|element|function)',\n  trigger: 'string'\n};\n\n/**\n * Class definition\n */\n\nclass Tooltip extends BaseComponent {\n  constructor(element, config) {\n    if (typeof Popper === 'undefined') {\n      throw new TypeError('Bootstrap\\'s tooltips require Popper (https://popper.js.org)');\n    }\n    super(element, config);\n\n    // Private\n    this._isEnabled = true;\n    this._timeout = 0;\n    this._isHovered = null;\n    this._activeTrigger = {};\n    this._popper = null;\n    this._templateFactory = null;\n    this._newContent = null;\n\n    // Protected\n    this.tip = null;\n    this._setListeners();\n    if (!this._config.selector) {\n      this._fixTitle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$3;\n  }\n  static get DefaultType() {\n    return DefaultType$3;\n  }\n  static get NAME() {\n    return NAME$4;\n  }\n\n  // Public\n  enable() {\n    this._isEnabled = true;\n  }\n  disable() {\n    this._isEnabled = false;\n  }\n  toggleEnabled() {\n    this._isEnabled = !this._isEnabled;\n  }\n  toggle() {\n    if (!this._isEnabled) {\n      return;\n    }\n    this._activeTrigger.click = !this._activeTrigger.click;\n    if (this._isShown()) {\n      this._leave();\n      return;\n    }\n    this._enter();\n  }\n  dispose() {\n    clearTimeout(this._timeout);\n    EventHandler.off(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n    if (this._element.getAttribute('data-bs-original-title')) {\n      this._element.setAttribute('title', this._element.getAttribute('data-bs-original-title'));\n    }\n    this._disposePopper();\n    super.dispose();\n  }\n  show() {\n    if (this._element.style.display === 'none') {\n      throw new Error('Please use show on visible elements');\n    }\n    if (!(this._isWithContent() && this._isEnabled)) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOW$2));\n    const shadowRoot = findShadowRoot(this._element);\n    const isInTheDom = (shadowRoot || this._element.ownerDocument.documentElement).contains(this._element);\n    if (showEvent.defaultPrevented || !isInTheDom) {\n      return;\n    }\n\n    // TODO: v6 remove this or make it optional\n    this._disposePopper();\n    const tip = this._getTipElement();\n    this._element.setAttribute('aria-describedby', tip.getAttribute('id'));\n    const {\n      container\n    } = this._config;\n    if (!this._element.ownerDocument.documentElement.contains(this.tip)) {\n      container.append(tip);\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_INSERTED));\n    }\n    this._popper = this._createPopper(tip);\n    tip.classList.add(CLASS_NAME_SHOW$2);\n\n    // If this is a touch-enabled device we add extra\n    // empty mouseover listeners to the body's immediate children;\n    // only needed because of broken event delegation on iOS\n    // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.on(element, 'mouseover', noop);\n      }\n    }\n    const complete = () => {\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOWN$2));\n      if (this._isHovered === false) {\n        this._leave();\n      }\n      this._isHovered = false;\n    };\n    this._queueCallback(complete, this.tip, this._isAnimated());\n  }\n  hide() {\n    if (!this._isShown()) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDE$2));\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const tip = this._getTipElement();\n    tip.classList.remove(CLASS_NAME_SHOW$2);\n\n    // If this is a touch-enabled device we remove the extra\n    // empty mouseover listeners we added for iOS support\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.off(element, 'mouseover', noop);\n      }\n    }\n    this._activeTrigger[TRIGGER_CLICK] = false;\n    this._activeTrigger[TRIGGER_FOCUS] = false;\n    this._activeTrigger[TRIGGER_HOVER] = false;\n    this._isHovered = null; // it is a trick to support manual triggering\n\n    const complete = () => {\n      if (this._isWithActiveTrigger()) {\n        return;\n      }\n      if (!this._isHovered) {\n        this._disposePopper();\n      }\n      this._element.removeAttribute('aria-describedby');\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDDEN$2));\n    };\n    this._queueCallback(complete, this.tip, this._isAnimated());\n  }\n  update() {\n    if (this._popper) {\n      this._popper.update();\n    }\n  }\n\n  // Protected\n  _isWithContent() {\n    return Boolean(this._getTitle());\n  }\n  _getTipElement() {\n    if (!this.tip) {\n      this.tip = this._createTipElement(this._newContent || this._getContentForTemplate());\n    }\n    return this.tip;\n  }\n  _createTipElement(content) {\n    const tip = this._getTemplateFactory(content).toHtml();\n\n    // TODO: remove this check in v6\n    if (!tip) {\n      return null;\n    }\n    tip.classList.remove(CLASS_NAME_FADE$2, CLASS_NAME_SHOW$2);\n    // TODO: v6 the following can be achieved with CSS only\n    tip.classList.add(`bs-${this.constructor.NAME}-auto`);\n    const tipId = getUID(this.constructor.NAME).toString();\n    tip.setAttribute('id', tipId);\n    if (this._isAnimated()) {\n      tip.classList.add(CLASS_NAME_FADE$2);\n    }\n    return tip;\n  }\n  setContent(content) {\n    this._newContent = content;\n    if (this._isShown()) {\n      this._disposePopper();\n      this.show();\n    }\n  }\n  _getTemplateFactory(content) {\n    if (this._templateFactory) {\n      this._templateFactory.changeContent(content);\n    } else {\n      this._templateFactory = new TemplateFactory({\n        ...this._config,\n        // the `content` var has to be after `this._config`\n        // to override config.content in case of popover\n        content,\n        extraClass: this._resolvePossibleFunction(this._config.customClass)\n      });\n    }\n    return this._templateFactory;\n  }\n  _getContentForTemplate() {\n    return {\n      [SELECTOR_TOOLTIP_INNER]: this._getTitle()\n    };\n  }\n  _getTitle() {\n    return this._resolvePossibleFunction(this._config.title) || this._element.getAttribute('data-bs-original-title');\n  }\n\n  // Private\n  _initializeOnDelegatedTarget(event) {\n    return this.constructor.getOrCreateInstance(event.delegateTarget, this._getDelegateConfig());\n  }\n  _isAnimated() {\n    return this._config.animation || this.tip && this.tip.classList.contains(CLASS_NAME_FADE$2);\n  }\n  _isShown() {\n    return this.tip && this.tip.classList.contains(CLASS_NAME_SHOW$2);\n  }\n  _createPopper(tip) {\n    const placement = execute(this._config.placement, [this, tip, this._element]);\n    const attachment = AttachmentMap[placement.toUpperCase()];\n    return Popper.createPopper(this._element, tip, this._getPopperConfig(attachment));\n  }\n  _getOffset() {\n    const {\n      offset\n    } = this._config;\n    if (typeof offset === 'string') {\n      return offset.split(',').map(value => Number.parseInt(value, 10));\n    }\n    if (typeof offset === 'function') {\n      return popperData => offset(popperData, this._element);\n    }\n    return offset;\n  }\n  _resolvePossibleFunction(arg) {\n    return execute(arg, [this._element]);\n  }\n  _getPopperConfig(attachment) {\n    const defaultBsPopperConfig = {\n      placement: attachment,\n      modifiers: [{\n        name: 'flip',\n        options: {\n          fallbackPlacements: this._config.fallbackPlacements\n        }\n      }, {\n        name: 'offset',\n        options: {\n          offset: this._getOffset()\n        }\n      }, {\n        name: 'preventOverflow',\n        options: {\n          boundary: this._config.boundary\n        }\n      }, {\n        name: 'arrow',\n        options: {\n          element: `.${this.constructor.NAME}-arrow`\n        }\n      }, {\n        name: 'preSetPlacement',\n        enabled: true,\n        phase: 'beforeMain',\n        fn: data => {\n          // Pre-set Popper's placement attribute in order to read the arrow sizes properly.\n          // Otherwise, Popper mixes up the width and height dimensions since the initial arrow style is for top placement\n          this._getTipElement().setAttribute('data-popper-placement', data.state.placement);\n        }\n      }]\n    };\n    return {\n      ...defaultBsPopperConfig,\n      ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n    };\n  }\n  _setListeners() {\n    const triggers = this._config.trigger.split(' ');\n    for (const trigger of triggers) {\n      if (trigger === 'click') {\n        EventHandler.on(this._element, this.constructor.eventName(EVENT_CLICK$1), this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context.toggle();\n        });\n      } else if (trigger !== TRIGGER_MANUAL) {\n        const eventIn = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSEENTER) : this.constructor.eventName(EVENT_FOCUSIN$1);\n        const eventOut = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSELEAVE) : this.constructor.eventName(EVENT_FOCUSOUT$1);\n        EventHandler.on(this._element, eventIn, this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context._activeTrigger[event.type === 'focusin' ? TRIGGER_FOCUS : TRIGGER_HOVER] = true;\n          context._enter();\n        });\n        EventHandler.on(this._element, eventOut, this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context._activeTrigger[event.type === 'focusout' ? TRIGGER_FOCUS : TRIGGER_HOVER] = context._element.contains(event.relatedTarget);\n          context._leave();\n        });\n      }\n    }\n    this._hideModalHandler = () => {\n      if (this._element) {\n        this.hide();\n      }\n    };\n    EventHandler.on(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n  }\n  _fixTitle() {\n    const title = this._element.getAttribute('title');\n    if (!title) {\n      return;\n    }\n    if (!this._element.getAttribute('aria-label') && !this._element.textContent.trim()) {\n      this._element.setAttribute('aria-label', title);\n    }\n    this._element.setAttribute('data-bs-original-title', title); // DO NOT USE IT. Is only for backwards compatibility\n    this._element.removeAttribute('title');\n  }\n  _enter() {\n    if (this._isShown() || this._isHovered) {\n      this._isHovered = true;\n      return;\n    }\n    this._isHovered = true;\n    this._setTimeout(() => {\n      if (this._isHovered) {\n        this.show();\n      }\n    }, this._config.delay.show);\n  }\n  _leave() {\n    if (this._isWithActiveTrigger()) {\n      return;\n    }\n    this._isHovered = false;\n    this._setTimeout(() => {\n      if (!this._isHovered) {\n        this.hide();\n      }\n    }, this._config.delay.hide);\n  }\n  _setTimeout(handler, timeout) {\n    clearTimeout(this._timeout);\n    this._timeout = setTimeout(handler, timeout);\n  }\n  _isWithActiveTrigger() {\n    return Object.values(this._activeTrigger).includes(true);\n  }\n  _getConfig(config) {\n    const dataAttributes = Manipulator.getDataAttributes(this._element);\n    for (const dataAttribute of Object.keys(dataAttributes)) {\n      if (DISALLOWED_ATTRIBUTES.has(dataAttribute)) {\n        delete dataAttributes[dataAttribute];\n      }\n    }\n    config = {\n      ...dataAttributes,\n      ...(typeof config === 'object' && config ? config : {})\n    };\n    config = this._mergeConfigObj(config);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n  _configAfterMerge(config) {\n    config.container = config.container === false ? document.body : getElement(config.container);\n    if (typeof config.delay === 'number') {\n      config.delay = {\n        show: config.delay,\n        hide: config.delay\n      };\n    }\n    if (typeof config.title === 'number') {\n      config.title = config.title.toString();\n    }\n    if (typeof config.content === 'number') {\n      config.content = config.content.toString();\n    }\n    return config;\n  }\n  _getDelegateConfig() {\n    const config = {};\n    for (const [key, value] of Object.entries(this._config)) {\n      if (this.constructor.Default[key] !== value) {\n        config[key] = value;\n      }\n    }\n    config.selector = false;\n    config.trigger = 'manual';\n\n    // In the future can be replaced with:\n    // const keysWithDifferentValues = Object.entries(this._config).filter(entry => this.constructor.Default[entry[0]] !== this._config[entry[0]])\n    // `Object.fromEntries(keysWithDifferentValues)`\n    return config;\n  }\n  _disposePopper() {\n    if (this._popper) {\n      this._popper.destroy();\n      this._popper = null;\n    }\n    if (this.tip) {\n      this.tip.remove();\n      this.tip = null;\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Tooltip.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Tooltip);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap popover.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$3 = 'popover';\nconst SELECTOR_TITLE = '.popover-header';\nconst SELECTOR_CONTENT = '.popover-body';\nconst Default$2 = {\n  ...Tooltip.Default,\n  content: '',\n  offset: [0, 8],\n  placement: 'right',\n  template: '<div class=\"popover\" role=\"tooltip\">' + '<div class=\"popover-arrow\"></div>' + '<h3 class=\"popover-header\"></h3>' + '<div class=\"popover-body\"></div>' + '</div>',\n  trigger: 'click'\n};\nconst DefaultType$2 = {\n  ...Tooltip.DefaultType,\n  content: '(null|string|element|function)'\n};\n\n/**\n * Class definition\n */\n\nclass Popover extends Tooltip {\n  // Getters\n  static get Default() {\n    return Default$2;\n  }\n  static get DefaultType() {\n    return DefaultType$2;\n  }\n  static get NAME() {\n    return NAME$3;\n  }\n\n  // Overrides\n  _isWithContent() {\n    return this._getTitle() || this._getContent();\n  }\n\n  // Private\n  _getContentForTemplate() {\n    return {\n      [SELECTOR_TITLE]: this._getTitle(),\n      [SELECTOR_CONTENT]: this._getContent()\n    };\n  }\n  _getContent() {\n    return this._resolvePossibleFunction(this._config.content);\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Popover.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Popover);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap scrollspy.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$2 = 'scrollspy';\nconst DATA_KEY$2 = 'bs.scrollspy';\nconst EVENT_KEY$2 = `.${DATA_KEY$2}`;\nconst DATA_API_KEY = '.data-api';\nconst EVENT_ACTIVATE = `activate${EVENT_KEY$2}`;\nconst EVENT_CLICK = `click${EVENT_KEY$2}`;\nconst EVENT_LOAD_DATA_API$1 = `load${EVENT_KEY$2}${DATA_API_KEY}`;\nconst CLASS_NAME_DROPDOWN_ITEM = 'dropdown-item';\nconst CLASS_NAME_ACTIVE$1 = 'active';\nconst SELECTOR_DATA_SPY = '[data-bs-spy=\"scroll\"]';\nconst SELECTOR_TARGET_LINKS = '[href]';\nconst SELECTOR_NAV_LIST_GROUP = '.nav, .list-group';\nconst SELECTOR_NAV_LINKS = '.nav-link';\nconst SELECTOR_NAV_ITEMS = '.nav-item';\nconst SELECTOR_LIST_ITEMS = '.list-group-item';\nconst SELECTOR_LINK_ITEMS = `${SELECTOR_NAV_LINKS}, ${SELECTOR_NAV_ITEMS} > ${SELECTOR_NAV_LINKS}, ${SELECTOR_LIST_ITEMS}`;\nconst SELECTOR_DROPDOWN = '.dropdown';\nconst SELECTOR_DROPDOWN_TOGGLE$1 = '.dropdown-toggle';\nconst Default$1 = {\n  offset: null,\n  // TODO: v6 @deprecated, keep it for backwards compatibility reasons\n  rootMargin: '0px 0px -25%',\n  smoothScroll: false,\n  target: null,\n  threshold: [0.1, 0.5, 1]\n};\nconst DefaultType$1 = {\n  offset: '(number|null)',\n  // TODO v6 @deprecated, keep it for backwards compatibility reasons\n  rootMargin: 'string',\n  smoothScroll: 'boolean',\n  target: 'element',\n  threshold: 'array'\n};\n\n/**\n * Class definition\n */\n\nclass ScrollSpy extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n\n    // this._element is the observablesContainer and config.target the menu links wrapper\n    this._targetLinks = new Map();\n    this._observableSections = new Map();\n    this._rootElement = getComputedStyle(this._element).overflowY === 'visible' ? null : this._element;\n    this._activeTarget = null;\n    this._observer = null;\n    this._previousScrollData = {\n      visibleEntryTop: 0,\n      parentScrollTop: 0\n    };\n    this.refresh(); // initialize\n  }\n\n  // Getters\n  static get Default() {\n    return Default$1;\n  }\n  static get DefaultType() {\n    return DefaultType$1;\n  }\n  static get NAME() {\n    return NAME$2;\n  }\n\n  // Public\n  refresh() {\n    this._initializeTargetsAndObservables();\n    this._maybeEnableSmoothScroll();\n    if (this._observer) {\n      this._observer.disconnect();\n    } else {\n      this._observer = this._getNewObserver();\n    }\n    for (const section of this._observableSections.values()) {\n      this._observer.observe(section);\n    }\n  }\n  dispose() {\n    this._observer.disconnect();\n    super.dispose();\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    // TODO: on v6 target should be given explicitly & remove the {target: 'ss-target'} case\n    config.target = getElement(config.target) || document.body;\n\n    // TODO: v6 Only for backwards compatibility reasons. Use rootMargin only\n    config.rootMargin = config.offset ? `${config.offset}px 0px -30%` : config.rootMargin;\n    if (typeof config.threshold === 'string') {\n      config.threshold = config.threshold.split(',').map(value => Number.parseFloat(value));\n    }\n    return config;\n  }\n  _maybeEnableSmoothScroll() {\n    if (!this._config.smoothScroll) {\n      return;\n    }\n\n    // unregister any previous listeners\n    EventHandler.off(this._config.target, EVENT_CLICK);\n    EventHandler.on(this._config.target, EVENT_CLICK, SELECTOR_TARGET_LINKS, event => {\n      const observableSection = this._observableSections.get(event.target.hash);\n      if (observableSection) {\n        event.preventDefault();\n        const root = this._rootElement || window;\n        const height = observableSection.offsetTop - this._element.offsetTop;\n        if (root.scrollTo) {\n          root.scrollTo({\n            top: height,\n            behavior: 'smooth'\n          });\n          return;\n        }\n\n        // Chrome 60 doesn't support `scrollTo`\n        root.scrollTop = height;\n      }\n    });\n  }\n  _getNewObserver() {\n    const options = {\n      root: this._rootElement,\n      threshold: this._config.threshold,\n      rootMargin: this._config.rootMargin\n    };\n    return new IntersectionObserver(entries => this._observerCallback(entries), options);\n  }\n\n  // The logic of selection\n  _observerCallback(entries) {\n    const targetElement = entry => this._targetLinks.get(`#${entry.target.id}`);\n    const activate = entry => {\n      this._previousScrollData.visibleEntryTop = entry.target.offsetTop;\n      this._process(targetElement(entry));\n    };\n    const parentScrollTop = (this._rootElement || document.documentElement).scrollTop;\n    const userScrollsDown = parentScrollTop >= this._previousScrollData.parentScrollTop;\n    this._previousScrollData.parentScrollTop = parentScrollTop;\n    for (const entry of entries) {\n      if (!entry.isIntersecting) {\n        this._activeTarget = null;\n        this._clearActiveClass(targetElement(entry));\n        continue;\n      }\n      const entryIsLowerThanPrevious = entry.target.offsetTop >= this._previousScrollData.visibleEntryTop;\n      // if we are scrolling down, pick the bigger offsetTop\n      if (userScrollsDown && entryIsLowerThanPrevious) {\n        activate(entry);\n        // if parent isn't scrolled, let's keep the first visible item, breaking the iteration\n        if (!parentScrollTop) {\n          return;\n        }\n        continue;\n      }\n\n      // if we are scrolling up, pick the smallest offsetTop\n      if (!userScrollsDown && !entryIsLowerThanPrevious) {\n        activate(entry);\n      }\n    }\n  }\n  _initializeTargetsAndObservables() {\n    this._targetLinks = new Map();\n    this._observableSections = new Map();\n    const targetLinks = SelectorEngine.find(SELECTOR_TARGET_LINKS, this._config.target);\n    for (const anchor of targetLinks) {\n      // ensure that the anchor has an id and is not disabled\n      if (!anchor.hash || isDisabled(anchor)) {\n        continue;\n      }\n      const observableSection = SelectorEngine.findOne(decodeURI(anchor.hash), this._element);\n\n      // ensure that the observableSection exists & is visible\n      if (isVisible(observableSection)) {\n        this._targetLinks.set(decodeURI(anchor.hash), anchor);\n        this._observableSections.set(anchor.hash, observableSection);\n      }\n    }\n  }\n  _process(target) {\n    if (this._activeTarget === target) {\n      return;\n    }\n    this._clearActiveClass(this._config.target);\n    this._activeTarget = target;\n    target.classList.add(CLASS_NAME_ACTIVE$1);\n    this._activateParents(target);\n    EventHandler.trigger(this._element, EVENT_ACTIVATE, {\n      relatedTarget: target\n    });\n  }\n  _activateParents(target) {\n    // Activate dropdown parents\n    if (target.classList.contains(CLASS_NAME_DROPDOWN_ITEM)) {\n      SelectorEngine.findOne(SELECTOR_DROPDOWN_TOGGLE$1, target.closest(SELECTOR_DROPDOWN)).classList.add(CLASS_NAME_ACTIVE$1);\n      return;\n    }\n    for (const listGroup of SelectorEngine.parents(target, SELECTOR_NAV_LIST_GROUP)) {\n      // Set triggered links parents as active\n      // With both <ul> and <nav> markup a parent is the previous sibling of any nav ancestor\n      for (const item of SelectorEngine.prev(listGroup, SELECTOR_LINK_ITEMS)) {\n        item.classList.add(CLASS_NAME_ACTIVE$1);\n      }\n    }\n  }\n  _clearActiveClass(parent) {\n    parent.classList.remove(CLASS_NAME_ACTIVE$1);\n    const activeNodes = SelectorEngine.find(`${SELECTOR_TARGET_LINKS}.${CLASS_NAME_ACTIVE$1}`, parent);\n    for (const node of activeNodes) {\n      node.classList.remove(CLASS_NAME_ACTIVE$1);\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = ScrollSpy.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(window, EVENT_LOAD_DATA_API$1, () => {\n  for (const spy of SelectorEngine.find(SELECTOR_DATA_SPY)) {\n    ScrollSpy.getOrCreateInstance(spy);\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(ScrollSpy);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap tab.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$1 = 'tab';\nconst DATA_KEY$1 = 'bs.tab';\nconst EVENT_KEY$1 = `.${DATA_KEY$1}`;\nconst EVENT_HIDE$1 = `hide${EVENT_KEY$1}`;\nconst EVENT_HIDDEN$1 = `hidden${EVENT_KEY$1}`;\nconst EVENT_SHOW$1 = `show${EVENT_KEY$1}`;\nconst EVENT_SHOWN$1 = `shown${EVENT_KEY$1}`;\nconst EVENT_CLICK_DATA_API = `click${EVENT_KEY$1}`;\nconst EVENT_KEYDOWN = `keydown${EVENT_KEY$1}`;\nconst EVENT_LOAD_DATA_API = `load${EVENT_KEY$1}`;\nconst ARROW_LEFT_KEY = 'ArrowLeft';\nconst ARROW_RIGHT_KEY = 'ArrowRight';\nconst ARROW_UP_KEY = 'ArrowUp';\nconst ARROW_DOWN_KEY = 'ArrowDown';\nconst HOME_KEY = 'Home';\nconst END_KEY = 'End';\nconst CLASS_NAME_ACTIVE = 'active';\nconst CLASS_NAME_FADE$1 = 'fade';\nconst CLASS_NAME_SHOW$1 = 'show';\nconst CLASS_DROPDOWN = 'dropdown';\nconst SELECTOR_DROPDOWN_TOGGLE = '.dropdown-toggle';\nconst SELECTOR_DROPDOWN_MENU = '.dropdown-menu';\nconst NOT_SELECTOR_DROPDOWN_TOGGLE = `:not(${SELECTOR_DROPDOWN_TOGGLE})`;\nconst SELECTOR_TAB_PANEL = '.list-group, .nav, [role=\"tablist\"]';\nconst SELECTOR_OUTER = '.nav-item, .list-group-item';\nconst SELECTOR_INNER = `.nav-link${NOT_SELECTOR_DROPDOWN_TOGGLE}, .list-group-item${NOT_SELECTOR_DROPDOWN_TOGGLE}, [role=\"tab\"]${NOT_SELECTOR_DROPDOWN_TOGGLE}`;\nconst SELECTOR_DATA_TOGGLE = '[data-bs-toggle=\"tab\"], [data-bs-toggle=\"pill\"], [data-bs-toggle=\"list\"]'; // TODO: could only be `tab` in v6\nconst SELECTOR_INNER_ELEM = `${SELECTOR_INNER}, ${SELECTOR_DATA_TOGGLE}`;\nconst SELECTOR_DATA_TOGGLE_ACTIVE = `.${CLASS_NAME_ACTIVE}[data-bs-toggle=\"tab\"], .${CLASS_NAME_ACTIVE}[data-bs-toggle=\"pill\"], .${CLASS_NAME_ACTIVE}[data-bs-toggle=\"list\"]`;\n\n/**\n * Class definition\n */\n\nclass Tab extends BaseComponent {\n  constructor(element) {\n    super(element);\n    this._parent = this._element.closest(SELECTOR_TAB_PANEL);\n    if (!this._parent) {\n      return;\n      // TODO: should throw exception in v6\n      // throw new TypeError(`${element.outerHTML} has not a valid parent ${SELECTOR_INNER_ELEM}`)\n    }\n\n    // Set up initial aria attributes\n    this._setInitialAttributes(this._parent, this._getChildren());\n    EventHandler.on(this._element, EVENT_KEYDOWN, event => this._keydown(event));\n  }\n\n  // Getters\n  static get NAME() {\n    return NAME$1;\n  }\n\n  // Public\n  show() {\n    // Shows this elem and deactivate the active sibling if exists\n    const innerElem = this._element;\n    if (this._elemIsActive(innerElem)) {\n      return;\n    }\n\n    // Search for active tab on same parent to deactivate it\n    const active = this._getActiveElem();\n    const hideEvent = active ? EventHandler.trigger(active, EVENT_HIDE$1, {\n      relatedTarget: innerElem\n    }) : null;\n    const showEvent = EventHandler.trigger(innerElem, EVENT_SHOW$1, {\n      relatedTarget: active\n    });\n    if (showEvent.defaultPrevented || hideEvent && hideEvent.defaultPrevented) {\n      return;\n    }\n    this._deactivate(active, innerElem);\n    this._activate(innerElem, active);\n  }\n\n  // Private\n  _activate(element, relatedElem) {\n    if (!element) {\n      return;\n    }\n    element.classList.add(CLASS_NAME_ACTIVE);\n    this._activate(SelectorEngine.getElementFromSelector(element)); // Search and activate/show the proper section\n\n    const complete = () => {\n      if (element.getAttribute('role') !== 'tab') {\n        element.classList.add(CLASS_NAME_SHOW$1);\n        return;\n      }\n      element.removeAttribute('tabindex');\n      element.setAttribute('aria-selected', true);\n      this._toggleDropDown(element, true);\n      EventHandler.trigger(element, EVENT_SHOWN$1, {\n        relatedTarget: relatedElem\n      });\n    };\n    this._queueCallback(complete, element, element.classList.contains(CLASS_NAME_FADE$1));\n  }\n  _deactivate(element, relatedElem) {\n    if (!element) {\n      return;\n    }\n    element.classList.remove(CLASS_NAME_ACTIVE);\n    element.blur();\n    this._deactivate(SelectorEngine.getElementFromSelector(element)); // Search and deactivate the shown section too\n\n    const complete = () => {\n      if (element.getAttribute('role') !== 'tab') {\n        element.classList.remove(CLASS_NAME_SHOW$1);\n        return;\n      }\n      element.setAttribute('aria-selected', false);\n      element.setAttribute('tabindex', '-1');\n      this._toggleDropDown(element, false);\n      EventHandler.trigger(element, EVENT_HIDDEN$1, {\n        relatedTarget: relatedElem\n      });\n    };\n    this._queueCallback(complete, element, element.classList.contains(CLASS_NAME_FADE$1));\n  }\n  _keydown(event) {\n    if (![ARROW_LEFT_KEY, ARROW_RIGHT_KEY, ARROW_UP_KEY, ARROW_DOWN_KEY, HOME_KEY, END_KEY].includes(event.key)) {\n      return;\n    }\n    event.stopPropagation(); // stopPropagation/preventDefault both added to support up/down keys without scrolling the page\n    event.preventDefault();\n    const children = this._getChildren().filter(element => !isDisabled(element));\n    let nextActiveElement;\n    if ([HOME_KEY, END_KEY].includes(event.key)) {\n      nextActiveElement = children[event.key === HOME_KEY ? 0 : children.length - 1];\n    } else {\n      const isNext = [ARROW_RIGHT_KEY, ARROW_DOWN_KEY].includes(event.key);\n      nextActiveElement = getNextActiveElement(children, event.target, isNext, true);\n    }\n    if (nextActiveElement) {\n      nextActiveElement.focus({\n        preventScroll: true\n      });\n      Tab.getOrCreateInstance(nextActiveElement).show();\n    }\n  }\n  _getChildren() {\n    // collection of inner elements\n    return SelectorEngine.find(SELECTOR_INNER_ELEM, this._parent);\n  }\n  _getActiveElem() {\n    return this._getChildren().find(child => this._elemIsActive(child)) || null;\n  }\n  _setInitialAttributes(parent, children) {\n    this._setAttributeIfNotExists(parent, 'role', 'tablist');\n    for (const child of children) {\n      this._setInitialAttributesOnChild(child);\n    }\n  }\n  _setInitialAttributesOnChild(child) {\n    child = this._getInnerElement(child);\n    const isActive = this._elemIsActive(child);\n    const outerElem = this._getOuterElement(child);\n    child.setAttribute('aria-selected', isActive);\n    if (outerElem !== child) {\n      this._setAttributeIfNotExists(outerElem, 'role', 'presentation');\n    }\n    if (!isActive) {\n      child.setAttribute('tabindex', '-1');\n    }\n    this._setAttributeIfNotExists(child, 'role', 'tab');\n\n    // set attributes to the related panel too\n    this._setInitialAttributesOnTargetPanel(child);\n  }\n  _setInitialAttributesOnTargetPanel(child) {\n    const target = SelectorEngine.getElementFromSelector(child);\n    if (!target) {\n      return;\n    }\n    this._setAttributeIfNotExists(target, 'role', 'tabpanel');\n    if (child.id) {\n      this._setAttributeIfNotExists(target, 'aria-labelledby', `${child.id}`);\n    }\n  }\n  _toggleDropDown(element, open) {\n    const outerElem = this._getOuterElement(element);\n    if (!outerElem.classList.contains(CLASS_DROPDOWN)) {\n      return;\n    }\n    const toggle = (selector, className) => {\n      const element = SelectorEngine.findOne(selector, outerElem);\n      if (element) {\n        element.classList.toggle(className, open);\n      }\n    };\n    toggle(SELECTOR_DROPDOWN_TOGGLE, CLASS_NAME_ACTIVE);\n    toggle(SELECTOR_DROPDOWN_MENU, CLASS_NAME_SHOW$1);\n    outerElem.setAttribute('aria-expanded', open);\n  }\n  _setAttributeIfNotExists(element, attribute, value) {\n    if (!element.hasAttribute(attribute)) {\n      element.setAttribute(attribute, value);\n    }\n  }\n  _elemIsActive(elem) {\n    return elem.classList.contains(CLASS_NAME_ACTIVE);\n  }\n\n  // Try to get the inner element (usually the .nav-link)\n  _getInnerElement(elem) {\n    return elem.matches(SELECTOR_INNER_ELEM) ? elem : SelectorEngine.findOne(SELECTOR_INNER_ELEM, elem);\n  }\n\n  // Try to get the outer element (usually the .nav-item)\n  _getOuterElement(elem) {\n    return elem.closest(SELECTOR_OUTER) || elem;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Tab.getOrCreateInstance(this);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API, SELECTOR_DATA_TOGGLE, function (event) {\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  if (isDisabled(this)) {\n    return;\n  }\n  Tab.getOrCreateInstance(this).show();\n});\n\n/**\n * Initialize on focus\n */\nEventHandler.on(window, EVENT_LOAD_DATA_API, () => {\n  for (const element of SelectorEngine.find(SELECTOR_DATA_TOGGLE_ACTIVE)) {\n    Tab.getOrCreateInstance(element);\n  }\n});\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Tab);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap toast.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME = 'toast';\nconst DATA_KEY = 'bs.toast';\nconst EVENT_KEY = `.${DATA_KEY}`;\nconst EVENT_MOUSEOVER = `mouseover${EVENT_KEY}`;\nconst EVENT_MOUSEOUT = `mouseout${EVENT_KEY}`;\nconst EVENT_FOCUSIN = `focusin${EVENT_KEY}`;\nconst EVENT_FOCUSOUT = `focusout${EVENT_KEY}`;\nconst EVENT_HIDE = `hide${EVENT_KEY}`;\nconst EVENT_HIDDEN = `hidden${EVENT_KEY}`;\nconst EVENT_SHOW = `show${EVENT_KEY}`;\nconst EVENT_SHOWN = `shown${EVENT_KEY}`;\nconst CLASS_NAME_FADE = 'fade';\nconst CLASS_NAME_HIDE = 'hide'; // @deprecated - kept here only for backwards compatibility\nconst CLASS_NAME_SHOW = 'show';\nconst CLASS_NAME_SHOWING = 'showing';\nconst DefaultType = {\n  animation: 'boolean',\n  autohide: 'boolean',\n  delay: 'number'\n};\nconst Default = {\n  animation: true,\n  autohide: true,\n  delay: 5000\n};\n\n/**\n * Class definition\n */\n\nclass Toast extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._timeout = null;\n    this._hasMouseInteraction = false;\n    this._hasKeyboardInteraction = false;\n    this._setListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default;\n  }\n  static get DefaultType() {\n    return DefaultType;\n  }\n  static get NAME() {\n    return NAME;\n  }\n\n  // Public\n  show() {\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW);\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._clearTimeout();\n    if (this._config.animation) {\n      this._element.classList.add(CLASS_NAME_FADE);\n    }\n    const complete = () => {\n      this._element.classList.remove(CLASS_NAME_SHOWING);\n      EventHandler.trigger(this._element, EVENT_SHOWN);\n      this._maybeScheduleHide();\n    };\n    this._element.classList.remove(CLASS_NAME_HIDE); // @deprecated\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_SHOW, CLASS_NAME_SHOWING);\n    this._queueCallback(complete, this._element, this._config.animation);\n  }\n  hide() {\n    if (!this.isShown()) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const complete = () => {\n      this._element.classList.add(CLASS_NAME_HIDE); // @deprecated\n      this._element.classList.remove(CLASS_NAME_SHOWING, CLASS_NAME_SHOW);\n      EventHandler.trigger(this._element, EVENT_HIDDEN);\n    };\n    this._element.classList.add(CLASS_NAME_SHOWING);\n    this._queueCallback(complete, this._element, this._config.animation);\n  }\n  dispose() {\n    this._clearTimeout();\n    if (this.isShown()) {\n      this._element.classList.remove(CLASS_NAME_SHOW);\n    }\n    super.dispose();\n  }\n  isShown() {\n    return this._element.classList.contains(CLASS_NAME_SHOW);\n  }\n\n  // Private\n\n  _maybeScheduleHide() {\n    if (!this._config.autohide) {\n      return;\n    }\n    if (this._hasMouseInteraction || this._hasKeyboardInteraction) {\n      return;\n    }\n    this._timeout = setTimeout(() => {\n      this.hide();\n    }, this._config.delay);\n  }\n  _onInteraction(event, isInteracting) {\n    switch (event.type) {\n      case 'mouseover':\n      case 'mouseout':\n        {\n          this._hasMouseInteraction = isInteracting;\n          break;\n        }\n      case 'focusin':\n      case 'focusout':\n        {\n          this._hasKeyboardInteraction = isInteracting;\n          break;\n        }\n    }\n    if (isInteracting) {\n      this._clearTimeout();\n      return;\n    }\n    const nextElement = event.relatedTarget;\n    if (this._element === nextElement || this._element.contains(nextElement)) {\n      return;\n    }\n    this._maybeScheduleHide();\n  }\n  _setListeners() {\n    EventHandler.on(this._element, EVENT_MOUSEOVER, event => this._onInteraction(event, true));\n    EventHandler.on(this._element, EVENT_MOUSEOUT, event => this._onInteraction(event, false));\n    EventHandler.on(this._element, EVENT_FOCUSIN, event => this._onInteraction(event, true));\n    EventHandler.on(this._element, EVENT_FOCUSOUT, event => this._onInteraction(event, false));\n  }\n  _clearTimeout() {\n    clearTimeout(this._timeout);\n    this._timeout = null;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Toast.getOrCreateInstance(this, config);\n      if (typeof config === 'string') {\n        if (typeof data[config] === 'undefined') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config](this);\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nenableDismissTrigger(Toast);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Toast);\n\nexport { Alert, Button, Carousel, Collapse, Dropdown, Modal, Offcanvas, Popover, ScrollSpy, Tab, Toast, Tooltip };\n//# sourceMappingURL=bootstrap.esm.js.map\n","/* define several functions to replace jQuery methods\n * inspired by https://tobiasahlin.com/blog/move-from-jquery-to-vanilla-javascript/\n */\n\n/**\n * Execute a method if DOM has finished loading\n *\n * @param {function} callback the method to execute\n */\nexport function documentReady(callback) {\n  if 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(element.nodeName || '').toLowerCase() : null;\n}","export default function getWindow(node) {\n  if (node == null) {\n    return window;\n  }\n\n  if (node.toString() !== '[object Window]') {\n    var ownerDocument = node.ownerDocument;\n    return ownerDocument ? ownerDocument.defaultView || window : window;\n  }\n\n  return node;\n}","import getWindow from \"./getWindow.js\";\n\nfunction isElement(node) {\n  var OwnElement = getWindow(node).Element;\n  return node instanceof OwnElement || node instanceof Element;\n}\n\nfunction isHTMLElement(node) {\n  var OwnElement = getWindow(node).HTMLElement;\n  return node instanceof OwnElement || node instanceof HTMLElement;\n}\n\nfunction isShadowRoot(node) {\n  // IE 11 has no ShadowRoot\n  if (typeof ShadowRoot === 'undefined') {\n    return false;\n  }\n\n  var OwnElement = getWindow(node).ShadowRoot;\n  return node instanceof OwnElement || node instanceof ShadowRoot;\n}\n\nexport { isElement, isHTMLElement, isShadowRoot };","import getNodeName from \"../dom-utils/getNodeName.js\";\nimport { isHTMLElement } from \"../dom-utils/instanceOf.js\"; // This modifier takes the styles prepared by the `computeStyles` modifier\n// and applies them to the HTMLElements such as popper and arrow\n\nfunction applyStyles(_ref) {\n  var state = _ref.state;\n  Object.keys(state.elements).forEach(function (name) {\n    var style = state.styles[name] || {};\n    var attributes = state.attributes[name] || {};\n    var element = state.elements[name]; // arrow is optional + virtual elements\n\n    if (!isHTMLElement(element) || !getNodeName(element)) {\n      return;\n    } // Flow doesn't support to extend this property, but it's the most\n    // effective way to apply styles to an HTMLElement\n    // $FlowFixMe[cannot-write]\n\n\n    Object.assign(element.style, style);\n    Object.keys(attributes).forEach(function (name) {\n      var value = attributes[name];\n\n      if (value === false) {\n        element.removeAttribute(name);\n      } else {\n        element.setAttribute(name, value === true ? '' : value);\n      }\n    });\n  });\n}\n\nfunction effect(_ref2) {\n  var state = _ref2.state;\n  var initialStyles = {\n    popper: {\n      position: state.options.strategy,\n      left: '0',\n      top: '0',\n      margin: '0'\n    },\n    arrow: {\n      position: 'absolute'\n    },\n    reference: {}\n  };\n  Object.assign(state.elements.popper.style, initialStyles.popper);\n  state.styles = initialStyles;\n\n  if (state.elements.arrow) {\n    Object.assign(state.elements.arrow.style, initialStyles.arrow);\n  }\n\n  return function () {\n    Object.keys(state.elements).forEach(function (name) {\n      var element = state.elements[name];\n      var attributes = state.attributes[name] || {};\n      var styleProperties = Object.keys(state.styles.hasOwnProperty(name) ? state.styles[name] : initialStyles[name]); // Set all values to an empty string to unset them\n\n      var style = styleProperties.reduce(function (style, property) {\n        style[property] = '';\n        return style;\n      }, {}); // arrow is optional + virtual elements\n\n      if (!isHTMLElement(element) || !getNodeName(element)) {\n        return;\n      }\n\n      Object.assign(element.style, style);\n      Object.keys(attributes).forEach(function (attribute) {\n        element.removeAttribute(attribute);\n      });\n    });\n  };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'applyStyles',\n  enabled: true,\n  phase: 'write',\n  fn: applyStyles,\n  effect: effect,\n  requires: ['computeStyles']\n};","import { auto } from \"../enums.js\";\nexport default function getBasePlacement(placement) {\n  return placement.split('-')[0];\n}","export var max = Math.max;\nexport var min = Math.min;\nexport var round = Math.round;","export default function getUAString() {\n  var uaData = navigator.userAgentData;\n\n  if (uaData != null && uaData.brands && Array.isArray(uaData.brands)) {\n    return uaData.brands.map(function (item) {\n      return item.brand + \"/\" + item.version;\n    }).join(' ');\n  }\n\n  return navigator.userAgent;\n}","import getUAString from \"../utils/userAgent.js\";\nexport default function isLayoutViewport() {\n  return !/^((?!chrome|android).)*safari/i.test(getUAString());\n}","import { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport { round } from \"../utils/math.js\";\nimport getWindow from \"./getWindow.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getBoundingClientRect(element, includeScale, isFixedStrategy) {\n  if (includeScale === void 0) {\n    includeScale = false;\n  }\n\n  if (isFixedStrategy === void 0) {\n    isFixedStrategy = false;\n  }\n\n  var clientRect = element.getBoundingClientRect();\n  var scaleX = 1;\n  var scaleY = 1;\n\n  if (includeScale && isHTMLElement(element)) {\n    scaleX = element.offsetWidth > 0 ? round(clientRect.width) / element.offsetWidth || 1 : 1;\n    scaleY = element.offsetHeight > 0 ? round(clientRect.height) / element.offsetHeight || 1 : 1;\n  }\n\n  var _ref = isElement(element) ? getWindow(element) : window,\n      visualViewport = _ref.visualViewport;\n\n  var addVisualOffsets = !isLayoutViewport() && isFixedStrategy;\n  var x = (clientRect.left + (addVisualOffsets && visualViewport ? visualViewport.offsetLeft : 0)) / scaleX;\n  var y = (clientRect.top + (addVisualOffsets && visualViewport ? visualViewport.offsetTop : 0)) / scaleY;\n  var width = clientRect.width / scaleX;\n  var height = clientRect.height / scaleY;\n  return {\n    width: width,\n    height: height,\n    top: y,\n    right: x + width,\n    bottom: y + height,\n    left: x,\n    x: x,\n    y: y\n  };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\"; // Returns the layout rect of an element relative to its offsetParent. Layout\n// means it doesn't take into account transforms.\n\nexport default function getLayoutRect(element) {\n  var clientRect = getBoundingClientRect(element); // Use the clientRect sizes if it's not been transformed.\n  // Fixes https://github.com/popperjs/popper-core/issues/1223\n\n  var width = element.offsetWidth;\n  var height = element.offsetHeight;\n\n  if (Math.abs(clientRect.width - width) <= 1) {\n    width = clientRect.width;\n  }\n\n  if (Math.abs(clientRect.height - height) <= 1) {\n    height = clientRect.height;\n  }\n\n  return {\n    x: element.offsetLeft,\n    y: element.offsetTop,\n    width: width,\n    height: height\n  };\n}","import { isShadowRoot } from \"./instanceOf.js\";\nexport default function contains(parent, child) {\n  var rootNode = child.getRootNode && child.getRootNode(); // First, attempt with faster native method\n\n  if (parent.contains(child)) {\n    return true;\n  } // then fallback to custom implementation with Shadow DOM support\n  else if (rootNode && isShadowRoot(rootNode)) {\n      var next = child;\n\n      do {\n        if (next && parent.isSameNode(next)) {\n          return true;\n        } // $FlowFixMe[prop-missing]: need a better way to handle this...\n\n\n        next = next.parentNode || next.host;\n      } while (next);\n    } // Give up, the result is false\n\n\n  return false;\n}","import getWindow from \"./getWindow.js\";\nexport default function getComputedStyle(element) {\n  return getWindow(element).getComputedStyle(element);\n}","import getNodeName from \"./getNodeName.js\";\nexport default function isTableElement(element) {\n  return ['table', 'td', 'th'].indexOf(getNodeName(element)) >= 0;\n}","import { isElement } from \"./instanceOf.js\";\nexport default function getDocumentElement(element) {\n  // $FlowFixMe[incompatible-return]: assume body is always available\n  return ((isElement(element) ? element.ownerDocument : // $FlowFixMe[prop-missing]\n  element.document) || window.document).documentElement;\n}","import getNodeName from \"./getNodeName.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport { isShadowRoot } from \"./instanceOf.js\";\nexport default function getParentNode(element) {\n  if (getNodeName(element) === 'html') {\n    return element;\n  }\n\n  return (// this is a quicker (but less type safe) way to save quite some bytes from the bundle\n    // $FlowFixMe[incompatible-return]\n    // $FlowFixMe[prop-missing]\n    element.assignedSlot || // step into the shadow DOM of the parent of a slotted node\n    element.parentNode || ( // DOM Element detected\n    isShadowRoot(element) ? element.host : null) || // ShadowRoot detected\n    // $FlowFixMe[incompatible-call]: HTMLElement is a Node\n    getDocumentElement(element) // fallback\n\n  );\n}","import getWindow from \"./getWindow.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isHTMLElement, isShadowRoot } from \"./instanceOf.js\";\nimport isTableElement from \"./isTableElement.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getUAString from \"../utils/userAgent.js\";\n\nfunction getTrueOffsetParent(element) {\n  if (!isHTMLElement(element) || // https://github.com/popperjs/popper-core/issues/837\n  getComputedStyle(element).position === 'fixed') {\n    return null;\n  }\n\n  return element.offsetParent;\n} // `.offsetParent` reports `null` for fixed elements, while absolute elements\n// return the containing block\n\n\nfunction getContainingBlock(element) {\n  var isFirefox = /firefox/i.test(getUAString());\n  var isIE = /Trident/i.test(getUAString());\n\n  if (isIE && isHTMLElement(element)) {\n    // In IE 9, 10 and 11 fixed elements containing block is always established by the viewport\n    var elementCss = getComputedStyle(element);\n\n    if (elementCss.position === 'fixed') {\n      return null;\n    }\n  }\n\n  var currentNode = getParentNode(element);\n\n  if (isShadowRoot(currentNode)) {\n    currentNode = currentNode.host;\n  }\n\n  while (isHTMLElement(currentNode) && ['html', 'body'].indexOf(getNodeName(currentNode)) < 0) {\n    var css = getComputedStyle(currentNode); // This is non-exhaustive but covers the most common CSS properties that\n    // create a containing block.\n    // https://developer.mozilla.org/en-US/docs/Web/CSS/Containing_block#identifying_the_containing_block\n\n    if (css.transform !== 'none' || css.perspective !== 'none' || css.contain === 'paint' || ['transform', 'perspective'].indexOf(css.willChange) !== -1 || isFirefox && css.willChange === 'filter' || isFirefox && css.filter && css.filter !== 'none') {\n      return currentNode;\n    } else {\n      currentNode = currentNode.parentNode;\n    }\n  }\n\n  return null;\n} // Gets the closest ancestor positioned element. Handles some edge cases,\n// such as table ancestors and cross browser bugs.\n\n\nexport default function getOffsetParent(element) {\n  var window = getWindow(element);\n  var offsetParent = getTrueOffsetParent(element);\n\n  while (offsetParent && isTableElement(offsetParent) && getComputedStyle(offsetParent).position === 'static') {\n    offsetParent = getTrueOffsetParent(offsetParent);\n  }\n\n  if (offsetParent && (getNodeName(offsetParent) === 'html' || getNodeName(offsetParent) === 'body' && getComputedStyle(offsetParent).position === 'static')) {\n    return window;\n  }\n\n  return offsetParent || getContainingBlock(element) || window;\n}","export default function getMainAxisFromPlacement(placement) {\n  return ['top', 'bottom'].indexOf(placement) >= 0 ? 'x' : 'y';\n}","import { max as mathMax, min as mathMin } from \"./math.js\";\nexport function within(min, value, max) {\n  return mathMax(min, mathMin(value, max));\n}\nexport function withinMaxClamp(min, value, max) {\n  var v = within(min, value, max);\n  return v > max ? max : v;\n}","import getFreshSideObject from \"./getFreshSideObject.js\";\nexport default function mergePaddingObject(paddingObject) {\n  return Object.assign({}, getFreshSideObject(), paddingObject);\n}","export default function getFreshSideObject() {\n  return {\n    top: 0,\n    right: 0,\n    bottom: 0,\n    left: 0\n  };\n}","export default function expandToHashMap(value, keys) {\n  return keys.reduce(function (hashMap, key) {\n    hashMap[key] = value;\n    return hashMap;\n  }, {});\n}","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport contains from \"../dom-utils/contains.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport { within } from \"../utils/within.js\";\nimport mergePaddingObject from \"../utils/mergePaddingObject.js\";\nimport expandToHashMap from \"../utils/expandToHashMap.js\";\nimport { left, right, basePlacements, top, bottom } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar toPaddingObject = function toPaddingObject(padding, state) {\n  padding = typeof padding === 'function' ? padding(Object.assign({}, state.rects, {\n    placement: state.placement\n  })) : padding;\n  return mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n};\n\nfunction arrow(_ref) {\n  var _state$modifiersData$;\n\n  var state = _ref.state,\n      name = _ref.name,\n      options = _ref.options;\n  var arrowElement = state.elements.arrow;\n  var popperOffsets = state.modifiersData.popperOffsets;\n  var basePlacement = getBasePlacement(state.placement);\n  var axis = getMainAxisFromPlacement(basePlacement);\n  var isVertical = [left, right].indexOf(basePlacement) >= 0;\n  var len = isVertical ? 'height' : 'width';\n\n  if (!arrowElement || !popperOffsets) {\n    return;\n  }\n\n  var paddingObject = toPaddingObject(options.padding, state);\n  var arrowRect = getLayoutRect(arrowElement);\n  var minProp = axis === 'y' ? top : left;\n  var maxProp = axis === 'y' ? bottom : right;\n  var endDiff = state.rects.reference[len] + state.rects.reference[axis] - popperOffsets[axis] - state.rects.popper[len];\n  var startDiff = popperOffsets[axis] - state.rects.reference[axis];\n  var arrowOffsetParent = getOffsetParent(arrowElement);\n  var clientSize = arrowOffsetParent ? axis === 'y' ? arrowOffsetParent.clientHeight || 0 : arrowOffsetParent.clientWidth || 0 : 0;\n  var centerToReference = endDiff / 2 - startDiff / 2; // Make sure the arrow doesn't overflow the popper if the center point is\n  // outside of the popper bounds\n\n  var min = paddingObject[minProp];\n  var max = clientSize - arrowRect[len] - paddingObject[maxProp];\n  var center = clientSize / 2 - arrowRect[len] / 2 + centerToReference;\n  var offset = within(min, center, max); // Prevents breaking syntax highlighting...\n\n  var axisProp = axis;\n  state.modifiersData[name] = (_state$modifiersData$ = {}, _state$modifiersData$[axisProp] = offset, _state$modifiersData$.centerOffset = offset - center, _state$modifiersData$);\n}\n\nfunction effect(_ref2) {\n  var state = _ref2.state,\n      options = _ref2.options;\n  var _options$element = options.element,\n      arrowElement = _options$element === void 0 ? '[data-popper-arrow]' : _options$element;\n\n  if (arrowElement == null) {\n    return;\n  } // CSS selector\n\n\n  if (typeof arrowElement === 'string') {\n    arrowElement = state.elements.popper.querySelector(arrowElement);\n\n    if (!arrowElement) {\n      return;\n    }\n  }\n\n  if (!contains(state.elements.popper, arrowElement)) {\n    return;\n  }\n\n  state.elements.arrow = arrowElement;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'arrow',\n  enabled: true,\n  phase: 'main',\n  fn: arrow,\n  effect: effect,\n  requires: ['popperOffsets'],\n  requiresIfExists: ['preventOverflow']\n};","export default function getVariation(placement) {\n  return placement.split('-')[1];\n}","import { top, left, right, bottom, end } from \"../enums.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getWindow from \"../dom-utils/getWindow.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getComputedStyle from \"../dom-utils/getComputedStyle.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport { round } from \"../utils/math.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar unsetSides = {\n  top: 'auto',\n  right: 'auto',\n  bottom: 'auto',\n  left: 'auto'\n}; // Round the offsets to the nearest suitable subpixel based on the DPR.\n// Zooming can change the DPR, but it seems to report a value that will\n// cleanly divide the values into the appropriate subpixels.\n\nfunction roundOffsetsByDPR(_ref, win) {\n  var x = _ref.x,\n      y = _ref.y;\n  var dpr = win.devicePixelRatio || 1;\n  return {\n    x: round(x * dpr) / dpr || 0,\n    y: round(y * dpr) / dpr || 0\n  };\n}\n\nexport function mapToStyles(_ref2) {\n  var _Object$assign2;\n\n  var popper = _ref2.popper,\n      popperRect = _ref2.popperRect,\n      placement = _ref2.placement,\n      variation = _ref2.variation,\n      offsets = _ref2.offsets,\n      position = _ref2.position,\n      gpuAcceleration = _ref2.gpuAcceleration,\n      adaptive = _ref2.adaptive,\n      roundOffsets = _ref2.roundOffsets,\n      isFixed = _ref2.isFixed;\n  var _offsets$x = offsets.x,\n      x = _offsets$x === void 0 ? 0 : _offsets$x,\n      _offsets$y = offsets.y,\n      y = _offsets$y === void 0 ? 0 : _offsets$y;\n\n  var _ref3 = typeof roundOffsets === 'function' ? roundOffsets({\n    x: x,\n    y: y\n  }) : {\n    x: x,\n    y: y\n  };\n\n  x = _ref3.x;\n  y = _ref3.y;\n  var hasX = offsets.hasOwnProperty('x');\n  var hasY = offsets.hasOwnProperty('y');\n  var sideX = left;\n  var sideY = top;\n  var win = window;\n\n  if (adaptive) {\n    var offsetParent = getOffsetParent(popper);\n    var heightProp = 'clientHeight';\n    var widthProp = 'clientWidth';\n\n    if (offsetParent === getWindow(popper)) {\n      offsetParent = getDocumentElement(popper);\n\n      if (getComputedStyle(offsetParent).position !== 'static' && position === 'absolute') {\n        heightProp = 'scrollHeight';\n        widthProp = 'scrollWidth';\n      }\n    } // $FlowFixMe[incompatible-cast]: force type refinement, we compare offsetParent with window above, but Flow doesn't detect it\n\n\n    offsetParent = offsetParent;\n\n    if (placement === top || (placement === left || placement === right) && variation === end) {\n      sideY = bottom;\n      var offsetY = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.height : // $FlowFixMe[prop-missing]\n      offsetParent[heightProp];\n      y -= offsetY - popperRect.height;\n      y *= gpuAcceleration ? 1 : -1;\n    }\n\n    if (placement === left || (placement === top || placement === bottom) && variation === end) {\n      sideX = right;\n      var offsetX = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.width : // $FlowFixMe[prop-missing]\n      offsetParent[widthProp];\n      x -= offsetX - popperRect.width;\n      x *= gpuAcceleration ? 1 : -1;\n    }\n  }\n\n  var commonStyles = Object.assign({\n    position: position\n  }, adaptive && unsetSides);\n\n  var _ref4 = roundOffsets === true ? roundOffsetsByDPR({\n    x: x,\n    y: y\n  }, getWindow(popper)) : {\n    x: x,\n    y: y\n  };\n\n  x = _ref4.x;\n  y = _ref4.y;\n\n  if (gpuAcceleration) {\n    var _Object$assign;\n\n    return Object.assign({}, commonStyles, (_Object$assign = {}, _Object$assign[sideY] = hasY ? '0' : '', _Object$assign[sideX] = hasX ? '0' : '', _Object$assign.transform = (win.devicePixelRatio || 1) <= 1 ? \"translate(\" + x + \"px, \" + y + \"px)\" : \"translate3d(\" + x + \"px, \" + y + \"px, 0)\", _Object$assign));\n  }\n\n  return Object.assign({}, commonStyles, (_Object$assign2 = {}, _Object$assign2[sideY] = hasY ? y + \"px\" : '', _Object$assign2[sideX] = hasX ? x + \"px\" : '', _Object$assign2.transform = '', _Object$assign2));\n}\n\nfunction computeStyles(_ref5) {\n  var state = _ref5.state,\n      options = _ref5.options;\n  var _options$gpuAccelerat = options.gpuAcceleration,\n      gpuAcceleration = _options$gpuAccelerat === void 0 ? true : _options$gpuAccelerat,\n      _options$adaptive = options.adaptive,\n      adaptive = _options$adaptive === void 0 ? true : _options$adaptive,\n      _options$roundOffsets = options.roundOffsets,\n      roundOffsets = _options$roundOffsets === void 0 ? true : _options$roundOffsets;\n  var commonStyles = {\n    placement: getBasePlacement(state.placement),\n    variation: getVariation(state.placement),\n    popper: state.elements.popper,\n    popperRect: state.rects.popper,\n    gpuAcceleration: gpuAcceleration,\n    isFixed: state.options.strategy === 'fixed'\n  };\n\n  if (state.modifiersData.popperOffsets != null) {\n    state.styles.popper = Object.assign({}, state.styles.popper, mapToStyles(Object.assign({}, commonStyles, {\n      offsets: state.modifiersData.popperOffsets,\n      position: state.options.strategy,\n      adaptive: adaptive,\n      roundOffsets: roundOffsets\n    })));\n  }\n\n  if (state.modifiersData.arrow != null) {\n    state.styles.arrow = Object.assign({}, state.styles.arrow, mapToStyles(Object.assign({}, commonStyles, {\n      offsets: state.modifiersData.arrow,\n      position: 'absolute',\n      adaptive: false,\n      roundOffsets: roundOffsets\n    })));\n  }\n\n  state.attributes.popper = Object.assign({}, state.attributes.popper, {\n    'data-popper-placement': state.placement\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'computeStyles',\n  enabled: true,\n  phase: 'beforeWrite',\n  fn: computeStyles,\n  data: {}\n};","import getWindow from \"../dom-utils/getWindow.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar passive = {\n  passive: true\n};\n\nfunction effect(_ref) {\n  var state = _ref.state,\n      instance = _ref.instance,\n      options = _ref.options;\n  var _options$scroll = options.scroll,\n      scroll = _options$scroll === void 0 ? true : _options$scroll,\n      _options$resize = options.resize,\n      resize = _options$resize === void 0 ? true : _options$resize;\n  var window = getWindow(state.elements.popper);\n  var scrollParents = [].concat(state.scrollParents.reference, state.scrollParents.popper);\n\n  if (scroll) {\n    scrollParents.forEach(function (scrollParent) {\n      scrollParent.addEventListener('scroll', instance.update, passive);\n    });\n  }\n\n  if (resize) {\n    window.addEventListener('resize', instance.update, passive);\n  }\n\n  return function () {\n    if (scroll) {\n      scrollParents.forEach(function (scrollParent) {\n        scrollParent.removeEventListener('scroll', instance.update, passive);\n      });\n    }\n\n    if (resize) {\n      window.removeEventListener('resize', instance.update, passive);\n    }\n  };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'eventListeners',\n  enabled: true,\n  phase: 'write',\n  fn: function fn() {},\n  effect: effect,\n  data: {}\n};","var hash = {\n  left: 'right',\n  right: 'left',\n  bottom: 'top',\n  top: 'bottom'\n};\nexport default function getOppositePlacement(placement) {\n  return placement.replace(/left|right|bottom|top/g, function (matched) {\n    return hash[matched];\n  });\n}","var hash = {\n  start: 'end',\n  end: 'start'\n};\nexport default function getOppositeVariationPlacement(placement) {\n  return placement.replace(/start|end/g, function (matched) {\n    return hash[matched];\n  });\n}","import getWindow from \"./getWindow.js\";\nexport default function getWindowScroll(node) {\n  var win = getWindow(node);\n  var scrollLeft = win.pageXOffset;\n  var scrollTop = win.pageYOffset;\n  return {\n    scrollLeft: scrollLeft,\n    scrollTop: scrollTop\n  };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nexport default function getWindowScrollBarX(element) {\n  // If <html> has a CSS width greater than the viewport, then this will be\n  // incorrect for RTL.\n  // Popper 1 is broken in this case and never had a bug report so let's assume\n  // it's not an issue. I don't think anyone ever specifies width on <html>\n  // anyway.\n  // Browsers where the left scrollbar doesn't cause an issue report `0` for\n  // this (e.g. Edge 2019, IE11, Safari)\n  return getBoundingClientRect(getDocumentElement(element)).left + getWindowScroll(element).scrollLeft;\n}","import getComputedStyle from \"./getComputedStyle.js\";\nexport default function isScrollParent(element) {\n  // Firefox wants us to check `-x` and `-y` variations as well\n  var _getComputedStyle = getComputedStyle(element),\n      overflow = _getComputedStyle.overflow,\n      overflowX = _getComputedStyle.overflowX,\n      overflowY = _getComputedStyle.overflowY;\n\n  return /auto|scroll|overlay|hidden/.test(overflow + overflowY + overflowX);\n}","import getParentNode from \"./getParentNode.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nexport default function getScrollParent(node) {\n  if (['html', 'body', '#document'].indexOf(getNodeName(node)) >= 0) {\n    // $FlowFixMe[incompatible-return]: assume body is always available\n    return node.ownerDocument.body;\n  }\n\n  if (isHTMLElement(node) && isScrollParent(node)) {\n    return node;\n  }\n\n  return getScrollParent(getParentNode(node));\n}","import getScrollParent from \"./getScrollParent.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getWindow from \"./getWindow.js\";\nimport isScrollParent from \"./isScrollParent.js\";\n/*\ngiven a DOM element, return the list of all scroll parents, up the list of ancesors\nuntil we get to the top window object. This list is what we attach scroll listeners\nto, because if any of these parent elements scroll, we'll need to re-calculate the\nreference element's position.\n*/\n\nexport default function listScrollParents(element, list) {\n  var _element$ownerDocumen;\n\n  if (list === void 0) {\n    list = [];\n  }\n\n  var scrollParent = getScrollParent(element);\n  var isBody = scrollParent === ((_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body);\n  var win = getWindow(scrollParent);\n  var target = isBody ? [win].concat(win.visualViewport || [], isScrollParent(scrollParent) ? scrollParent : []) : scrollParent;\n  var updatedList = list.concat(target);\n  return isBody ? updatedList : // $FlowFixMe[incompatible-call]: isBody tells us target will be an HTMLElement here\n  updatedList.concat(listScrollParents(getParentNode(target)));\n}","export default function rectToClientRect(rect) {\n  return Object.assign({}, rect, {\n    left: rect.x,\n    top: rect.y,\n    right: rect.x + rect.width,\n    bottom: rect.y + rect.height\n  });\n}","import { viewport } from \"../enums.js\";\nimport getViewportRect from \"./getViewportRect.js\";\nimport getDocumentRect from \"./getDocumentRect.js\";\nimport listScrollParents from \"./listScrollParents.js\";\nimport getOffsetParent from \"./getOffsetParent.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport contains from \"./contains.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport rectToClientRect from \"../utils/rectToClientRect.js\";\nimport { max, min } from \"../utils/math.js\";\n\nfunction getInnerBoundingClientRect(element, strategy) {\n  var rect = getBoundingClientRect(element, false, strategy === 'fixed');\n  rect.top = rect.top + element.clientTop;\n  rect.left = rect.left + element.clientLeft;\n  rect.bottom = rect.top + element.clientHeight;\n  rect.right = rect.left + element.clientWidth;\n  rect.width = element.clientWidth;\n  rect.height = element.clientHeight;\n  rect.x = rect.left;\n  rect.y = rect.top;\n  return rect;\n}\n\nfunction getClientRectFromMixedType(element, clippingParent, strategy) {\n  return clippingParent === viewport ? rectToClientRect(getViewportRect(element, strategy)) : isElement(clippingParent) ? getInnerBoundingClientRect(clippingParent, strategy) : rectToClientRect(getDocumentRect(getDocumentElement(element)));\n} // A \"clipping parent\" is an overflowable container with the characteristic of\n// clipping (or hiding) overflowing elements with a position different from\n// `initial`\n\n\nfunction getClippingParents(element) {\n  var clippingParents = listScrollParents(getParentNode(element));\n  var canEscapeClipping = ['absolute', 'fixed'].indexOf(getComputedStyle(element).position) >= 0;\n  var clipperElement = canEscapeClipping && isHTMLElement(element) ? getOffsetParent(element) : element;\n\n  if (!isElement(clipperElement)) {\n    return [];\n  } // $FlowFixMe[incompatible-return]: https://github.com/facebook/flow/issues/1414\n\n\n  return clippingParents.filter(function (clippingParent) {\n    return isElement(clippingParent) && contains(clippingParent, clipperElement) && getNodeName(clippingParent) !== 'body';\n  });\n} // Gets the maximum area that the element is visible in due to any number of\n// clipping parents\n\n\nexport default function getClippingRect(element, boundary, rootBoundary, strategy) {\n  var mainClippingParents = boundary === 'clippingParents' ? getClippingParents(element) : [].concat(boundary);\n  var clippingParents = [].concat(mainClippingParents, [rootBoundary]);\n  var firstClippingParent = clippingParents[0];\n  var clippingRect = clippingParents.reduce(function (accRect, clippingParent) {\n    var rect = getClientRectFromMixedType(element, clippingParent, strategy);\n    accRect.top = max(rect.top, accRect.top);\n    accRect.right = min(rect.right, accRect.right);\n    accRect.bottom = min(rect.bottom, accRect.bottom);\n    accRect.left = max(rect.left, accRect.left);\n    return accRect;\n  }, getClientRectFromMixedType(element, firstClippingParent, strategy));\n  clippingRect.width = clippingRect.right - clippingRect.left;\n  clippingRect.height = clippingRect.bottom - clippingRect.top;\n  clippingRect.x = clippingRect.left;\n  clippingRect.y = clippingRect.top;\n  return clippingRect;\n}","import getWindow from \"./getWindow.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getViewportRect(element, strategy) {\n  var win = getWindow(element);\n  var html = getDocumentElement(element);\n  var visualViewport = win.visualViewport;\n  var width = html.clientWidth;\n  var height = html.clientHeight;\n  var x = 0;\n  var y = 0;\n\n  if (visualViewport) {\n    width = visualViewport.width;\n    height = visualViewport.height;\n    var layoutViewport = isLayoutViewport();\n\n    if (layoutViewport || !layoutViewport && strategy === 'fixed') {\n      x = visualViewport.offsetLeft;\n      y = visualViewport.offsetTop;\n    }\n  }\n\n  return {\n    width: width,\n    height: height,\n    x: x + getWindowScrollBarX(element),\n    y: y\n  };\n}","import getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nimport { max } from \"../utils/math.js\"; // Gets the entire size of the scrollable document area, even extending outside\n// of the `<html>` and `<body>` rect bounds if horizontally scrollable\n\nexport default function getDocumentRect(element) {\n  var _element$ownerDocumen;\n\n  var html = getDocumentElement(element);\n  var winScroll = getWindowScroll(element);\n  var body = (_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body;\n  var width = max(html.scrollWidth, html.clientWidth, body ? body.scrollWidth : 0, body ? body.clientWidth : 0);\n  var height = max(html.scrollHeight, html.clientHeight, body ? body.scrollHeight : 0, body ? body.clientHeight : 0);\n  var x = -winScroll.scrollLeft + getWindowScrollBarX(element);\n  var y = -winScroll.scrollTop;\n\n  if (getComputedStyle(body || html).direction === 'rtl') {\n    x += max(html.clientWidth, body ? body.clientWidth : 0) - width;\n  }\n\n  return {\n    width: width,\n    height: height,\n    x: x,\n    y: y\n  };\n}","import getBasePlacement from \"./getBasePlacement.js\";\nimport getVariation from \"./getVariation.js\";\nimport getMainAxisFromPlacement from \"./getMainAxisFromPlacement.js\";\nimport { top, right, bottom, left, start, end } from \"../enums.js\";\nexport default function computeOffsets(_ref) {\n  var reference = _ref.reference,\n      element = _ref.element,\n      placement = _ref.placement;\n  var basePlacement = placement ? getBasePlacement(placement) : null;\n  var variation = placement ? getVariation(placement) : null;\n  var commonX = reference.x + reference.width / 2 - element.width / 2;\n  var commonY = reference.y + reference.height / 2 - element.height / 2;\n  var offsets;\n\n  switch (basePlacement) {\n    case top:\n      offsets = {\n        x: commonX,\n        y: reference.y - element.height\n      };\n      break;\n\n    case bottom:\n      offsets = {\n        x: commonX,\n        y: reference.y + reference.height\n      };\n      break;\n\n    case right:\n      offsets = {\n        x: reference.x + reference.width,\n        y: commonY\n      };\n      break;\n\n    case left:\n      offsets = {\n        x: reference.x - element.width,\n        y: commonY\n      };\n      break;\n\n    default:\n      offsets = {\n        x: reference.x,\n        y: reference.y\n      };\n  }\n\n  var mainAxis = basePlacement ? getMainAxisFromPlacement(basePlacement) : null;\n\n  if (mainAxis != null) {\n    var len = mainAxis === 'y' ? 'height' : 'width';\n\n    switch (variation) {\n      case start:\n        offsets[mainAxis] = offsets[mainAxis] - (reference[len] / 2 - element[len] / 2);\n        break;\n\n      case end:\n        offsets[mainAxis] = offsets[mainAxis] + (reference[len] / 2 - element[len] / 2);\n        break;\n\n      default:\n    }\n  }\n\n  return offsets;\n}","import getClippingRect from \"../dom-utils/getClippingRect.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getBoundingClientRect from \"../dom-utils/getBoundingClientRect.js\";\nimport computeOffsets from \"./computeOffsets.js\";\nimport rectToClientRect from \"./rectToClientRect.js\";\nimport { clippingParents, reference, popper, bottom, top, right, basePlacements, viewport } from \"../enums.js\";\nimport { isElement } from \"../dom-utils/instanceOf.js\";\nimport mergePaddingObject from \"./mergePaddingObject.js\";\nimport expandToHashMap from \"./expandToHashMap.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport default function detectOverflow(state, options) {\n  if (options === void 0) {\n    options = {};\n  }\n\n  var _options = options,\n      _options$placement = _options.placement,\n      placement = _options$placement === void 0 ? state.placement : _options$placement,\n      _options$strategy = _options.strategy,\n      strategy = _options$strategy === void 0 ? state.strategy : _options$strategy,\n      _options$boundary = _options.boundary,\n      boundary = _options$boundary === void 0 ? clippingParents : _options$boundary,\n      _options$rootBoundary = _options.rootBoundary,\n      rootBoundary = _options$rootBoundary === void 0 ? viewport : _options$rootBoundary,\n      _options$elementConte = _options.elementContext,\n      elementContext = _options$elementConte === void 0 ? popper : _options$elementConte,\n      _options$altBoundary = _options.altBoundary,\n      altBoundary = _options$altBoundary === void 0 ? false : _options$altBoundary,\n      _options$padding = _options.padding,\n      padding = _options$padding === void 0 ? 0 : _options$padding;\n  var paddingObject = mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n  var altContext = elementContext === popper ? reference : popper;\n  var popperRect = state.rects.popper;\n  var element = state.elements[altBoundary ? altContext : elementContext];\n  var clippingClientRect = getClippingRect(isElement(element) ? element : element.contextElement || getDocumentElement(state.elements.popper), boundary, rootBoundary, strategy);\n  var referenceClientRect = getBoundingClientRect(state.elements.reference);\n  var popperOffsets = computeOffsets({\n    reference: referenceClientRect,\n    element: popperRect,\n    strategy: 'absolute',\n    placement: placement\n  });\n  var popperClientRect = rectToClientRect(Object.assign({}, popperRect, popperOffsets));\n  var elementClientRect = elementContext === popper ? popperClientRect : referenceClientRect; // positive = overflowing the clipping rect\n  // 0 or negative = within the clipping rect\n\n  var overflowOffsets = {\n    top: clippingClientRect.top - elementClientRect.top + paddingObject.top,\n    bottom: elementClientRect.bottom - clippingClientRect.bottom + paddingObject.bottom,\n    left: clippingClientRect.left - elementClientRect.left + paddingObject.left,\n    right: elementClientRect.right - clippingClientRect.right + paddingObject.right\n  };\n  var offsetData = state.modifiersData.offset; // Offsets can be applied only to the popper element\n\n  if (elementContext === popper && offsetData) {\n    var offset = offsetData[placement];\n    Object.keys(overflowOffsets).forEach(function (key) {\n      var multiply = [right, bottom].indexOf(key) >= 0 ? 1 : -1;\n      var axis = [top, bottom].indexOf(key) >= 0 ? 'y' : 'x';\n      overflowOffsets[key] += offset[axis] * multiply;\n    });\n  }\n\n  return overflowOffsets;\n}","import getOppositePlacement from \"../utils/getOppositePlacement.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getOppositeVariationPlacement from \"../utils/getOppositeVariationPlacement.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport computeAutoPlacement from \"../utils/computeAutoPlacement.js\";\nimport { bottom, top, start, right, left, auto } from \"../enums.js\";\nimport getVariation from \"../utils/getVariation.js\"; // eslint-disable-next-line import/no-unused-modules\n\nfunction getExpandedFallbackPlacements(placement) {\n  if (getBasePlacement(placement) === auto) {\n    return [];\n  }\n\n  var oppositePlacement = getOppositePlacement(placement);\n  return [getOppositeVariationPlacement(placement), oppositePlacement, getOppositeVariationPlacement(oppositePlacement)];\n}\n\nfunction flip(_ref) {\n  var state = _ref.state,\n      options = _ref.options,\n      name = _ref.name;\n\n  if (state.modifiersData[name]._skip) {\n    return;\n  }\n\n  var _options$mainAxis = options.mainAxis,\n      checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n      _options$altAxis = options.altAxis,\n      checkAltAxis = _options$altAxis === void 0 ? true : _options$altAxis,\n      specifiedFallbackPlacements = options.fallbackPlacements,\n      padding = options.padding,\n      boundary = options.boundary,\n      rootBoundary = options.rootBoundary,\n      altBoundary = options.altBoundary,\n      _options$flipVariatio = options.flipVariations,\n      flipVariations = _options$flipVariatio === void 0 ? true : _options$flipVariatio,\n      allowedAutoPlacements = options.allowedAutoPlacements;\n  var preferredPlacement = state.options.placement;\n  var basePlacement = getBasePlacement(preferredPlacement);\n  var isBasePlacement = basePlacement === preferredPlacement;\n  var fallbackPlacements = specifiedFallbackPlacements || (isBasePlacement || !flipVariations ? [getOppositePlacement(preferredPlacement)] : getExpandedFallbackPlacements(preferredPlacement));\n  var placements = [preferredPlacement].concat(fallbackPlacements).reduce(function (acc, placement) {\n    return acc.concat(getBasePlacement(placement) === auto ? computeAutoPlacement(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      padding: padding,\n      flipVariations: flipVariations,\n      allowedAutoPlacements: allowedAutoPlacements\n    }) : placement);\n  }, []);\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var checksMap = new Map();\n  var makeFallbackChecks = true;\n  var firstFittingPlacement = placements[0];\n\n  for (var i = 0; i < placements.length; i++) {\n    var placement = placements[i];\n\n    var _basePlacement = getBasePlacement(placement);\n\n    var isStartVariation = getVariation(placement) === start;\n    var isVertical = [top, bottom].indexOf(_basePlacement) >= 0;\n    var len = isVertical ? 'width' : 'height';\n    var overflow = detectOverflow(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      altBoundary: altBoundary,\n      padding: padding\n    });\n    var mainVariationSide = isVertical ? isStartVariation ? right : left : isStartVariation ? bottom : top;\n\n    if (referenceRect[len] > popperRect[len]) {\n      mainVariationSide = getOppositePlacement(mainVariationSide);\n    }\n\n    var altVariationSide = getOppositePlacement(mainVariationSide);\n    var checks = [];\n\n    if (checkMainAxis) {\n      checks.push(overflow[_basePlacement] <= 0);\n    }\n\n    if (checkAltAxis) {\n      checks.push(overflow[mainVariationSide] <= 0, overflow[altVariationSide] <= 0);\n    }\n\n    if (checks.every(function (check) {\n      return check;\n    })) {\n      firstFittingPlacement = placement;\n      makeFallbackChecks = false;\n      break;\n    }\n\n    checksMap.set(placement, checks);\n  }\n\n  if (makeFallbackChecks) {\n    // `2` may be desired in some cases – research later\n    var numberOfChecks = flipVariations ? 3 : 1;\n\n    var _loop = function _loop(_i) {\n      var fittingPlacement = placements.find(function (placement) {\n        var checks = checksMap.get(placement);\n\n        if (checks) {\n          return checks.slice(0, _i).every(function (check) {\n            return check;\n          });\n        }\n      });\n\n      if (fittingPlacement) {\n        firstFittingPlacement = fittingPlacement;\n        return \"break\";\n      }\n    };\n\n    for (var _i = numberOfChecks; _i > 0; _i--) {\n      var _ret = _loop(_i);\n\n      if (_ret === \"break\") break;\n    }\n  }\n\n  if (state.placement !== firstFittingPlacement) {\n    state.modifiersData[name]._skip = true;\n    state.placement = firstFittingPlacement;\n    state.reset = true;\n  }\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'flip',\n  enabled: true,\n  phase: 'main',\n  fn: flip,\n  requiresIfExists: ['offset'],\n  data: {\n    _skip: false\n  }\n};","import getVariation from \"./getVariation.js\";\nimport { variationPlacements, basePlacements, placements as allPlacements } from \"../enums.js\";\nimport detectOverflow from \"./detectOverflow.js\";\nimport getBasePlacement from \"./getBasePlacement.js\";\nexport default function computeAutoPlacement(state, options) {\n  if (options === void 0) {\n    options = {};\n  }\n\n  var _options = options,\n      placement = _options.placement,\n      boundary = _options.boundary,\n      rootBoundary = _options.rootBoundary,\n      padding = _options.padding,\n      flipVariations = _options.flipVariations,\n      _options$allowedAutoP = _options.allowedAutoPlacements,\n      allowedAutoPlacements = _options$allowedAutoP === void 0 ? allPlacements : _options$allowedAutoP;\n  var variation = getVariation(placement);\n  var placements = variation ? flipVariations ? variationPlacements : variationPlacements.filter(function (placement) {\n    return getVariation(placement) === variation;\n  }) : basePlacements;\n  var allowedPlacements = placements.filter(function (placement) {\n    return allowedAutoPlacements.indexOf(placement) >= 0;\n  });\n\n  if (allowedPlacements.length === 0) {\n    allowedPlacements = placements;\n  } // $FlowFixMe[incompatible-type]: Flow seems to have problems with two array unions...\n\n\n  var overflows = allowedPlacements.reduce(function (acc, placement) {\n    acc[placement] = detectOverflow(state, {\n      placement: placement,\n      boundary: boundary,\n      rootBoundary: rootBoundary,\n      padding: padding\n    })[getBasePlacement(placement)];\n    return acc;\n  }, {});\n  return Object.keys(overflows).sort(function (a, b) {\n    return overflows[a] - overflows[b];\n  });\n}","import { top, bottom, left, right } from \"../enums.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\n\nfunction getSideOffsets(overflow, rect, preventedOffsets) {\n  if (preventedOffsets === void 0) {\n    preventedOffsets = {\n      x: 0,\n      y: 0\n    };\n  }\n\n  return {\n    top: overflow.top - rect.height - preventedOffsets.y,\n    right: overflow.right - rect.width + preventedOffsets.x,\n    bottom: overflow.bottom - rect.height + preventedOffsets.y,\n    left: overflow.left - rect.width - preventedOffsets.x\n  };\n}\n\nfunction isAnySideFullyClipped(overflow) {\n  return [top, right, bottom, left].some(function (side) {\n    return overflow[side] >= 0;\n  });\n}\n\nfunction hide(_ref) {\n  var state = _ref.state,\n      name = _ref.name;\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var preventedOffsets = state.modifiersData.preventOverflow;\n  var referenceOverflow = detectOverflow(state, {\n    elementContext: 'reference'\n  });\n  var popperAltOverflow = detectOverflow(state, {\n    altBoundary: true\n  });\n  var referenceClippingOffsets = getSideOffsets(referenceOverflow, referenceRect);\n  var popperEscapeOffsets = getSideOffsets(popperAltOverflow, popperRect, preventedOffsets);\n  var isReferenceHidden = isAnySideFullyClipped(referenceClippingOffsets);\n  var hasPopperEscaped = isAnySideFullyClipped(popperEscapeOffsets);\n  state.modifiersData[name] = {\n    referenceClippingOffsets: referenceClippingOffsets,\n    popperEscapeOffsets: popperEscapeOffsets,\n    isReferenceHidden: isReferenceHidden,\n    hasPopperEscaped: hasPopperEscaped\n  };\n  state.attributes.popper = Object.assign({}, state.attributes.popper, {\n    'data-popper-reference-hidden': isReferenceHidden,\n    'data-popper-escaped': hasPopperEscaped\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'hide',\n  enabled: true,\n  phase: 'main',\n  requiresIfExists: ['preventOverflow'],\n  fn: hide\n};","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport { top, left, right, placements } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport function distanceAndSkiddingToXY(placement, rects, offset) {\n  var basePlacement = getBasePlacement(placement);\n  var invertDistance = [left, top].indexOf(basePlacement) >= 0 ? -1 : 1;\n\n  var _ref = typeof offset === 'function' ? offset(Object.assign({}, rects, {\n    placement: placement\n  })) : offset,\n      skidding = _ref[0],\n      distance = _ref[1];\n\n  skidding = skidding || 0;\n  distance = (distance || 0) * invertDistance;\n  return [left, right].indexOf(basePlacement) >= 0 ? {\n    x: distance,\n    y: skidding\n  } : {\n    x: skidding,\n    y: distance\n  };\n}\n\nfunction offset(_ref2) {\n  var state = _ref2.state,\n      options = _ref2.options,\n      name = _ref2.name;\n  var _options$offset = options.offset,\n      offset = _options$offset === void 0 ? [0, 0] : _options$offset;\n  var data = placements.reduce(function (acc, placement) {\n    acc[placement] = distanceAndSkiddingToXY(placement, state.rects, offset);\n    return acc;\n  }, {});\n  var _data$state$placement = data[state.placement],\n      x = _data$state$placement.x,\n      y = _data$state$placement.y;\n\n  if (state.modifiersData.popperOffsets != null) {\n    state.modifiersData.popperOffsets.x += x;\n    state.modifiersData.popperOffsets.y += y;\n  }\n\n  state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'offset',\n  enabled: true,\n  phase: 'main',\n  requires: ['popperOffsets'],\n  fn: offset\n};","import computeOffsets from \"../utils/computeOffsets.js\";\n\nfunction popperOffsets(_ref) {\n  var state = _ref.state,\n      name = _ref.name;\n  // Offsets are the actual position the popper needs to have to be\n  // properly positioned near its reference element\n  // This is the most basic placement, and will be adjusted by\n  // the modifiers in the next step\n  state.modifiersData[name] = computeOffsets({\n    reference: state.rects.reference,\n    element: state.rects.popper,\n    strategy: 'absolute',\n    placement: state.placement\n  });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'popperOffsets',\n  enabled: true,\n  phase: 'read',\n  fn: popperOffsets,\n  data: {}\n};","import { top, left, right, bottom, start } from \"../enums.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport getAltAxis from \"../utils/getAltAxis.js\";\nimport { within, withinMaxClamp } from \"../utils/within.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport getFreshSideObject from \"../utils/getFreshSideObject.js\";\nimport { min as mathMin, max as mathMax } from \"../utils/math.js\";\n\nfunction preventOverflow(_ref) {\n  var state = _ref.state,\n      options = _ref.options,\n      name = _ref.name;\n  var _options$mainAxis = options.mainAxis,\n      checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n      _options$altAxis = options.altAxis,\n      checkAltAxis = _options$altAxis === void 0 ? false : _options$altAxis,\n      boundary = options.boundary,\n      rootBoundary = options.rootBoundary,\n      altBoundary = options.altBoundary,\n      padding = options.padding,\n      _options$tether = options.tether,\n      tether = _options$tether === void 0 ? true : _options$tether,\n      _options$tetherOffset = options.tetherOffset,\n      tetherOffset = _options$tetherOffset === void 0 ? 0 : _options$tetherOffset;\n  var overflow = detectOverflow(state, {\n    boundary: boundary,\n    rootBoundary: rootBoundary,\n    padding: padding,\n    altBoundary: altBoundary\n  });\n  var basePlacement = getBasePlacement(state.placement);\n  var variation = getVariation(state.placement);\n  var isBasePlacement = !variation;\n  var mainAxis = getMainAxisFromPlacement(basePlacement);\n  var altAxis = getAltAxis(mainAxis);\n  var popperOffsets = state.modifiersData.popperOffsets;\n  var referenceRect = state.rects.reference;\n  var popperRect = state.rects.popper;\n  var tetherOffsetValue = typeof tetherOffset === 'function' ? tetherOffset(Object.assign({}, state.rects, {\n    placement: state.placement\n  })) : tetherOffset;\n  var normalizedTetherOffsetValue = typeof tetherOffsetValue === 'number' ? {\n    mainAxis: tetherOffsetValue,\n    altAxis: tetherOffsetValue\n  } : Object.assign({\n    mainAxis: 0,\n    altAxis: 0\n  }, tetherOffsetValue);\n  var offsetModifierState = state.modifiersData.offset ? state.modifiersData.offset[state.placement] : null;\n  var data = {\n    x: 0,\n    y: 0\n  };\n\n  if (!popperOffsets) {\n    return;\n  }\n\n  if (checkMainAxis) {\n    var _offsetModifierState$;\n\n    var mainSide = mainAxis === 'y' ? top : left;\n    var altSide = mainAxis === 'y' ? bottom : right;\n    var len = mainAxis === 'y' ? 'height' : 'width';\n    var offset = popperOffsets[mainAxis];\n    var min = offset + overflow[mainSide];\n    var max = offset - overflow[altSide];\n    var additive = tether ? -popperRect[len] / 2 : 0;\n    var minLen = variation === start ? referenceRect[len] : popperRect[len];\n    var maxLen = variation === start ? -popperRect[len] : -referenceRect[len]; // We need to include the arrow in the calculation so the arrow doesn't go\n    // outside the reference bounds\n\n    var arrowElement = state.elements.arrow;\n    var arrowRect = tether && arrowElement ? getLayoutRect(arrowElement) : {\n      width: 0,\n      height: 0\n    };\n    var arrowPaddingObject = state.modifiersData['arrow#persistent'] ? state.modifiersData['arrow#persistent'].padding : getFreshSideObject();\n    var arrowPaddingMin = arrowPaddingObject[mainSide];\n    var arrowPaddingMax = arrowPaddingObject[altSide]; // If the reference length is smaller than the arrow length, we don't want\n    // to include its full size in the calculation. If the reference is small\n    // and near the edge of a boundary, the popper can overflow even if the\n    // reference is not overflowing as well (e.g. virtual elements with no\n    // width or height)\n\n    var arrowLen = within(0, referenceRect[len], arrowRect[len]);\n    var minOffset = isBasePlacement ? referenceRect[len] / 2 - additive - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis : minLen - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis;\n    var maxOffset = isBasePlacement ? -referenceRect[len] / 2 + additive + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis : maxLen + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis;\n    var arrowOffsetParent = state.elements.arrow && getOffsetParent(state.elements.arrow);\n    var clientOffset = arrowOffsetParent ? mainAxis === 'y' ? arrowOffsetParent.clientTop || 0 : arrowOffsetParent.clientLeft || 0 : 0;\n    var offsetModifierValue = (_offsetModifierState$ = offsetModifierState == null ? void 0 : offsetModifierState[mainAxis]) != null ? _offsetModifierState$ : 0;\n    var tetherMin = offset + minOffset - offsetModifierValue - clientOffset;\n    var tetherMax = offset + maxOffset - offsetModifierValue;\n    var preventedOffset = within(tether ? mathMin(min, tetherMin) : min, offset, tether ? mathMax(max, tetherMax) : max);\n    popperOffsets[mainAxis] = preventedOffset;\n    data[mainAxis] = preventedOffset - offset;\n  }\n\n  if (checkAltAxis) {\n    var _offsetModifierState$2;\n\n    var _mainSide = mainAxis === 'x' ? top : left;\n\n    var _altSide = mainAxis === 'x' ? bottom : right;\n\n    var _offset = popperOffsets[altAxis];\n\n    var _len = altAxis === 'y' ? 'height' : 'width';\n\n    var _min = _offset + overflow[_mainSide];\n\n    var _max = _offset - overflow[_altSide];\n\n    var isOriginSide = [top, left].indexOf(basePlacement) !== -1;\n\n    var _offsetModifierValue = (_offsetModifierState$2 = offsetModifierState == null ? void 0 : offsetModifierState[altAxis]) != null ? _offsetModifierState$2 : 0;\n\n    var _tetherMin = isOriginSide ? _min : _offset - referenceRect[_len] - popperRect[_len] - _offsetModifierValue + normalizedTetherOffsetValue.altAxis;\n\n    var _tetherMax = isOriginSide ? _offset + referenceRect[_len] + popperRect[_len] - _offsetModifierValue - normalizedTetherOffsetValue.altAxis : _max;\n\n    var _preventedOffset = tether && isOriginSide ? withinMaxClamp(_tetherMin, _offset, _tetherMax) : within(tether ? _tetherMin : _min, _offset, tether ? _tetherMax : _max);\n\n    popperOffsets[altAxis] = _preventedOffset;\n    data[altAxis] = _preventedOffset - _offset;\n  }\n\n  state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n  name: 'preventOverflow',\n  enabled: true,\n  phase: 'main',\n  fn: preventOverflow,\n  requiresIfExists: ['offset']\n};","export default function getAltAxis(axis) {\n  return axis === 'x' ? 'y' : 'x';\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getNodeScroll from \"./getNodeScroll.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport { round } from \"../utils/math.js\";\n\nfunction isElementScaled(element) {\n  var rect = element.getBoundingClientRect();\n  var scaleX = round(rect.width) / element.offsetWidth || 1;\n  var scaleY = round(rect.height) / element.offsetHeight || 1;\n  return scaleX !== 1 || scaleY !== 1;\n} // Returns the composite rect of an element relative to its offsetParent.\n// Composite means it takes into account transforms as well as layout.\n\n\nexport default function getCompositeRect(elementOrVirtualElement, offsetParent, isFixed) {\n  if (isFixed === void 0) {\n    isFixed = false;\n  }\n\n  var isOffsetParentAnElement = isHTMLElement(offsetParent);\n  var offsetParentIsScaled = isHTMLElement(offsetParent) && isElementScaled(offsetParent);\n  var documentElement = getDocumentElement(offsetParent);\n  var rect = getBoundingClientRect(elementOrVirtualElement, offsetParentIsScaled, isFixed);\n  var scroll = {\n    scrollLeft: 0,\n    scrollTop: 0\n  };\n  var offsets = {\n    x: 0,\n    y: 0\n  };\n\n  if (isOffsetParentAnElement || !isOffsetParentAnElement && !isFixed) {\n    if (getNodeName(offsetParent) !== 'body' || // https://github.com/popperjs/popper-core/issues/1078\n    isScrollParent(documentElement)) {\n      scroll = getNodeScroll(offsetParent);\n    }\n\n    if (isHTMLElement(offsetParent)) {\n      offsets = getBoundingClientRect(offsetParent, true);\n      offsets.x += offsetParent.clientLeft;\n      offsets.y += offsetParent.clientTop;\n    } else if (documentElement) {\n      offsets.x = getWindowScrollBarX(documentElement);\n    }\n  }\n\n  return {\n    x: rect.left + scroll.scrollLeft - offsets.x,\n    y: rect.top + scroll.scrollTop - offsets.y,\n    width: rect.width,\n    height: rect.height\n  };\n}","import getWindowScroll from \"./getWindowScroll.js\";\nimport getWindow from \"./getWindow.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getHTMLElementScroll from \"./getHTMLElementScroll.js\";\nexport default function getNodeScroll(node) {\n  if (node === getWindow(node) || !isHTMLElement(node)) {\n    return getWindowScroll(node);\n  } else {\n    return getHTMLElementScroll(node);\n  }\n}","export default function getHTMLElementScroll(element) {\n  return {\n    scrollLeft: element.scrollLeft,\n    scrollTop: element.scrollTop\n  };\n}","import { modifierPhases } from \"../enums.js\"; // source: https://stackoverflow.com/questions/49875255\n\nfunction order(modifiers) {\n  var map = new Map();\n  var visited = new Set();\n  var result = [];\n  modifiers.forEach(function (modifier) {\n    map.set(modifier.name, modifier);\n  }); // On visiting object, check for its dependencies and visit them recursively\n\n  function sort(modifier) {\n    visited.add(modifier.name);\n    var requires = [].concat(modifier.requires || [], modifier.requiresIfExists || []);\n    requires.forEach(function (dep) {\n      if (!visited.has(dep)) {\n        var depModifier = map.get(dep);\n\n        if (depModifier) {\n          sort(depModifier);\n        }\n      }\n    });\n    result.push(modifier);\n  }\n\n  modifiers.forEach(function (modifier) {\n    if (!visited.has(modifier.name)) {\n      // check for visited object\n      sort(modifier);\n    }\n  });\n  return result;\n}\n\nexport default function orderModifiers(modifiers) {\n  // order based on dependencies\n  var orderedModifiers = order(modifiers); // order based on phase\n\n  return modifierPhases.reduce(function (acc, phase) {\n    return acc.concat(orderedModifiers.filter(function (modifier) {\n      return modifier.phase === phase;\n    }));\n  }, []);\n}","import getCompositeRect from \"./dom-utils/getCompositeRect.js\";\nimport getLayoutRect from \"./dom-utils/getLayoutRect.js\";\nimport listScrollParents from \"./dom-utils/listScrollParents.js\";\nimport getOffsetParent from \"./dom-utils/getOffsetParent.js\";\nimport orderModifiers from \"./utils/orderModifiers.js\";\nimport debounce from \"./utils/debounce.js\";\nimport mergeByName from \"./utils/mergeByName.js\";\nimport detectOverflow from \"./utils/detectOverflow.js\";\nimport { isElement } from \"./dom-utils/instanceOf.js\";\nvar DEFAULT_OPTIONS = {\n  placement: 'bottom',\n  modifiers: [],\n  strategy: 'absolute'\n};\n\nfunction areValidElements() {\n  for (var _len = arguments.length, args = new Array(_len), _key = 0; _key < _len; _key++) {\n    args[_key] = arguments[_key];\n  }\n\n  return !args.some(function (element) {\n    return !(element && typeof element.getBoundingClientRect === 'function');\n  });\n}\n\nexport function popperGenerator(generatorOptions) {\n  if (generatorOptions === void 0) {\n    generatorOptions = {};\n  }\n\n  var _generatorOptions = generatorOptions,\n      _generatorOptions$def = _generatorOptions.defaultModifiers,\n      defaultModifiers = _generatorOptions$def === void 0 ? [] : _generatorOptions$def,\n      _generatorOptions$def2 = _generatorOptions.defaultOptions,\n      defaultOptions = _generatorOptions$def2 === void 0 ? DEFAULT_OPTIONS : _generatorOptions$def2;\n  return function createPopper(reference, popper, options) {\n    if (options === void 0) {\n      options = defaultOptions;\n    }\n\n    var state = {\n      placement: 'bottom',\n      orderedModifiers: [],\n      options: Object.assign({}, DEFAULT_OPTIONS, defaultOptions),\n      modifiersData: {},\n      elements: {\n        reference: reference,\n        popper: popper\n      },\n      attributes: {},\n      styles: {}\n    };\n    var effectCleanupFns = [];\n    var isDestroyed = false;\n    var instance = {\n      state: state,\n      setOptions: function setOptions(setOptionsAction) {\n        var options = typeof setOptionsAction === 'function' ? setOptionsAction(state.options) : setOptionsAction;\n        cleanupModifierEffects();\n        state.options = Object.assign({}, defaultOptions, state.options, options);\n        state.scrollParents = {\n          reference: isElement(reference) ? listScrollParents(reference) : reference.contextElement ? listScrollParents(reference.contextElement) : [],\n          popper: listScrollParents(popper)\n        }; // Orders the modifiers based on their dependencies and `phase`\n        // properties\n\n        var orderedModifiers = orderModifiers(mergeByName([].concat(defaultModifiers, state.options.modifiers))); // Strip out disabled modifiers\n\n        state.orderedModifiers = orderedModifiers.filter(function (m) {\n          return m.enabled;\n        });\n        runModifierEffects();\n        return instance.update();\n      },\n      // Sync update – it will always be executed, even if not necessary. This\n      // is useful for low frequency updates where sync behavior simplifies the\n      // logic.\n      // For high frequency updates (e.g. `resize` and `scroll` events), always\n      // prefer the async Popper#update method\n      forceUpdate: function forceUpdate() {\n        if (isDestroyed) {\n          return;\n        }\n\n        var _state$elements = state.elements,\n            reference = _state$elements.reference,\n            popper = _state$elements.popper; // Don't proceed if `reference` or `popper` are not valid elements\n        // anymore\n\n        if (!areValidElements(reference, popper)) {\n          return;\n        } // Store the reference and popper rects to be read by modifiers\n\n\n        state.rects = {\n          reference: getCompositeRect(reference, getOffsetParent(popper), state.options.strategy === 'fixed'),\n          popper: getLayoutRect(popper)\n        }; // Modifiers have the ability to reset the current update cycle. The\n        // most common use case for this is the `flip` modifier changing the\n        // placement, which then needs to re-run all the modifiers, because the\n        // logic was previously ran for the previous placement and is therefore\n        // stale/incorrect\n\n        state.reset = false;\n        state.placement = state.options.placement; // On each update cycle, the `modifiersData` property for each modifier\n        // is filled with the initial data specified by the modifier. This means\n        // it doesn't persist and is fresh on each update.\n        // To ensure persistent data, use `${name}#persistent`\n\n        state.orderedModifiers.forEach(function (modifier) {\n          return state.modifiersData[modifier.name] = Object.assign({}, modifier.data);\n        });\n\n        for (var index = 0; index < state.orderedModifiers.length; index++) {\n          if (state.reset === true) {\n            state.reset = false;\n            index = -1;\n            continue;\n          }\n\n          var _state$orderedModifie = state.orderedModifiers[index],\n              fn = _state$orderedModifie.fn,\n              _state$orderedModifie2 = _state$orderedModifie.options,\n              _options = _state$orderedModifie2 === void 0 ? {} : _state$orderedModifie2,\n              name = _state$orderedModifie.name;\n\n          if (typeof fn === 'function') {\n            state = fn({\n              state: state,\n              options: _options,\n              name: name,\n              instance: instance\n            }) || state;\n          }\n        }\n      },\n      // Async and optimistically optimized update – it will not be executed if\n      // not necessary (debounced to run at most once-per-tick)\n      update: debounce(function () {\n        return new Promise(function (resolve) {\n          instance.forceUpdate();\n          resolve(state);\n        });\n      }),\n      destroy: function destroy() {\n        cleanupModifierEffects();\n        isDestroyed = true;\n      }\n    };\n\n    if (!areValidElements(reference, popper)) {\n      return instance;\n    }\n\n    instance.setOptions(options).then(function (state) {\n      if (!isDestroyed && options.onFirstUpdate) {\n        options.onFirstUpdate(state);\n      }\n    }); // Modifiers have the ability to execute arbitrary code before the first\n    // update cycle runs. They will be executed in the same order as the update\n    // cycle. This is useful when a modifier adds some persistent data that\n    // other modifiers need to use, but the modifier is run after the dependent\n    // one.\n\n    function runModifierEffects() {\n      state.orderedModifiers.forEach(function (_ref) {\n        var name = _ref.name,\n            _ref$options = _ref.options,\n            options = _ref$options === void 0 ? {} : _ref$options,\n            effect = _ref.effect;\n\n        if (typeof effect === 'function') {\n          var cleanupFn = effect({\n            state: state,\n            name: name,\n            instance: instance,\n            options: options\n          });\n\n          var noopFn = function noopFn() {};\n\n          effectCleanupFns.push(cleanupFn || noopFn);\n        }\n      });\n    }\n\n    function cleanupModifierEffects() {\n      effectCleanupFns.forEach(function (fn) {\n        return fn();\n      });\n      effectCleanupFns = [];\n    }\n\n    return instance;\n  };\n}\nexport var createPopper = /*#__PURE__*/popperGenerator(); // eslint-disable-next-line import/no-unused-modules\n\nexport { detectOverflow };","export default function debounce(fn) {\n  var pending;\n  return function () {\n    if (!pending) {\n      pending = new Promise(function (resolve) {\n        Promise.resolve().then(function () {\n          pending = undefined;\n          resolve(fn());\n        });\n      });\n    }\n\n    return pending;\n  };\n}","export default function mergeByName(modifiers) {\n  var merged = modifiers.reduce(function (merged, current) {\n    var existing = merged[current.name];\n    merged[current.name] = existing ? Object.assign({}, existing, current, {\n      options: Object.assign({}, existing.options, current.options),\n      data: Object.assign({}, existing.data, current.data)\n    }) : current;\n    return merged;\n  }, {}); // IE11 does not support Object.values\n\n  return Object.keys(merged).map(function (key) {\n    return merged[key];\n  });\n}","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nimport offset from \"./modifiers/offset.js\";\nimport flip from \"./modifiers/flip.js\";\nimport preventOverflow from \"./modifiers/preventOverflow.js\";\nimport arrow from \"./modifiers/arrow.js\";\nimport hide from \"./modifiers/hide.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles, offset, flip, preventOverflow, arrow, hide];\nvar createPopper = /*#__PURE__*/popperGenerator({\n  defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow }; // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper as createPopperLite } from \"./popper-lite.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport * from \"./modifiers/index.js\";","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles];\nvar createPopper = /*#__PURE__*/popperGenerator({\n  defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow };","/*!\n  * Bootstrap v5.3.3 (https://getbootstrap.com/)\n  * Copyright 2011-2024 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors)\n  * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n  */\nimport * as Popper from '@popperjs/core';\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/data.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n/**\n * Constants\n */\n\nconst elementMap = new Map();\nconst Data = {\n  set(element, key, instance) {\n    if (!elementMap.has(element)) {\n      elementMap.set(element, new Map());\n    }\n    const instanceMap = elementMap.get(element);\n\n    // make it clear we only want one instance per element\n    // can be removed later when multiple key/instances are fine to be used\n    if (!instanceMap.has(key) && instanceMap.size !== 0) {\n      // eslint-disable-next-line no-console\n      console.error(`Bootstrap doesn't allow more than one instance per element. Bound instance: ${Array.from(instanceMap.keys())[0]}.`);\n      return;\n    }\n    instanceMap.set(key, instance);\n  },\n  get(element, key) {\n    if (elementMap.has(element)) {\n      return elementMap.get(element).get(key) || null;\n    }\n    return null;\n  },\n  remove(element, key) {\n    if (!elementMap.has(element)) {\n      return;\n    }\n    const instanceMap = elementMap.get(element);\n    instanceMap.delete(key);\n\n    // free up element references if there are no instances left for an element\n    if (instanceMap.size === 0) {\n      elementMap.delete(element);\n    }\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/index.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst MAX_UID = 1000000;\nconst MILLISECONDS_MULTIPLIER = 1000;\nconst TRANSITION_END = 'transitionend';\n\n/**\n * Properly escape IDs selectors to handle weird IDs\n * @param {string} selector\n * @returns {string}\n */\nconst parseSelector = selector => {\n  if (selector && window.CSS && window.CSS.escape) {\n    // document.querySelector needs escaping to handle IDs (html5+) containing for instance /\n    selector = selector.replace(/#([^\\s\"#']+)/g, (match, id) => `#${CSS.escape(id)}`);\n  }\n  return selector;\n};\n\n// Shout-out Angus Croll (https://goo.gl/pxwQGp)\nconst toType = object => {\n  if (object === null || object === undefined) {\n    return `${object}`;\n  }\n  return Object.prototype.toString.call(object).match(/\\s([a-z]+)/i)[1].toLowerCase();\n};\n\n/**\n * Public Util API\n */\n\nconst getUID = prefix => {\n  do {\n    prefix += Math.floor(Math.random() * MAX_UID);\n  } while (document.getElementById(prefix));\n  return prefix;\n};\nconst getTransitionDurationFromElement = element => {\n  if (!element) {\n    return 0;\n  }\n\n  // Get transition-duration of the element\n  let {\n    transitionDuration,\n    transitionDelay\n  } = window.getComputedStyle(element);\n  const floatTransitionDuration = Number.parseFloat(transitionDuration);\n  const floatTransitionDelay = Number.parseFloat(transitionDelay);\n\n  // Return 0 if element or transition duration is not found\n  if (!floatTransitionDuration && !floatTransitionDelay) {\n    return 0;\n  }\n\n  // If multiple durations are defined, take the first\n  transitionDuration = transitionDuration.split(',')[0];\n  transitionDelay = transitionDelay.split(',')[0];\n  return (Number.parseFloat(transitionDuration) + Number.parseFloat(transitionDelay)) * MILLISECONDS_MULTIPLIER;\n};\nconst triggerTransitionEnd = element => {\n  element.dispatchEvent(new Event(TRANSITION_END));\n};\nconst isElement = object => {\n  if (!object || typeof object !== 'object') {\n    return false;\n  }\n  if (typeof object.jquery !== 'undefined') {\n    object = object[0];\n  }\n  return typeof object.nodeType !== 'undefined';\n};\nconst getElement = object => {\n  // it's a jQuery object or a node element\n  if (isElement(object)) {\n    return object.jquery ? object[0] : object;\n  }\n  if (typeof object === 'string' && object.length > 0) {\n    return document.querySelector(parseSelector(object));\n  }\n  return null;\n};\nconst isVisible = element => {\n  if (!isElement(element) || element.getClientRects().length === 0) {\n    return false;\n  }\n  const elementIsVisible = getComputedStyle(element).getPropertyValue('visibility') === 'visible';\n  // Handle `details` element as its content may falsie appear visible when it is closed\n  const closedDetails = element.closest('details:not([open])');\n  if (!closedDetails) {\n    return elementIsVisible;\n  }\n  if (closedDetails !== element) {\n    const summary = element.closest('summary');\n    if (summary && summary.parentNode !== closedDetails) {\n      return false;\n    }\n    if (summary === null) {\n      return false;\n    }\n  }\n  return elementIsVisible;\n};\nconst isDisabled = element => {\n  if (!element || element.nodeType !== Node.ELEMENT_NODE) {\n    return true;\n  }\n  if (element.classList.contains('disabled')) {\n    return true;\n  }\n  if (typeof element.disabled !== 'undefined') {\n    return element.disabled;\n  }\n  return element.hasAttribute('disabled') && element.getAttribute('disabled') !== 'false';\n};\nconst findShadowRoot = element => {\n  if (!document.documentElement.attachShadow) {\n    return null;\n  }\n\n  // Can find the shadow root otherwise it'll return the document\n  if (typeof element.getRootNode === 'function') {\n    const root = element.getRootNode();\n    return root instanceof ShadowRoot ? root : null;\n  }\n  if (element instanceof ShadowRoot) {\n    return element;\n  }\n\n  // when we don't find a shadow root\n  if (!element.parentNode) {\n    return null;\n  }\n  return findShadowRoot(element.parentNode);\n};\nconst noop = () => {};\n\n/**\n * Trick to restart an element's animation\n *\n * @param {HTMLElement} element\n * @return void\n *\n * @see https://www.charistheo.io/blog/2021/02/restart-a-css-animation-with-javascript/#restarting-a-css-animation\n */\nconst reflow = element => {\n  element.offsetHeight; // eslint-disable-line no-unused-expressions\n};\nconst getjQuery = () => {\n  if (window.jQuery && !document.body.hasAttribute('data-bs-no-jquery')) {\n    return window.jQuery;\n  }\n  return null;\n};\nconst DOMContentLoadedCallbacks = [];\nconst onDOMContentLoaded = callback => {\n  if (document.readyState === 'loading') {\n    // add listener on the first call when the document is in loading state\n    if (!DOMContentLoadedCallbacks.length) {\n      document.addEventListener('DOMContentLoaded', () => {\n        for (const callback of DOMContentLoadedCallbacks) {\n          callback();\n        }\n      });\n    }\n    DOMContentLoadedCallbacks.push(callback);\n  } else {\n    callback();\n  }\n};\nconst isRTL = () => document.documentElement.dir === 'rtl';\nconst defineJQueryPlugin = plugin => {\n  onDOMContentLoaded(() => {\n    const $ = getjQuery();\n    /* istanbul ignore if */\n    if ($) {\n      const name = plugin.NAME;\n      const JQUERY_NO_CONFLICT = $.fn[name];\n      $.fn[name] = plugin.jQueryInterface;\n      $.fn[name].Constructor = plugin;\n      $.fn[name].noConflict = () => {\n        $.fn[name] = JQUERY_NO_CONFLICT;\n        return plugin.jQueryInterface;\n      };\n    }\n  });\n};\nconst execute = (possibleCallback, args = [], defaultValue = possibleCallback) => {\n  return typeof possibleCallback === 'function' ? possibleCallback(...args) : defaultValue;\n};\nconst executeAfterTransition = (callback, transitionElement, waitForTransition = true) => {\n  if (!waitForTransition) {\n    execute(callback);\n    return;\n  }\n  const durationPadding = 5;\n  const emulatedDuration = getTransitionDurationFromElement(transitionElement) + durationPadding;\n  let called = false;\n  const handler = ({\n    target\n  }) => {\n    if (target !== transitionElement) {\n      return;\n    }\n    called = true;\n    transitionElement.removeEventListener(TRANSITION_END, handler);\n    execute(callback);\n  };\n  transitionElement.addEventListener(TRANSITION_END, handler);\n  setTimeout(() => {\n    if (!called) {\n      triggerTransitionEnd(transitionElement);\n    }\n  }, emulatedDuration);\n};\n\n/**\n * Return the previous/next element of a list.\n *\n * @param {array} list    The list of elements\n * @param activeElement   The active element\n * @param shouldGetNext   Choose to get next or previous element\n * @param isCycleAllowed\n * @return {Element|elem} The proper element\n */\nconst getNextActiveElement = (list, activeElement, shouldGetNext, isCycleAllowed) => {\n  const listLength = list.length;\n  let index = list.indexOf(activeElement);\n\n  // if the element does not exist in the list return an element\n  // depending on the direction and if cycle is allowed\n  if (index === -1) {\n    return !shouldGetNext && isCycleAllowed ? list[listLength - 1] : list[0];\n  }\n  index += shouldGetNext ? 1 : -1;\n  if (isCycleAllowed) {\n    index = (index + listLength) % listLength;\n  }\n  return list[Math.max(0, Math.min(index, listLength - 1))];\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/event-handler.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst namespaceRegex = /[^.]*(?=\\..*)\\.|.*/;\nconst stripNameRegex = /\\..*/;\nconst stripUidRegex = /::\\d+$/;\nconst eventRegistry = {}; // Events storage\nlet uidEvent = 1;\nconst customEvents = {\n  mouseenter: 'mouseover',\n  mouseleave: 'mouseout'\n};\nconst nativeEvents = new Set(['click', 'dblclick', 'mouseup', 'mousedown', 'contextmenu', 'mousewheel', 'DOMMouseScroll', 'mouseover', 'mouseout', 'mousemove', 'selectstart', 'selectend', 'keydown', 'keypress', 'keyup', 'orientationchange', 'touchstart', 'touchmove', 'touchend', 'touchcancel', 'pointerdown', 'pointermove', 'pointerup', 'pointerleave', 'pointercancel', 'gesturestart', 'gesturechange', 'gestureend', 'focus', 'blur', 'change', 'reset', 'select', 'submit', 'focusin', 'focusout', 'load', 'unload', 'beforeunload', 'resize', 'move', 'DOMContentLoaded', 'readystatechange', 'error', 'abort', 'scroll']);\n\n/**\n * Private methods\n */\n\nfunction makeEventUid(element, uid) {\n  return uid && `${uid}::${uidEvent++}` || element.uidEvent || uidEvent++;\n}\nfunction getElementEvents(element) {\n  const uid = makeEventUid(element);\n  element.uidEvent = uid;\n  eventRegistry[uid] = eventRegistry[uid] || {};\n  return eventRegistry[uid];\n}\nfunction bootstrapHandler(element, fn) {\n  return function handler(event) {\n    hydrateObj(event, {\n      delegateTarget: element\n    });\n    if (handler.oneOff) {\n      EventHandler.off(element, event.type, fn);\n    }\n    return fn.apply(element, [event]);\n  };\n}\nfunction bootstrapDelegationHandler(element, selector, fn) {\n  return function handler(event) {\n    const domElements = element.querySelectorAll(selector);\n    for (let {\n      target\n    } = event; target && target !== this; target = target.parentNode) {\n      for (const domElement of domElements) {\n        if (domElement !== target) {\n          continue;\n        }\n        hydrateObj(event, {\n          delegateTarget: target\n        });\n        if (handler.oneOff) {\n          EventHandler.off(element, event.type, selector, fn);\n        }\n        return fn.apply(target, [event]);\n      }\n    }\n  };\n}\nfunction findHandler(events, callable, delegationSelector = null) {\n  return Object.values(events).find(event => event.callable === callable && event.delegationSelector === delegationSelector);\n}\nfunction normalizeParameters(originalTypeEvent, handler, delegationFunction) {\n  const isDelegated = typeof handler === 'string';\n  // TODO: tooltip passes `false` instead of selector, so we need to check\n  const callable = isDelegated ? delegationFunction : handler || delegationFunction;\n  let typeEvent = getTypeEvent(originalTypeEvent);\n  if (!nativeEvents.has(typeEvent)) {\n    typeEvent = originalTypeEvent;\n  }\n  return [isDelegated, callable, typeEvent];\n}\nfunction addHandler(element, originalTypeEvent, handler, delegationFunction, oneOff) {\n  if (typeof originalTypeEvent !== 'string' || !element) {\n    return;\n  }\n  let [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n\n  // in case of mouseenter or mouseleave wrap the handler within a function that checks for its DOM position\n  // this prevents the handler from being dispatched the same way as mouseover or mouseout does\n  if (originalTypeEvent in customEvents) {\n    const wrapFunction = fn => {\n      return function (event) {\n        if (!event.relatedTarget || event.relatedTarget !== event.delegateTarget && !event.delegateTarget.contains(event.relatedTarget)) {\n          return fn.call(this, event);\n        }\n      };\n    };\n    callable = wrapFunction(callable);\n  }\n  const events = getElementEvents(element);\n  const handlers = events[typeEvent] || (events[typeEvent] = {});\n  const previousFunction = findHandler(handlers, callable, isDelegated ? handler : null);\n  if (previousFunction) {\n    previousFunction.oneOff = previousFunction.oneOff && oneOff;\n    return;\n  }\n  const uid = makeEventUid(callable, originalTypeEvent.replace(namespaceRegex, ''));\n  const fn = isDelegated ? bootstrapDelegationHandler(element, handler, callable) : bootstrapHandler(element, callable);\n  fn.delegationSelector = isDelegated ? handler : null;\n  fn.callable = callable;\n  fn.oneOff = oneOff;\n  fn.uidEvent = uid;\n  handlers[uid] = fn;\n  element.addEventListener(typeEvent, fn, isDelegated);\n}\nfunction removeHandler(element, events, typeEvent, handler, delegationSelector) {\n  const fn = findHandler(events[typeEvent], handler, delegationSelector);\n  if (!fn) {\n    return;\n  }\n  element.removeEventListener(typeEvent, fn, Boolean(delegationSelector));\n  delete events[typeEvent][fn.uidEvent];\n}\nfunction removeNamespacedHandlers(element, events, typeEvent, namespace) {\n  const storeElementEvent = events[typeEvent] || {};\n  for (const [handlerKey, event] of Object.entries(storeElementEvent)) {\n    if (handlerKey.includes(namespace)) {\n      removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n    }\n  }\n}\nfunction getTypeEvent(event) {\n  // allow to get the native events from namespaced events ('click.bs.button' --> 'click')\n  event = event.replace(stripNameRegex, '');\n  return customEvents[event] || event;\n}\nconst EventHandler = {\n  on(element, event, handler, delegationFunction) {\n    addHandler(element, event, handler, delegationFunction, false);\n  },\n  one(element, event, handler, delegationFunction) {\n    addHandler(element, event, handler, delegationFunction, true);\n  },\n  off(element, originalTypeEvent, handler, delegationFunction) {\n    if (typeof originalTypeEvent !== 'string' || !element) {\n      return;\n    }\n    const [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n    const inNamespace = typeEvent !== originalTypeEvent;\n    const events = getElementEvents(element);\n    const storeElementEvent = events[typeEvent] || {};\n    const isNamespace = originalTypeEvent.startsWith('.');\n    if (typeof callable !== 'undefined') {\n      // Simplest case: handler is passed, remove that listener ONLY.\n      if (!Object.keys(storeElementEvent).length) {\n        return;\n      }\n      removeHandler(element, events, typeEvent, callable, isDelegated ? handler : null);\n      return;\n    }\n    if (isNamespace) {\n      for (const elementEvent of Object.keys(events)) {\n        removeNamespacedHandlers(element, events, elementEvent, originalTypeEvent.slice(1));\n      }\n    }\n    for (const [keyHandlers, event] of Object.entries(storeElementEvent)) {\n      const handlerKey = keyHandlers.replace(stripUidRegex, '');\n      if (!inNamespace || originalTypeEvent.includes(handlerKey)) {\n        removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n      }\n    }\n  },\n  trigger(element, event, args) {\n    if (typeof event !== 'string' || !element) {\n      return null;\n    }\n    const $ = getjQuery();\n    const typeEvent = getTypeEvent(event);\n    const inNamespace = event !== typeEvent;\n    let jQueryEvent = null;\n    let bubbles = true;\n    let nativeDispatch = true;\n    let defaultPrevented = false;\n    if (inNamespace && $) {\n      jQueryEvent = $.Event(event, args);\n      $(element).trigger(jQueryEvent);\n      bubbles = !jQueryEvent.isPropagationStopped();\n      nativeDispatch = !jQueryEvent.isImmediatePropagationStopped();\n      defaultPrevented = jQueryEvent.isDefaultPrevented();\n    }\n    const evt = hydrateObj(new Event(event, {\n      bubbles,\n      cancelable: true\n    }), args);\n    if (defaultPrevented) {\n      evt.preventDefault();\n    }\n    if (nativeDispatch) {\n      element.dispatchEvent(evt);\n    }\n    if (evt.defaultPrevented && jQueryEvent) {\n      jQueryEvent.preventDefault();\n    }\n    return evt;\n  }\n};\nfunction hydrateObj(obj, meta = {}) {\n  for (const [key, value] of Object.entries(meta)) {\n    try {\n      obj[key] = value;\n    } catch (_unused) {\n      Object.defineProperty(obj, key, {\n        configurable: true,\n        get() {\n          return value;\n        }\n      });\n    }\n  }\n  return obj;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/manipulator.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nfunction normalizeData(value) {\n  if (value === 'true') {\n    return true;\n  }\n  if (value === 'false') {\n    return false;\n  }\n  if (value === Number(value).toString()) {\n    return Number(value);\n  }\n  if (value === '' || value === 'null') {\n    return null;\n  }\n  if (typeof value !== 'string') {\n    return value;\n  }\n  try {\n    return JSON.parse(decodeURIComponent(value));\n  } catch (_unused) {\n    return value;\n  }\n}\nfunction normalizeDataKey(key) {\n  return key.replace(/[A-Z]/g, chr => `-${chr.toLowerCase()}`);\n}\nconst Manipulator = {\n  setDataAttribute(element, key, value) {\n    element.setAttribute(`data-bs-${normalizeDataKey(key)}`, value);\n  },\n  removeDataAttribute(element, key) {\n    element.removeAttribute(`data-bs-${normalizeDataKey(key)}`);\n  },\n  getDataAttributes(element) {\n    if (!element) {\n      return {};\n    }\n    const attributes = {};\n    const bsKeys = Object.keys(element.dataset).filter(key => key.startsWith('bs') && !key.startsWith('bsConfig'));\n    for (const key of bsKeys) {\n      let pureKey = key.replace(/^bs/, '');\n      pureKey = pureKey.charAt(0).toLowerCase() + pureKey.slice(1, pureKey.length);\n      attributes[pureKey] = normalizeData(element.dataset[key]);\n    }\n    return attributes;\n  },\n  getDataAttribute(element, key) {\n    return normalizeData(element.getAttribute(`data-bs-${normalizeDataKey(key)}`));\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/config.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Class definition\n */\n\nclass Config {\n  // Getters\n  static get Default() {\n    return {};\n  }\n  static get DefaultType() {\n    return {};\n  }\n  static get NAME() {\n    throw new Error('You have to implement the static method \"NAME\", for each component!');\n  }\n  _getConfig(config) {\n    config = this._mergeConfigObj(config);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n  _configAfterMerge(config) {\n    return config;\n  }\n  _mergeConfigObj(config, element) {\n    const jsonConfig = isElement(element) ? Manipulator.getDataAttribute(element, 'config') : {}; // try to parse\n\n    return {\n      ...this.constructor.Default,\n      ...(typeof jsonConfig === 'object' ? jsonConfig : {}),\n      ...(isElement(element) ? Manipulator.getDataAttributes(element) : {}),\n      ...(typeof config === 'object' ? config : {})\n    };\n  }\n  _typeCheckConfig(config, configTypes = this.constructor.DefaultType) {\n    for (const [property, expectedTypes] of Object.entries(configTypes)) {\n      const value = config[property];\n      const valueType = isElement(value) ? 'element' : toType(value);\n      if (!new RegExp(expectedTypes).test(valueType)) {\n        throw new TypeError(`${this.constructor.NAME.toUpperCase()}: Option \"${property}\" provided type \"${valueType}\" but expected type \"${expectedTypes}\".`);\n      }\n    }\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap base-component.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst VERSION = '5.3.3';\n\n/**\n * Class definition\n */\n\nclass BaseComponent extends Config {\n  constructor(element, config) {\n    super();\n    element = getElement(element);\n    if (!element) {\n      return;\n    }\n    this._element = element;\n    this._config = this._getConfig(config);\n    Data.set(this._element, this.constructor.DATA_KEY, this);\n  }\n\n  // Public\n  dispose() {\n    Data.remove(this._element, this.constructor.DATA_KEY);\n    EventHandler.off(this._element, this.constructor.EVENT_KEY);\n    for (const propertyName of Object.getOwnPropertyNames(this)) {\n      this[propertyName] = null;\n    }\n  }\n  _queueCallback(callback, element, isAnimated = true) {\n    executeAfterTransition(callback, element, isAnimated);\n  }\n  _getConfig(config) {\n    config = this._mergeConfigObj(config, this._element);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n\n  // Static\n  static getInstance(element) {\n    return Data.get(getElement(element), this.DATA_KEY);\n  }\n  static getOrCreateInstance(element, config = {}) {\n    return this.getInstance(element) || new this(element, typeof config === 'object' ? config : null);\n  }\n  static get VERSION() {\n    return VERSION;\n  }\n  static get DATA_KEY() {\n    return `bs.${this.NAME}`;\n  }\n  static get EVENT_KEY() {\n    return `.${this.DATA_KEY}`;\n  }\n  static eventName(name) {\n    return `${name}${this.EVENT_KEY}`;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/selector-engine.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst getSelector = element => {\n  let selector = element.getAttribute('data-bs-target');\n  if (!selector || selector === '#') {\n    let hrefAttribute = element.getAttribute('href');\n\n    // The only valid content that could double as a selector are IDs or classes,\n    // so everything starting with `#` or `.`. If a \"real\" URL is used as the selector,\n    // `document.querySelector` will rightfully complain it is invalid.\n    // See https://github.com/twbs/bootstrap/issues/32273\n    if (!hrefAttribute || !hrefAttribute.includes('#') && !hrefAttribute.startsWith('.')) {\n      return null;\n    }\n\n    // Just in case some CMS puts out a full URL with the anchor appended\n    if (hrefAttribute.includes('#') && !hrefAttribute.startsWith('#')) {\n      hrefAttribute = `#${hrefAttribute.split('#')[1]}`;\n    }\n    selector = hrefAttribute && hrefAttribute !== '#' ? hrefAttribute.trim() : null;\n  }\n  return selector ? selector.split(',').map(sel => parseSelector(sel)).join(',') : null;\n};\nconst SelectorEngine = {\n  find(selector, element = document.documentElement) {\n    return [].concat(...Element.prototype.querySelectorAll.call(element, selector));\n  },\n  findOne(selector, element = document.documentElement) {\n    return Element.prototype.querySelector.call(element, selector);\n  },\n  children(element, selector) {\n    return [].concat(...element.children).filter(child => child.matches(selector));\n  },\n  parents(element, selector) {\n    const parents = [];\n    let ancestor = element.parentNode.closest(selector);\n    while (ancestor) {\n      parents.push(ancestor);\n      ancestor = ancestor.parentNode.closest(selector);\n    }\n    return parents;\n  },\n  prev(element, selector) {\n    let previous = element.previousElementSibling;\n    while (previous) {\n      if (previous.matches(selector)) {\n        return [previous];\n      }\n      previous = previous.previousElementSibling;\n    }\n    return [];\n  },\n  // TODO: this is now unused; remove later along with prev()\n  next(element, selector) {\n    let next = element.nextElementSibling;\n    while (next) {\n      if (next.matches(selector)) {\n        return [next];\n      }\n      next = next.nextElementSibling;\n    }\n    return [];\n  },\n  focusableChildren(element) {\n    const focusables = ['a', 'button', 'input', 'textarea', 'select', 'details', '[tabindex]', '[contenteditable=\"true\"]'].map(selector => `${selector}:not([tabindex^=\"-\"])`).join(',');\n    return this.find(focusables, element).filter(el => !isDisabled(el) && isVisible(el));\n  },\n  getSelectorFromElement(element) {\n    const selector = getSelector(element);\n    if (selector) {\n      return SelectorEngine.findOne(selector) ? selector : null;\n    }\n    return null;\n  },\n  getElementFromSelector(element) {\n    const selector = getSelector(element);\n    return selector ? SelectorEngine.findOne(selector) : null;\n  },\n  getMultipleElementsFromSelector(element) {\n    const selector = getSelector(element);\n    return selector ? SelectorEngine.find(selector) : [];\n  }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/component-functions.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst enableDismissTrigger = (component, method = 'hide') => {\n  const clickEvent = `click.dismiss${component.EVENT_KEY}`;\n  const name = component.NAME;\n  EventHandler.on(document, clickEvent, `[data-bs-dismiss=\"${name}\"]`, function (event) {\n    if (['A', 'AREA'].includes(this.tagName)) {\n      event.preventDefault();\n    }\n    if (isDisabled(this)) {\n      return;\n    }\n    const target = SelectorEngine.getElementFromSelector(this) || this.closest(`.${name}`);\n    const instance = component.getOrCreateInstance(target);\n\n    // Method argument is left, for Alert and only, as it doesn't implement the 'hide' method\n    instance[method]();\n  });\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap alert.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$f = 'alert';\nconst DATA_KEY$a = 'bs.alert';\nconst EVENT_KEY$b = `.${DATA_KEY$a}`;\nconst EVENT_CLOSE = `close${EVENT_KEY$b}`;\nconst EVENT_CLOSED = `closed${EVENT_KEY$b}`;\nconst CLASS_NAME_FADE$5 = 'fade';\nconst CLASS_NAME_SHOW$8 = 'show';\n\n/**\n * Class definition\n */\n\nclass Alert extends BaseComponent {\n  // Getters\n  static get NAME() {\n    return NAME$f;\n  }\n\n  // Public\n  close() {\n    const closeEvent = EventHandler.trigger(this._element, EVENT_CLOSE);\n    if (closeEvent.defaultPrevented) {\n      return;\n    }\n    this._element.classList.remove(CLASS_NAME_SHOW$8);\n    const isAnimated = this._element.classList.contains(CLASS_NAME_FADE$5);\n    this._queueCallback(() => this._destroyElement(), this._element, isAnimated);\n  }\n\n  // Private\n  _destroyElement() {\n    this._element.remove();\n    EventHandler.trigger(this._element, EVENT_CLOSED);\n    this.dispose();\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Alert.getOrCreateInstance(this);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](this);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nenableDismissTrigger(Alert, 'close');\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Alert);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap button.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$e = 'button';\nconst DATA_KEY$9 = 'bs.button';\nconst EVENT_KEY$a = `.${DATA_KEY$9}`;\nconst DATA_API_KEY$6 = '.data-api';\nconst CLASS_NAME_ACTIVE$3 = 'active';\nconst SELECTOR_DATA_TOGGLE$5 = '[data-bs-toggle=\"button\"]';\nconst EVENT_CLICK_DATA_API$6 = `click${EVENT_KEY$a}${DATA_API_KEY$6}`;\n\n/**\n * Class definition\n */\n\nclass Button extends BaseComponent {\n  // Getters\n  static get NAME() {\n    return NAME$e;\n  }\n\n  // Public\n  toggle() {\n    // Toggle class and sync the `aria-pressed` attribute with the return value of the `.toggle()` method\n    this._element.setAttribute('aria-pressed', this._element.classList.toggle(CLASS_NAME_ACTIVE$3));\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Button.getOrCreateInstance(this);\n      if (config === 'toggle') {\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$6, SELECTOR_DATA_TOGGLE$5, event => {\n  event.preventDefault();\n  const button = event.target.closest(SELECTOR_DATA_TOGGLE$5);\n  const data = Button.getOrCreateInstance(button);\n  data.toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Button);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/swipe.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$d = 'swipe';\nconst EVENT_KEY$9 = '.bs.swipe';\nconst EVENT_TOUCHSTART = `touchstart${EVENT_KEY$9}`;\nconst EVENT_TOUCHMOVE = `touchmove${EVENT_KEY$9}`;\nconst EVENT_TOUCHEND = `touchend${EVENT_KEY$9}`;\nconst EVENT_POINTERDOWN = `pointerdown${EVENT_KEY$9}`;\nconst EVENT_POINTERUP = `pointerup${EVENT_KEY$9}`;\nconst POINTER_TYPE_TOUCH = 'touch';\nconst POINTER_TYPE_PEN = 'pen';\nconst CLASS_NAME_POINTER_EVENT = 'pointer-event';\nconst SWIPE_THRESHOLD = 40;\nconst Default$c = {\n  endCallback: null,\n  leftCallback: null,\n  rightCallback: null\n};\nconst DefaultType$c = {\n  endCallback: '(function|null)',\n  leftCallback: '(function|null)',\n  rightCallback: '(function|null)'\n};\n\n/**\n * Class definition\n */\n\nclass Swipe extends Config {\n  constructor(element, config) {\n    super();\n    this._element = element;\n    if (!element || !Swipe.isSupported()) {\n      return;\n    }\n    this._config = this._getConfig(config);\n    this._deltaX = 0;\n    this._supportPointerEvents = Boolean(window.PointerEvent);\n    this._initEvents();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$c;\n  }\n  static get DefaultType() {\n    return DefaultType$c;\n  }\n  static get NAME() {\n    return NAME$d;\n  }\n\n  // Public\n  dispose() {\n    EventHandler.off(this._element, EVENT_KEY$9);\n  }\n\n  // Private\n  _start(event) {\n    if (!this._supportPointerEvents) {\n      this._deltaX = event.touches[0].clientX;\n      return;\n    }\n    if (this._eventIsPointerPenTouch(event)) {\n      this._deltaX = event.clientX;\n    }\n  }\n  _end(event) {\n    if (this._eventIsPointerPenTouch(event)) {\n      this._deltaX = event.clientX - this._deltaX;\n    }\n    this._handleSwipe();\n    execute(this._config.endCallback);\n  }\n  _move(event) {\n    this._deltaX = event.touches && event.touches.length > 1 ? 0 : event.touches[0].clientX - this._deltaX;\n  }\n  _handleSwipe() {\n    const absDeltaX = Math.abs(this._deltaX);\n    if (absDeltaX <= SWIPE_THRESHOLD) {\n      return;\n    }\n    const direction = absDeltaX / this._deltaX;\n    this._deltaX = 0;\n    if (!direction) {\n      return;\n    }\n    execute(direction > 0 ? this._config.rightCallback : this._config.leftCallback);\n  }\n  _initEvents() {\n    if (this._supportPointerEvents) {\n      EventHandler.on(this._element, EVENT_POINTERDOWN, event => this._start(event));\n      EventHandler.on(this._element, EVENT_POINTERUP, event => this._end(event));\n      this._element.classList.add(CLASS_NAME_POINTER_EVENT);\n    } else {\n      EventHandler.on(this._element, EVENT_TOUCHSTART, event => this._start(event));\n      EventHandler.on(this._element, EVENT_TOUCHMOVE, event => this._move(event));\n      EventHandler.on(this._element, EVENT_TOUCHEND, event => this._end(event));\n    }\n  }\n  _eventIsPointerPenTouch(event) {\n    return this._supportPointerEvents && (event.pointerType === POINTER_TYPE_PEN || event.pointerType === POINTER_TYPE_TOUCH);\n  }\n\n  // Static\n  static isSupported() {\n    return 'ontouchstart' in document.documentElement || navigator.maxTouchPoints > 0;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap carousel.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$c = 'carousel';\nconst DATA_KEY$8 = 'bs.carousel';\nconst EVENT_KEY$8 = `.${DATA_KEY$8}`;\nconst DATA_API_KEY$5 = '.data-api';\nconst ARROW_LEFT_KEY$1 = 'ArrowLeft';\nconst ARROW_RIGHT_KEY$1 = 'ArrowRight';\nconst TOUCHEVENT_COMPAT_WAIT = 500; // Time for mouse compat events to fire after touch\n\nconst ORDER_NEXT = 'next';\nconst ORDER_PREV = 'prev';\nconst DIRECTION_LEFT = 'left';\nconst DIRECTION_RIGHT = 'right';\nconst EVENT_SLIDE = `slide${EVENT_KEY$8}`;\nconst EVENT_SLID = `slid${EVENT_KEY$8}`;\nconst EVENT_KEYDOWN$1 = `keydown${EVENT_KEY$8}`;\nconst EVENT_MOUSEENTER$1 = `mouseenter${EVENT_KEY$8}`;\nconst EVENT_MOUSELEAVE$1 = `mouseleave${EVENT_KEY$8}`;\nconst EVENT_DRAG_START = `dragstart${EVENT_KEY$8}`;\nconst EVENT_LOAD_DATA_API$3 = `load${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst EVENT_CLICK_DATA_API$5 = `click${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst CLASS_NAME_CAROUSEL = 'carousel';\nconst CLASS_NAME_ACTIVE$2 = 'active';\nconst CLASS_NAME_SLIDE = 'slide';\nconst CLASS_NAME_END = 'carousel-item-end';\nconst CLASS_NAME_START = 'carousel-item-start';\nconst CLASS_NAME_NEXT = 'carousel-item-next';\nconst CLASS_NAME_PREV = 'carousel-item-prev';\nconst SELECTOR_ACTIVE = '.active';\nconst SELECTOR_ITEM = '.carousel-item';\nconst SELECTOR_ACTIVE_ITEM = SELECTOR_ACTIVE + SELECTOR_ITEM;\nconst SELECTOR_ITEM_IMG = '.carousel-item img';\nconst SELECTOR_INDICATORS = '.carousel-indicators';\nconst SELECTOR_DATA_SLIDE = '[data-bs-slide], [data-bs-slide-to]';\nconst SELECTOR_DATA_RIDE = '[data-bs-ride=\"carousel\"]';\nconst KEY_TO_DIRECTION = {\n  [ARROW_LEFT_KEY$1]: DIRECTION_RIGHT,\n  [ARROW_RIGHT_KEY$1]: DIRECTION_LEFT\n};\nconst Default$b = {\n  interval: 5000,\n  keyboard: true,\n  pause: 'hover',\n  ride: false,\n  touch: true,\n  wrap: true\n};\nconst DefaultType$b = {\n  interval: '(number|boolean)',\n  // TODO:v6 remove boolean support\n  keyboard: 'boolean',\n  pause: '(string|boolean)',\n  ride: '(boolean|string)',\n  touch: 'boolean',\n  wrap: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Carousel extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._interval = null;\n    this._activeElement = null;\n    this._isSliding = false;\n    this.touchTimeout = null;\n    this._swipeHelper = null;\n    this._indicatorsElement = SelectorEngine.findOne(SELECTOR_INDICATORS, this._element);\n    this._addEventListeners();\n    if (this._config.ride === CLASS_NAME_CAROUSEL) {\n      this.cycle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$b;\n  }\n  static get DefaultType() {\n    return DefaultType$b;\n  }\n  static get NAME() {\n    return NAME$c;\n  }\n\n  // Public\n  next() {\n    this._slide(ORDER_NEXT);\n  }\n  nextWhenVisible() {\n    // FIXME TODO use `document.visibilityState`\n    // Don't call next when the page isn't visible\n    // or the carousel or its parent isn't visible\n    if (!document.hidden && isVisible(this._element)) {\n      this.next();\n    }\n  }\n  prev() {\n    this._slide(ORDER_PREV);\n  }\n  pause() {\n    if (this._isSliding) {\n      triggerTransitionEnd(this._element);\n    }\n    this._clearInterval();\n  }\n  cycle() {\n    this._clearInterval();\n    this._updateInterval();\n    this._interval = setInterval(() => this.nextWhenVisible(), this._config.interval);\n  }\n  _maybeEnableCycle() {\n    if (!this._config.ride) {\n      return;\n    }\n    if (this._isSliding) {\n      EventHandler.one(this._element, EVENT_SLID, () => this.cycle());\n      return;\n    }\n    this.cycle();\n  }\n  to(index) {\n    const items = this._getItems();\n    if (index > items.length - 1 || index < 0) {\n      return;\n    }\n    if (this._isSliding) {\n      EventHandler.one(this._element, EVENT_SLID, () => this.to(index));\n      return;\n    }\n    const activeIndex = this._getItemIndex(this._getActive());\n    if (activeIndex === index) {\n      return;\n    }\n    const order = index > activeIndex ? ORDER_NEXT : ORDER_PREV;\n    this._slide(order, items[index]);\n  }\n  dispose() {\n    if (this._swipeHelper) {\n      this._swipeHelper.dispose();\n    }\n    super.dispose();\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    config.defaultInterval = config.interval;\n    return config;\n  }\n  _addEventListeners() {\n    if (this._config.keyboard) {\n      EventHandler.on(this._element, EVENT_KEYDOWN$1, event => this._keydown(event));\n    }\n    if (this._config.pause === 'hover') {\n      EventHandler.on(this._element, EVENT_MOUSEENTER$1, () => this.pause());\n      EventHandler.on(this._element, EVENT_MOUSELEAVE$1, () => this._maybeEnableCycle());\n    }\n    if (this._config.touch && Swipe.isSupported()) {\n      this._addTouchEventListeners();\n    }\n  }\n  _addTouchEventListeners() {\n    for (const img of SelectorEngine.find(SELECTOR_ITEM_IMG, this._element)) {\n      EventHandler.on(img, EVENT_DRAG_START, event => event.preventDefault());\n    }\n    const endCallBack = () => {\n      if (this._config.pause !== 'hover') {\n        return;\n      }\n\n      // If it's a touch-enabled device, mouseenter/leave are fired as\n      // part of the mouse compatibility events on first tap - the carousel\n      // would stop cycling until user tapped out of it;\n      // here, we listen for touchend, explicitly pause the carousel\n      // (as if it's the second time we tap on it, mouseenter compat event\n      // is NOT fired) and after a timeout (to allow for mouse compatibility\n      // events to fire) we explicitly restart cycling\n\n      this.pause();\n      if (this.touchTimeout) {\n        clearTimeout(this.touchTimeout);\n      }\n      this.touchTimeout = setTimeout(() => this._maybeEnableCycle(), TOUCHEVENT_COMPAT_WAIT + this._config.interval);\n    };\n    const swipeConfig = {\n      leftCallback: () => this._slide(this._directionToOrder(DIRECTION_LEFT)),\n      rightCallback: () => this._slide(this._directionToOrder(DIRECTION_RIGHT)),\n      endCallback: endCallBack\n    };\n    this._swipeHelper = new Swipe(this._element, swipeConfig);\n  }\n  _keydown(event) {\n    if (/input|textarea/i.test(event.target.tagName)) {\n      return;\n    }\n    const direction = KEY_TO_DIRECTION[event.key];\n    if (direction) {\n      event.preventDefault();\n      this._slide(this._directionToOrder(direction));\n    }\n  }\n  _getItemIndex(element) {\n    return this._getItems().indexOf(element);\n  }\n  _setActiveIndicatorElement(index) {\n    if (!this._indicatorsElement) {\n      return;\n    }\n    const activeIndicator = SelectorEngine.findOne(SELECTOR_ACTIVE, this._indicatorsElement);\n    activeIndicator.classList.remove(CLASS_NAME_ACTIVE$2);\n    activeIndicator.removeAttribute('aria-current');\n    const newActiveIndicator = SelectorEngine.findOne(`[data-bs-slide-to=\"${index}\"]`, this._indicatorsElement);\n    if (newActiveIndicator) {\n      newActiveIndicator.classList.add(CLASS_NAME_ACTIVE$2);\n      newActiveIndicator.setAttribute('aria-current', 'true');\n    }\n  }\n  _updateInterval() {\n    const element = this._activeElement || this._getActive();\n    if (!element) {\n      return;\n    }\n    const elementInterval = Number.parseInt(element.getAttribute('data-bs-interval'), 10);\n    this._config.interval = elementInterval || this._config.defaultInterval;\n  }\n  _slide(order, element = null) {\n    if (this._isSliding) {\n      return;\n    }\n    const activeElement = this._getActive();\n    const isNext = order === ORDER_NEXT;\n    const nextElement = element || getNextActiveElement(this._getItems(), activeElement, isNext, this._config.wrap);\n    if (nextElement === activeElement) {\n      return;\n    }\n    const nextElementIndex = this._getItemIndex(nextElement);\n    const triggerEvent = eventName => {\n      return EventHandler.trigger(this._element, eventName, {\n        relatedTarget: nextElement,\n        direction: this._orderToDirection(order),\n        from: this._getItemIndex(activeElement),\n        to: nextElementIndex\n      });\n    };\n    const slideEvent = triggerEvent(EVENT_SLIDE);\n    if (slideEvent.defaultPrevented) {\n      return;\n    }\n    if (!activeElement || !nextElement) {\n      // Some weirdness is happening, so we bail\n      // TODO: change tests that use empty divs to avoid this check\n      return;\n    }\n    const isCycling = Boolean(this._interval);\n    this.pause();\n    this._isSliding = true;\n    this._setActiveIndicatorElement(nextElementIndex);\n    this._activeElement = nextElement;\n    const directionalClassName = isNext ? CLASS_NAME_START : CLASS_NAME_END;\n    const orderClassName = isNext ? CLASS_NAME_NEXT : CLASS_NAME_PREV;\n    nextElement.classList.add(orderClassName);\n    reflow(nextElement);\n    activeElement.classList.add(directionalClassName);\n    nextElement.classList.add(directionalClassName);\n    const completeCallBack = () => {\n      nextElement.classList.remove(directionalClassName, orderClassName);\n      nextElement.classList.add(CLASS_NAME_ACTIVE$2);\n      activeElement.classList.remove(CLASS_NAME_ACTIVE$2, orderClassName, directionalClassName);\n      this._isSliding = false;\n      triggerEvent(EVENT_SLID);\n    };\n    this._queueCallback(completeCallBack, activeElement, this._isAnimated());\n    if (isCycling) {\n      this.cycle();\n    }\n  }\n  _isAnimated() {\n    return this._element.classList.contains(CLASS_NAME_SLIDE);\n  }\n  _getActive() {\n    return SelectorEngine.findOne(SELECTOR_ACTIVE_ITEM, this._element);\n  }\n  _getItems() {\n    return SelectorEngine.find(SELECTOR_ITEM, this._element);\n  }\n  _clearInterval() {\n    if (this._interval) {\n      clearInterval(this._interval);\n      this._interval = null;\n    }\n  }\n  _directionToOrder(direction) {\n    if (isRTL()) {\n      return direction === DIRECTION_LEFT ? ORDER_PREV : ORDER_NEXT;\n    }\n    return direction === DIRECTION_LEFT ? ORDER_NEXT : ORDER_PREV;\n  }\n  _orderToDirection(order) {\n    if (isRTL()) {\n      return order === ORDER_PREV ? DIRECTION_LEFT : DIRECTION_RIGHT;\n    }\n    return order === ORDER_PREV ? DIRECTION_RIGHT : DIRECTION_LEFT;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Carousel.getOrCreateInstance(this, config);\n      if (typeof config === 'number') {\n        data.to(config);\n        return;\n      }\n      if (typeof config === 'string') {\n        if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$5, SELECTOR_DATA_SLIDE, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (!target || !target.classList.contains(CLASS_NAME_CAROUSEL)) {\n    return;\n  }\n  event.preventDefault();\n  const carousel = Carousel.getOrCreateInstance(target);\n  const slideIndex = this.getAttribute('data-bs-slide-to');\n  if (slideIndex) {\n    carousel.to(slideIndex);\n    carousel._maybeEnableCycle();\n    return;\n  }\n  if (Manipulator.getDataAttribute(this, 'slide') === 'next') {\n    carousel.next();\n    carousel._maybeEnableCycle();\n    return;\n  }\n  carousel.prev();\n  carousel._maybeEnableCycle();\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$3, () => {\n  const carousels = SelectorEngine.find(SELECTOR_DATA_RIDE);\n  for (const carousel of carousels) {\n    Carousel.getOrCreateInstance(carousel);\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Carousel);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap collapse.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$b = 'collapse';\nconst DATA_KEY$7 = 'bs.collapse';\nconst EVENT_KEY$7 = `.${DATA_KEY$7}`;\nconst DATA_API_KEY$4 = '.data-api';\nconst EVENT_SHOW$6 = `show${EVENT_KEY$7}`;\nconst EVENT_SHOWN$6 = `shown${EVENT_KEY$7}`;\nconst EVENT_HIDE$6 = `hide${EVENT_KEY$7}`;\nconst EVENT_HIDDEN$6 = `hidden${EVENT_KEY$7}`;\nconst EVENT_CLICK_DATA_API$4 = `click${EVENT_KEY$7}${DATA_API_KEY$4}`;\nconst CLASS_NAME_SHOW$7 = 'show';\nconst CLASS_NAME_COLLAPSE = 'collapse';\nconst CLASS_NAME_COLLAPSING = 'collapsing';\nconst CLASS_NAME_COLLAPSED = 'collapsed';\nconst CLASS_NAME_DEEPER_CHILDREN = `:scope .${CLASS_NAME_COLLAPSE} .${CLASS_NAME_COLLAPSE}`;\nconst CLASS_NAME_HORIZONTAL = 'collapse-horizontal';\nconst WIDTH = 'width';\nconst HEIGHT = 'height';\nconst SELECTOR_ACTIVES = '.collapse.show, .collapse.collapsing';\nconst SELECTOR_DATA_TOGGLE$4 = '[data-bs-toggle=\"collapse\"]';\nconst Default$a = {\n  parent: null,\n  toggle: true\n};\nconst DefaultType$a = {\n  parent: '(null|element)',\n  toggle: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Collapse extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._isTransitioning = false;\n    this._triggerArray = [];\n    const toggleList = SelectorEngine.find(SELECTOR_DATA_TOGGLE$4);\n    for (const elem of toggleList) {\n      const selector = SelectorEngine.getSelectorFromElement(elem);\n      const filterElement = SelectorEngine.find(selector).filter(foundElement => foundElement === this._element);\n      if (selector !== null && filterElement.length) {\n        this._triggerArray.push(elem);\n      }\n    }\n    this._initializeChildren();\n    if (!this._config.parent) {\n      this._addAriaAndCollapsedClass(this._triggerArray, this._isShown());\n    }\n    if (this._config.toggle) {\n      this.toggle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$a;\n  }\n  static get DefaultType() {\n    return DefaultType$a;\n  }\n  static get NAME() {\n    return NAME$b;\n  }\n\n  // Public\n  toggle() {\n    if (this._isShown()) {\n      this.hide();\n    } else {\n      this.show();\n    }\n  }\n  show() {\n    if (this._isTransitioning || this._isShown()) {\n      return;\n    }\n    let activeChildren = [];\n\n    // find active children\n    if (this._config.parent) {\n      activeChildren = this._getFirstLevelChildren(SELECTOR_ACTIVES).filter(element => element !== this._element).map(element => Collapse.getOrCreateInstance(element, {\n        toggle: false\n      }));\n    }\n    if (activeChildren.length && activeChildren[0]._isTransitioning) {\n      return;\n    }\n    const startEvent = EventHandler.trigger(this._element, EVENT_SHOW$6);\n    if (startEvent.defaultPrevented) {\n      return;\n    }\n    for (const activeInstance of activeChildren) {\n      activeInstance.hide();\n    }\n    const dimension = this._getDimension();\n    this._element.classList.remove(CLASS_NAME_COLLAPSE);\n    this._element.classList.add(CLASS_NAME_COLLAPSING);\n    this._element.style[dimension] = 0;\n    this._addAriaAndCollapsedClass(this._triggerArray, true);\n    this._isTransitioning = true;\n    const complete = () => {\n      this._isTransitioning = false;\n      this._element.classList.remove(CLASS_NAME_COLLAPSING);\n      this._element.classList.add(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n      this._element.style[dimension] = '';\n      EventHandler.trigger(this._element, EVENT_SHOWN$6);\n    };\n    const capitalizedDimension = dimension[0].toUpperCase() + dimension.slice(1);\n    const scrollSize = `scroll${capitalizedDimension}`;\n    this._queueCallback(complete, this._element, true);\n    this._element.style[dimension] = `${this._element[scrollSize]}px`;\n  }\n  hide() {\n    if (this._isTransitioning || !this._isShown()) {\n      return;\n    }\n    const startEvent = EventHandler.trigger(this._element, EVENT_HIDE$6);\n    if (startEvent.defaultPrevented) {\n      return;\n    }\n    const dimension = this._getDimension();\n    this._element.style[dimension] = `${this._element.getBoundingClientRect()[dimension]}px`;\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_COLLAPSING);\n    this._element.classList.remove(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n    for (const trigger of this._triggerArray) {\n      const element = SelectorEngine.getElementFromSelector(trigger);\n      if (element && !this._isShown(element)) {\n        this._addAriaAndCollapsedClass([trigger], false);\n      }\n    }\n    this._isTransitioning = true;\n    const complete = () => {\n      this._isTransitioning = false;\n      this._element.classList.remove(CLASS_NAME_COLLAPSING);\n      this._element.classList.add(CLASS_NAME_COLLAPSE);\n      EventHandler.trigger(this._element, EVENT_HIDDEN$6);\n    };\n    this._element.style[dimension] = '';\n    this._queueCallback(complete, this._element, true);\n  }\n  _isShown(element = this._element) {\n    return element.classList.contains(CLASS_NAME_SHOW$7);\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    config.toggle = Boolean(config.toggle); // Coerce string values\n    config.parent = getElement(config.parent);\n    return config;\n  }\n  _getDimension() {\n    return this._element.classList.contains(CLASS_NAME_HORIZONTAL) ? WIDTH : HEIGHT;\n  }\n  _initializeChildren() {\n    if (!this._config.parent) {\n      return;\n    }\n    const children = this._getFirstLevelChildren(SELECTOR_DATA_TOGGLE$4);\n    for (const element of children) {\n      const selected = SelectorEngine.getElementFromSelector(element);\n      if (selected) {\n        this._addAriaAndCollapsedClass([element], this._isShown(selected));\n      }\n    }\n  }\n  _getFirstLevelChildren(selector) {\n    const children = SelectorEngine.find(CLASS_NAME_DEEPER_CHILDREN, this._config.parent);\n    // remove children if greater depth\n    return SelectorEngine.find(selector, this._config.parent).filter(element => !children.includes(element));\n  }\n  _addAriaAndCollapsedClass(triggerArray, isOpen) {\n    if (!triggerArray.length) {\n      return;\n    }\n    for (const element of triggerArray) {\n      element.classList.toggle(CLASS_NAME_COLLAPSED, !isOpen);\n      element.setAttribute('aria-expanded', isOpen);\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    const _config = {};\n    if (typeof config === 'string' && /show|hide/.test(config)) {\n      _config.toggle = false;\n    }\n    return this.each(function () {\n      const data = Collapse.getOrCreateInstance(this, _config);\n      if (typeof config === 'string') {\n        if (typeof data[config] === 'undefined') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config]();\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$4, SELECTOR_DATA_TOGGLE$4, function (event) {\n  // preventDefault only for <a> elements (which change the URL) not inside the collapsible element\n  if (event.target.tagName === 'A' || event.delegateTarget && event.delegateTarget.tagName === 'A') {\n    event.preventDefault();\n  }\n  for (const element of SelectorEngine.getMultipleElementsFromSelector(this)) {\n    Collapse.getOrCreateInstance(element, {\n      toggle: false\n    }).toggle();\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Collapse);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dropdown.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$a = 'dropdown';\nconst DATA_KEY$6 = 'bs.dropdown';\nconst EVENT_KEY$6 = `.${DATA_KEY$6}`;\nconst DATA_API_KEY$3 = '.data-api';\nconst ESCAPE_KEY$2 = 'Escape';\nconst TAB_KEY$1 = 'Tab';\nconst ARROW_UP_KEY$1 = 'ArrowUp';\nconst ARROW_DOWN_KEY$1 = 'ArrowDown';\nconst RIGHT_MOUSE_BUTTON = 2; // MouseEvent.button value for the secondary button, usually the right button\n\nconst EVENT_HIDE$5 = `hide${EVENT_KEY$6}`;\nconst EVENT_HIDDEN$5 = `hidden${EVENT_KEY$6}`;\nconst EVENT_SHOW$5 = `show${EVENT_KEY$6}`;\nconst EVENT_SHOWN$5 = `shown${EVENT_KEY$6}`;\nconst EVENT_CLICK_DATA_API$3 = `click${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYDOWN_DATA_API = `keydown${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYUP_DATA_API = `keyup${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst CLASS_NAME_SHOW$6 = 'show';\nconst CLASS_NAME_DROPUP = 'dropup';\nconst CLASS_NAME_DROPEND = 'dropend';\nconst CLASS_NAME_DROPSTART = 'dropstart';\nconst CLASS_NAME_DROPUP_CENTER = 'dropup-center';\nconst CLASS_NAME_DROPDOWN_CENTER = 'dropdown-center';\nconst SELECTOR_DATA_TOGGLE$3 = '[data-bs-toggle=\"dropdown\"]:not(.disabled):not(:disabled)';\nconst SELECTOR_DATA_TOGGLE_SHOWN = `${SELECTOR_DATA_TOGGLE$3}.${CLASS_NAME_SHOW$6}`;\nconst SELECTOR_MENU = '.dropdown-menu';\nconst SELECTOR_NAVBAR = '.navbar';\nconst SELECTOR_NAVBAR_NAV = '.navbar-nav';\nconst SELECTOR_VISIBLE_ITEMS = '.dropdown-menu .dropdown-item:not(.disabled):not(:disabled)';\nconst PLACEMENT_TOP = isRTL() ? 'top-end' : 'top-start';\nconst PLACEMENT_TOPEND = isRTL() ? 'top-start' : 'top-end';\nconst PLACEMENT_BOTTOM = isRTL() ? 'bottom-end' : 'bottom-start';\nconst PLACEMENT_BOTTOMEND = isRTL() ? 'bottom-start' : 'bottom-end';\nconst PLACEMENT_RIGHT = isRTL() ? 'left-start' : 'right-start';\nconst PLACEMENT_LEFT = isRTL() ? 'right-start' : 'left-start';\nconst PLACEMENT_TOPCENTER = 'top';\nconst PLACEMENT_BOTTOMCENTER = 'bottom';\nconst Default$9 = {\n  autoClose: true,\n  boundary: 'clippingParents',\n  display: 'dynamic',\n  offset: [0, 2],\n  popperConfig: null,\n  reference: 'toggle'\n};\nconst DefaultType$9 = {\n  autoClose: '(boolean|string)',\n  boundary: '(string|element)',\n  display: 'string',\n  offset: '(array|string|function)',\n  popperConfig: '(null|object|function)',\n  reference: '(string|element|object)'\n};\n\n/**\n * Class definition\n */\n\nclass Dropdown extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._popper = null;\n    this._parent = this._element.parentNode; // dropdown wrapper\n    // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n    this._menu = SelectorEngine.next(this._element, SELECTOR_MENU)[0] || SelectorEngine.prev(this._element, SELECTOR_MENU)[0] || SelectorEngine.findOne(SELECTOR_MENU, this._parent);\n    this._inNavbar = this._detectNavbar();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$9;\n  }\n  static get DefaultType() {\n    return DefaultType$9;\n  }\n  static get NAME() {\n    return NAME$a;\n  }\n\n  // Public\n  toggle() {\n    return this._isShown() ? this.hide() : this.show();\n  }\n  show() {\n    if (isDisabled(this._element) || this._isShown()) {\n      return;\n    }\n    const relatedTarget = {\n      relatedTarget: this._element\n    };\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$5, relatedTarget);\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._createPopper();\n\n    // If this is a touch-enabled device we add extra\n    // empty mouseover listeners to the body's immediate children;\n    // only needed because of broken event delegation on iOS\n    // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n    if ('ontouchstart' in document.documentElement && !this._parent.closest(SELECTOR_NAVBAR_NAV)) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.on(element, 'mouseover', noop);\n      }\n    }\n    this._element.focus();\n    this._element.setAttribute('aria-expanded', true);\n    this._menu.classList.add(CLASS_NAME_SHOW$6);\n    this._element.classList.add(CLASS_NAME_SHOW$6);\n    EventHandler.trigger(this._element, EVENT_SHOWN$5, relatedTarget);\n  }\n  hide() {\n    if (isDisabled(this._element) || !this._isShown()) {\n      return;\n    }\n    const relatedTarget = {\n      relatedTarget: this._element\n    };\n    this._completeHide(relatedTarget);\n  }\n  dispose() {\n    if (this._popper) {\n      this._popper.destroy();\n    }\n    super.dispose();\n  }\n  update() {\n    this._inNavbar = this._detectNavbar();\n    if (this._popper) {\n      this._popper.update();\n    }\n  }\n\n  // Private\n  _completeHide(relatedTarget) {\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$5, relatedTarget);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n\n    // If this is a touch-enabled device we remove the extra\n    // empty mouseover listeners we added for iOS support\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.off(element, 'mouseover', noop);\n      }\n    }\n    if (this._popper) {\n      this._popper.destroy();\n    }\n    this._menu.classList.remove(CLASS_NAME_SHOW$6);\n    this._element.classList.remove(CLASS_NAME_SHOW$6);\n    this._element.setAttribute('aria-expanded', 'false');\n    Manipulator.removeDataAttribute(this._menu, 'popper');\n    EventHandler.trigger(this._element, EVENT_HIDDEN$5, relatedTarget);\n  }\n  _getConfig(config) {\n    config = super._getConfig(config);\n    if (typeof config.reference === 'object' && !isElement(config.reference) && typeof config.reference.getBoundingClientRect !== 'function') {\n      // Popper virtual elements require a getBoundingClientRect method\n      throw new TypeError(`${NAME$a.toUpperCase()}: Option \"reference\" provided type \"object\" without a required \"getBoundingClientRect\" method.`);\n    }\n    return config;\n  }\n  _createPopper() {\n    if (typeof Popper === 'undefined') {\n      throw new TypeError('Bootstrap\\'s dropdowns require Popper (https://popper.js.org)');\n    }\n    let referenceElement = this._element;\n    if (this._config.reference === 'parent') {\n      referenceElement = this._parent;\n    } else if (isElement(this._config.reference)) {\n      referenceElement = getElement(this._config.reference);\n    } else if (typeof this._config.reference === 'object') {\n      referenceElement = this._config.reference;\n    }\n    const popperConfig = this._getPopperConfig();\n    this._popper = Popper.createPopper(referenceElement, this._menu, popperConfig);\n  }\n  _isShown() {\n    return this._menu.classList.contains(CLASS_NAME_SHOW$6);\n  }\n  _getPlacement() {\n    const parentDropdown = this._parent;\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPEND)) {\n      return PLACEMENT_RIGHT;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPSTART)) {\n      return PLACEMENT_LEFT;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPUP_CENTER)) {\n      return PLACEMENT_TOPCENTER;\n    }\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPDOWN_CENTER)) {\n      return PLACEMENT_BOTTOMCENTER;\n    }\n\n    // We need to trim the value because custom properties can also include spaces\n    const isEnd = getComputedStyle(this._menu).getPropertyValue('--bs-position').trim() === 'end';\n    if (parentDropdown.classList.contains(CLASS_NAME_DROPUP)) {\n      return isEnd ? PLACEMENT_TOPEND : PLACEMENT_TOP;\n    }\n    return isEnd ? PLACEMENT_BOTTOMEND : PLACEMENT_BOTTOM;\n  }\n  _detectNavbar() {\n    return this._element.closest(SELECTOR_NAVBAR) !== null;\n  }\n  _getOffset() {\n    const {\n      offset\n    } = this._config;\n    if (typeof offset === 'string') {\n      return offset.split(',').map(value => Number.parseInt(value, 10));\n    }\n    if (typeof offset === 'function') {\n      return popperData => offset(popperData, this._element);\n    }\n    return offset;\n  }\n  _getPopperConfig() {\n    const defaultBsPopperConfig = {\n      placement: this._getPlacement(),\n      modifiers: [{\n        name: 'preventOverflow',\n        options: {\n          boundary: this._config.boundary\n        }\n      }, {\n        name: 'offset',\n        options: {\n          offset: this._getOffset()\n        }\n      }]\n    };\n\n    // Disable Popper if we have a static display or Dropdown is in Navbar\n    if (this._inNavbar || this._config.display === 'static') {\n      Manipulator.setDataAttribute(this._menu, 'popper', 'static'); // TODO: v6 remove\n      defaultBsPopperConfig.modifiers = [{\n        name: 'applyStyles',\n        enabled: false\n      }];\n    }\n    return {\n      ...defaultBsPopperConfig,\n      ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n    };\n  }\n  _selectMenuItem({\n    key,\n    target\n  }) {\n    const items = SelectorEngine.find(SELECTOR_VISIBLE_ITEMS, this._menu).filter(element => isVisible(element));\n    if (!items.length) {\n      return;\n    }\n\n    // if target isn't included in items (e.g. when expanding the dropdown)\n    // allow cycling to get the last item in case key equals ARROW_UP_KEY\n    getNextActiveElement(items, target, key === ARROW_DOWN_KEY$1, !items.includes(target)).focus();\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Dropdown.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n  static clearMenus(event) {\n    if (event.button === RIGHT_MOUSE_BUTTON || event.type === 'keyup' && event.key !== TAB_KEY$1) {\n      return;\n    }\n    const openToggles = SelectorEngine.find(SELECTOR_DATA_TOGGLE_SHOWN);\n    for (const toggle of openToggles) {\n      const context = Dropdown.getInstance(toggle);\n      if (!context || context._config.autoClose === false) {\n        continue;\n      }\n      const composedPath = event.composedPath();\n      const isMenuTarget = composedPath.includes(context._menu);\n      if (composedPath.includes(context._element) || context._config.autoClose === 'inside' && !isMenuTarget || context._config.autoClose === 'outside' && isMenuTarget) {\n        continue;\n      }\n\n      // Tab navigation through the dropdown menu or events from contained inputs shouldn't close the menu\n      if (context._menu.contains(event.target) && (event.type === 'keyup' && event.key === TAB_KEY$1 || /input|select|option|textarea|form/i.test(event.target.tagName))) {\n        continue;\n      }\n      const relatedTarget = {\n        relatedTarget: context._element\n      };\n      if (event.type === 'click') {\n        relatedTarget.clickEvent = event;\n      }\n      context._completeHide(relatedTarget);\n    }\n  }\n  static dataApiKeydownHandler(event) {\n    // If not an UP | DOWN | ESCAPE key => not a dropdown command\n    // If input/textarea && if key is other than ESCAPE => not a dropdown command\n\n    const isInput = /input|textarea/i.test(event.target.tagName);\n    const isEscapeEvent = event.key === ESCAPE_KEY$2;\n    const isUpOrDownEvent = [ARROW_UP_KEY$1, ARROW_DOWN_KEY$1].includes(event.key);\n    if (!isUpOrDownEvent && !isEscapeEvent) {\n      return;\n    }\n    if (isInput && !isEscapeEvent) {\n      return;\n    }\n    event.preventDefault();\n\n    // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n    const getToggleButton = this.matches(SELECTOR_DATA_TOGGLE$3) ? this : SelectorEngine.prev(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.next(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.findOne(SELECTOR_DATA_TOGGLE$3, event.delegateTarget.parentNode);\n    const instance = Dropdown.getOrCreateInstance(getToggleButton);\n    if (isUpOrDownEvent) {\n      event.stopPropagation();\n      instance.show();\n      instance._selectMenuItem(event);\n      return;\n    }\n    if (instance._isShown()) {\n      // else is escape and we check if it is shown\n      event.stopPropagation();\n      instance.hide();\n      getToggleButton.focus();\n    }\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_DATA_TOGGLE$3, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_MENU, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_KEYUP_DATA_API, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, SELECTOR_DATA_TOGGLE$3, function (event) {\n  event.preventDefault();\n  Dropdown.getOrCreateInstance(this).toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Dropdown);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/backdrop.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$9 = 'backdrop';\nconst CLASS_NAME_FADE$4 = 'fade';\nconst CLASS_NAME_SHOW$5 = 'show';\nconst EVENT_MOUSEDOWN = `mousedown.bs.${NAME$9}`;\nconst Default$8 = {\n  className: 'modal-backdrop',\n  clickCallback: null,\n  isAnimated: false,\n  isVisible: true,\n  // if false, we use the backdrop helper without adding any element to the dom\n  rootElement: 'body' // give the choice to place backdrop under different elements\n};\nconst DefaultType$8 = {\n  className: 'string',\n  clickCallback: '(function|null)',\n  isAnimated: 'boolean',\n  isVisible: 'boolean',\n  rootElement: '(element|string)'\n};\n\n/**\n * Class definition\n */\n\nclass Backdrop extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n    this._isAppended = false;\n    this._element = null;\n  }\n\n  // Getters\n  static get Default() {\n    return Default$8;\n  }\n  static get DefaultType() {\n    return DefaultType$8;\n  }\n  static get NAME() {\n    return NAME$9;\n  }\n\n  // Public\n  show(callback) {\n    if (!this._config.isVisible) {\n      execute(callback);\n      return;\n    }\n    this._append();\n    const element = this._getElement();\n    if (this._config.isAnimated) {\n      reflow(element);\n    }\n    element.classList.add(CLASS_NAME_SHOW$5);\n    this._emulateAnimation(() => {\n      execute(callback);\n    });\n  }\n  hide(callback) {\n    if (!this._config.isVisible) {\n      execute(callback);\n      return;\n    }\n    this._getElement().classList.remove(CLASS_NAME_SHOW$5);\n    this._emulateAnimation(() => {\n      this.dispose();\n      execute(callback);\n    });\n  }\n  dispose() {\n    if (!this._isAppended) {\n      return;\n    }\n    EventHandler.off(this._element, EVENT_MOUSEDOWN);\n    this._element.remove();\n    this._isAppended = false;\n  }\n\n  // Private\n  _getElement() {\n    if (!this._element) {\n      const backdrop = document.createElement('div');\n      backdrop.className = this._config.className;\n      if (this._config.isAnimated) {\n        backdrop.classList.add(CLASS_NAME_FADE$4);\n      }\n      this._element = backdrop;\n    }\n    return this._element;\n  }\n  _configAfterMerge(config) {\n    // use getElement() with the default \"body\" to get a fresh Element on each instantiation\n    config.rootElement = getElement(config.rootElement);\n    return config;\n  }\n  _append() {\n    if (this._isAppended) {\n      return;\n    }\n    const element = this._getElement();\n    this._config.rootElement.append(element);\n    EventHandler.on(element, EVENT_MOUSEDOWN, () => {\n      execute(this._config.clickCallback);\n    });\n    this._isAppended = true;\n  }\n  _emulateAnimation(callback) {\n    executeAfterTransition(callback, this._getElement(), this._config.isAnimated);\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/focustrap.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$8 = 'focustrap';\nconst DATA_KEY$5 = 'bs.focustrap';\nconst EVENT_KEY$5 = `.${DATA_KEY$5}`;\nconst EVENT_FOCUSIN$2 = `focusin${EVENT_KEY$5}`;\nconst EVENT_KEYDOWN_TAB = `keydown.tab${EVENT_KEY$5}`;\nconst TAB_KEY = 'Tab';\nconst TAB_NAV_FORWARD = 'forward';\nconst TAB_NAV_BACKWARD = 'backward';\nconst Default$7 = {\n  autofocus: true,\n  trapElement: null // The element to trap focus inside of\n};\nconst DefaultType$7 = {\n  autofocus: 'boolean',\n  trapElement: 'element'\n};\n\n/**\n * Class definition\n */\n\nclass FocusTrap extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n    this._isActive = false;\n    this._lastTabNavDirection = null;\n  }\n\n  // Getters\n  static get Default() {\n    return Default$7;\n  }\n  static get DefaultType() {\n    return DefaultType$7;\n  }\n  static get NAME() {\n    return NAME$8;\n  }\n\n  // Public\n  activate() {\n    if (this._isActive) {\n      return;\n    }\n    if (this._config.autofocus) {\n      this._config.trapElement.focus();\n    }\n    EventHandler.off(document, EVENT_KEY$5); // guard against infinite focus loop\n    EventHandler.on(document, EVENT_FOCUSIN$2, event => this._handleFocusin(event));\n    EventHandler.on(document, EVENT_KEYDOWN_TAB, event => this._handleKeydown(event));\n    this._isActive = true;\n  }\n  deactivate() {\n    if (!this._isActive) {\n      return;\n    }\n    this._isActive = false;\n    EventHandler.off(document, EVENT_KEY$5);\n  }\n\n  // Private\n  _handleFocusin(event) {\n    const {\n      trapElement\n    } = this._config;\n    if (event.target === document || event.target === trapElement || trapElement.contains(event.target)) {\n      return;\n    }\n    const elements = SelectorEngine.focusableChildren(trapElement);\n    if (elements.length === 0) {\n      trapElement.focus();\n    } else if (this._lastTabNavDirection === TAB_NAV_BACKWARD) {\n      elements[elements.length - 1].focus();\n    } else {\n      elements[0].focus();\n    }\n  }\n  _handleKeydown(event) {\n    if (event.key !== TAB_KEY) {\n      return;\n    }\n    this._lastTabNavDirection = event.shiftKey ? TAB_NAV_BACKWARD : TAB_NAV_FORWARD;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/scrollBar.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst SELECTOR_FIXED_CONTENT = '.fixed-top, .fixed-bottom, .is-fixed, .sticky-top';\nconst SELECTOR_STICKY_CONTENT = '.sticky-top';\nconst PROPERTY_PADDING = 'padding-right';\nconst PROPERTY_MARGIN = 'margin-right';\n\n/**\n * Class definition\n */\n\nclass ScrollBarHelper {\n  constructor() {\n    this._element = document.body;\n  }\n\n  // Public\n  getWidth() {\n    // https://developer.mozilla.org/en-US/docs/Web/API/Window/innerWidth#usage_notes\n    const documentWidth = document.documentElement.clientWidth;\n    return Math.abs(window.innerWidth - documentWidth);\n  }\n  hide() {\n    const width = this.getWidth();\n    this._disableOverFlow();\n    // give padding to element to balance the hidden scrollbar width\n    this._setElementAttributes(this._element, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n    // trick: We adjust positive paddingRight and negative marginRight to sticky-top elements to keep showing fullwidth\n    this._setElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n    this._setElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN, calculatedValue => calculatedValue - width);\n  }\n  reset() {\n    this._resetElementAttributes(this._element, 'overflow');\n    this._resetElementAttributes(this._element, PROPERTY_PADDING);\n    this._resetElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING);\n    this._resetElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN);\n  }\n  isOverflowing() {\n    return this.getWidth() > 0;\n  }\n\n  // Private\n  _disableOverFlow() {\n    this._saveInitialAttribute(this._element, 'overflow');\n    this._element.style.overflow = 'hidden';\n  }\n  _setElementAttributes(selector, styleProperty, callback) {\n    const scrollbarWidth = this.getWidth();\n    const manipulationCallBack = element => {\n      if (element !== this._element && window.innerWidth > element.clientWidth + scrollbarWidth) {\n        return;\n      }\n      this._saveInitialAttribute(element, styleProperty);\n      const calculatedValue = window.getComputedStyle(element).getPropertyValue(styleProperty);\n      element.style.setProperty(styleProperty, `${callback(Number.parseFloat(calculatedValue))}px`);\n    };\n    this._applyManipulationCallback(selector, manipulationCallBack);\n  }\n  _saveInitialAttribute(element, styleProperty) {\n    const actualValue = element.style.getPropertyValue(styleProperty);\n    if (actualValue) {\n      Manipulator.setDataAttribute(element, styleProperty, actualValue);\n    }\n  }\n  _resetElementAttributes(selector, styleProperty) {\n    const manipulationCallBack = element => {\n      const value = Manipulator.getDataAttribute(element, styleProperty);\n      // We only want to remove the property if the value is `null`; the value can also be zero\n      if (value === null) {\n        element.style.removeProperty(styleProperty);\n        return;\n      }\n      Manipulator.removeDataAttribute(element, styleProperty);\n      element.style.setProperty(styleProperty, value);\n    };\n    this._applyManipulationCallback(selector, manipulationCallBack);\n  }\n  _applyManipulationCallback(selector, callBack) {\n    if (isElement(selector)) {\n      callBack(selector);\n      return;\n    }\n    for (const sel of SelectorEngine.find(selector, this._element)) {\n      callBack(sel);\n    }\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap modal.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$7 = 'modal';\nconst DATA_KEY$4 = 'bs.modal';\nconst EVENT_KEY$4 = `.${DATA_KEY$4}`;\nconst DATA_API_KEY$2 = '.data-api';\nconst ESCAPE_KEY$1 = 'Escape';\nconst EVENT_HIDE$4 = `hide${EVENT_KEY$4}`;\nconst EVENT_HIDE_PREVENTED$1 = `hidePrevented${EVENT_KEY$4}`;\nconst EVENT_HIDDEN$4 = `hidden${EVENT_KEY$4}`;\nconst EVENT_SHOW$4 = `show${EVENT_KEY$4}`;\nconst EVENT_SHOWN$4 = `shown${EVENT_KEY$4}`;\nconst EVENT_RESIZE$1 = `resize${EVENT_KEY$4}`;\nconst EVENT_CLICK_DISMISS = `click.dismiss${EVENT_KEY$4}`;\nconst EVENT_MOUSEDOWN_DISMISS = `mousedown.dismiss${EVENT_KEY$4}`;\nconst EVENT_KEYDOWN_DISMISS$1 = `keydown.dismiss${EVENT_KEY$4}`;\nconst EVENT_CLICK_DATA_API$2 = `click${EVENT_KEY$4}${DATA_API_KEY$2}`;\nconst CLASS_NAME_OPEN = 'modal-open';\nconst CLASS_NAME_FADE$3 = 'fade';\nconst CLASS_NAME_SHOW$4 = 'show';\nconst CLASS_NAME_STATIC = 'modal-static';\nconst OPEN_SELECTOR$1 = '.modal.show';\nconst SELECTOR_DIALOG = '.modal-dialog';\nconst SELECTOR_MODAL_BODY = '.modal-body';\nconst SELECTOR_DATA_TOGGLE$2 = '[data-bs-toggle=\"modal\"]';\nconst Default$6 = {\n  backdrop: true,\n  focus: true,\n  keyboard: true\n};\nconst DefaultType$6 = {\n  backdrop: '(boolean|string)',\n  focus: 'boolean',\n  keyboard: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Modal extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._dialog = SelectorEngine.findOne(SELECTOR_DIALOG, this._element);\n    this._backdrop = this._initializeBackDrop();\n    this._focustrap = this._initializeFocusTrap();\n    this._isShown = false;\n    this._isTransitioning = false;\n    this._scrollBar = new ScrollBarHelper();\n    this._addEventListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$6;\n  }\n  static get DefaultType() {\n    return DefaultType$6;\n  }\n  static get NAME() {\n    return NAME$7;\n  }\n\n  // Public\n  toggle(relatedTarget) {\n    return this._isShown ? this.hide() : this.show(relatedTarget);\n  }\n  show(relatedTarget) {\n    if (this._isShown || this._isTransitioning) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$4, {\n      relatedTarget\n    });\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = true;\n    this._isTransitioning = true;\n    this._scrollBar.hide();\n    document.body.classList.add(CLASS_NAME_OPEN);\n    this._adjustDialog();\n    this._backdrop.show(() => this._showElement(relatedTarget));\n  }\n  hide() {\n    if (!this._isShown || this._isTransitioning) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$4);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = false;\n    this._isTransitioning = true;\n    this._focustrap.deactivate();\n    this._element.classList.remove(CLASS_NAME_SHOW$4);\n    this._queueCallback(() => this._hideModal(), this._element, this._isAnimated());\n  }\n  dispose() {\n    EventHandler.off(window, EVENT_KEY$4);\n    EventHandler.off(this._dialog, EVENT_KEY$4);\n    this._backdrop.dispose();\n    this._focustrap.deactivate();\n    super.dispose();\n  }\n  handleUpdate() {\n    this._adjustDialog();\n  }\n\n  // Private\n  _initializeBackDrop() {\n    return new Backdrop({\n      isVisible: Boolean(this._config.backdrop),\n      // 'static' option will be translated to true, and booleans will keep their value,\n      isAnimated: this._isAnimated()\n    });\n  }\n  _initializeFocusTrap() {\n    return new FocusTrap({\n      trapElement: this._element\n    });\n  }\n  _showElement(relatedTarget) {\n    // try to append dynamic modal\n    if (!document.body.contains(this._element)) {\n      document.body.append(this._element);\n    }\n    this._element.style.display = 'block';\n    this._element.removeAttribute('aria-hidden');\n    this._element.setAttribute('aria-modal', true);\n    this._element.setAttribute('role', 'dialog');\n    this._element.scrollTop = 0;\n    const modalBody = SelectorEngine.findOne(SELECTOR_MODAL_BODY, this._dialog);\n    if (modalBody) {\n      modalBody.scrollTop = 0;\n    }\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_SHOW$4);\n    const transitionComplete = () => {\n      if (this._config.focus) {\n        this._focustrap.activate();\n      }\n      this._isTransitioning = false;\n      EventHandler.trigger(this._element, EVENT_SHOWN$4, {\n        relatedTarget\n      });\n    };\n    this._queueCallback(transitionComplete, this._dialog, this._isAnimated());\n  }\n  _addEventListeners() {\n    EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS$1, event => {\n      if (event.key !== ESCAPE_KEY$1) {\n        return;\n      }\n      if (this._config.keyboard) {\n        this.hide();\n        return;\n      }\n      this._triggerBackdropTransition();\n    });\n    EventHandler.on(window, EVENT_RESIZE$1, () => {\n      if (this._isShown && !this._isTransitioning) {\n        this._adjustDialog();\n      }\n    });\n    EventHandler.on(this._element, EVENT_MOUSEDOWN_DISMISS, event => {\n      // a bad trick to segregate clicks that may start inside dialog but end outside, and avoid listen to scrollbar clicks\n      EventHandler.one(this._element, EVENT_CLICK_DISMISS, event2 => {\n        if (this._element !== event.target || this._element !== event2.target) {\n          return;\n        }\n        if (this._config.backdrop === 'static') {\n          this._triggerBackdropTransition();\n          return;\n        }\n        if (this._config.backdrop) {\n          this.hide();\n        }\n      });\n    });\n  }\n  _hideModal() {\n    this._element.style.display = 'none';\n    this._element.setAttribute('aria-hidden', true);\n    this._element.removeAttribute('aria-modal');\n    this._element.removeAttribute('role');\n    this._isTransitioning = false;\n    this._backdrop.hide(() => {\n      document.body.classList.remove(CLASS_NAME_OPEN);\n      this._resetAdjustments();\n      this._scrollBar.reset();\n      EventHandler.trigger(this._element, EVENT_HIDDEN$4);\n    });\n  }\n  _isAnimated() {\n    return this._element.classList.contains(CLASS_NAME_FADE$3);\n  }\n  _triggerBackdropTransition() {\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED$1);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n    const initialOverflowY = this._element.style.overflowY;\n    // return if the following background transition hasn't yet completed\n    if (initialOverflowY === 'hidden' || this._element.classList.contains(CLASS_NAME_STATIC)) {\n      return;\n    }\n    if (!isModalOverflowing) {\n      this._element.style.overflowY = 'hidden';\n    }\n    this._element.classList.add(CLASS_NAME_STATIC);\n    this._queueCallback(() => {\n      this._element.classList.remove(CLASS_NAME_STATIC);\n      this._queueCallback(() => {\n        this._element.style.overflowY = initialOverflowY;\n      }, this._dialog);\n    }, this._dialog);\n    this._element.focus();\n  }\n\n  /**\n   * The following methods are used to handle overflowing modals\n   */\n\n  _adjustDialog() {\n    const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n    const scrollbarWidth = this._scrollBar.getWidth();\n    const isBodyOverflowing = scrollbarWidth > 0;\n    if (isBodyOverflowing && !isModalOverflowing) {\n      const property = isRTL() ? 'paddingLeft' : 'paddingRight';\n      this._element.style[property] = `${scrollbarWidth}px`;\n    }\n    if (!isBodyOverflowing && isModalOverflowing) {\n      const property = isRTL() ? 'paddingRight' : 'paddingLeft';\n      this._element.style[property] = `${scrollbarWidth}px`;\n    }\n  }\n  _resetAdjustments() {\n    this._element.style.paddingLeft = '';\n    this._element.style.paddingRight = '';\n  }\n\n  // Static\n  static jQueryInterface(config, relatedTarget) {\n    return this.each(function () {\n      const data = Modal.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](relatedTarget);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$2, SELECTOR_DATA_TOGGLE$2, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  EventHandler.one(target, EVENT_SHOW$4, showEvent => {\n    if (showEvent.defaultPrevented) {\n      // only register focus restorer if modal will actually get shown\n      return;\n    }\n    EventHandler.one(target, EVENT_HIDDEN$4, () => {\n      if (isVisible(this)) {\n        this.focus();\n      }\n    });\n  });\n\n  // avoid conflict when clicking modal toggler while another one is open\n  const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR$1);\n  if (alreadyOpen) {\n    Modal.getInstance(alreadyOpen).hide();\n  }\n  const data = Modal.getOrCreateInstance(target);\n  data.toggle(this);\n});\nenableDismissTrigger(Modal);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Modal);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap offcanvas.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$6 = 'offcanvas';\nconst DATA_KEY$3 = 'bs.offcanvas';\nconst EVENT_KEY$3 = `.${DATA_KEY$3}`;\nconst DATA_API_KEY$1 = '.data-api';\nconst EVENT_LOAD_DATA_API$2 = `load${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst ESCAPE_KEY = 'Escape';\nconst CLASS_NAME_SHOW$3 = 'show';\nconst CLASS_NAME_SHOWING$1 = 'showing';\nconst CLASS_NAME_HIDING = 'hiding';\nconst CLASS_NAME_BACKDROP = 'offcanvas-backdrop';\nconst OPEN_SELECTOR = '.offcanvas.show';\nconst EVENT_SHOW$3 = `show${EVENT_KEY$3}`;\nconst EVENT_SHOWN$3 = `shown${EVENT_KEY$3}`;\nconst EVENT_HIDE$3 = `hide${EVENT_KEY$3}`;\nconst EVENT_HIDE_PREVENTED = `hidePrevented${EVENT_KEY$3}`;\nconst EVENT_HIDDEN$3 = `hidden${EVENT_KEY$3}`;\nconst EVENT_RESIZE = `resize${EVENT_KEY$3}`;\nconst EVENT_CLICK_DATA_API$1 = `click${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst EVENT_KEYDOWN_DISMISS = `keydown.dismiss${EVENT_KEY$3}`;\nconst SELECTOR_DATA_TOGGLE$1 = '[data-bs-toggle=\"offcanvas\"]';\nconst Default$5 = {\n  backdrop: true,\n  keyboard: true,\n  scroll: false\n};\nconst DefaultType$5 = {\n  backdrop: '(boolean|string)',\n  keyboard: 'boolean',\n  scroll: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Offcanvas extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._isShown = false;\n    this._backdrop = this._initializeBackDrop();\n    this._focustrap = this._initializeFocusTrap();\n    this._addEventListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default$5;\n  }\n  static get DefaultType() {\n    return DefaultType$5;\n  }\n  static get NAME() {\n    return NAME$6;\n  }\n\n  // Public\n  toggle(relatedTarget) {\n    return this._isShown ? this.hide() : this.show(relatedTarget);\n  }\n  show(relatedTarget) {\n    if (this._isShown) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$3, {\n      relatedTarget\n    });\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._isShown = true;\n    this._backdrop.show();\n    if (!this._config.scroll) {\n      new ScrollBarHelper().hide();\n    }\n    this._element.setAttribute('aria-modal', true);\n    this._element.setAttribute('role', 'dialog');\n    this._element.classList.add(CLASS_NAME_SHOWING$1);\n    const completeCallBack = () => {\n      if (!this._config.scroll || this._config.backdrop) {\n        this._focustrap.activate();\n      }\n      this._element.classList.add(CLASS_NAME_SHOW$3);\n      this._element.classList.remove(CLASS_NAME_SHOWING$1);\n      EventHandler.trigger(this._element, EVENT_SHOWN$3, {\n        relatedTarget\n      });\n    };\n    this._queueCallback(completeCallBack, this._element, true);\n  }\n  hide() {\n    if (!this._isShown) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$3);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    this._focustrap.deactivate();\n    this._element.blur();\n    this._isShown = false;\n    this._element.classList.add(CLASS_NAME_HIDING);\n    this._backdrop.hide();\n    const completeCallback = () => {\n      this._element.classList.remove(CLASS_NAME_SHOW$3, CLASS_NAME_HIDING);\n      this._element.removeAttribute('aria-modal');\n      this._element.removeAttribute('role');\n      if (!this._config.scroll) {\n        new ScrollBarHelper().reset();\n      }\n      EventHandler.trigger(this._element, EVENT_HIDDEN$3);\n    };\n    this._queueCallback(completeCallback, this._element, true);\n  }\n  dispose() {\n    this._backdrop.dispose();\n    this._focustrap.deactivate();\n    super.dispose();\n  }\n\n  // Private\n  _initializeBackDrop() {\n    const clickCallback = () => {\n      if (this._config.backdrop === 'static') {\n        EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n        return;\n      }\n      this.hide();\n    };\n\n    // 'static' option will be translated to true, and booleans will keep their value\n    const isVisible = Boolean(this._config.backdrop);\n    return new Backdrop({\n      className: CLASS_NAME_BACKDROP,\n      isVisible,\n      isAnimated: true,\n      rootElement: this._element.parentNode,\n      clickCallback: isVisible ? clickCallback : null\n    });\n  }\n  _initializeFocusTrap() {\n    return new FocusTrap({\n      trapElement: this._element\n    });\n  }\n  _addEventListeners() {\n    EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS, event => {\n      if (event.key !== ESCAPE_KEY) {\n        return;\n      }\n      if (this._config.keyboard) {\n        this.hide();\n        return;\n      }\n      EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n    });\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Offcanvas.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config](this);\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$1, SELECTOR_DATA_TOGGLE$1, function (event) {\n  const target = SelectorEngine.getElementFromSelector(this);\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  if (isDisabled(this)) {\n    return;\n  }\n  EventHandler.one(target, EVENT_HIDDEN$3, () => {\n    // focus on trigger when it is closed\n    if (isVisible(this)) {\n      this.focus();\n    }\n  });\n\n  // avoid conflict when clicking a toggler of an offcanvas, while another is open\n  const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR);\n  if (alreadyOpen && alreadyOpen !== target) {\n    Offcanvas.getInstance(alreadyOpen).hide();\n  }\n  const data = Offcanvas.getOrCreateInstance(target);\n  data.toggle(this);\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$2, () => {\n  for (const selector of SelectorEngine.find(OPEN_SELECTOR)) {\n    Offcanvas.getOrCreateInstance(selector).show();\n  }\n});\nEventHandler.on(window, EVENT_RESIZE, () => {\n  for (const element of SelectorEngine.find('[aria-modal][class*=show][class*=offcanvas-]')) {\n    if (getComputedStyle(element).position !== 'fixed') {\n      Offcanvas.getOrCreateInstance(element).hide();\n    }\n  }\n});\nenableDismissTrigger(Offcanvas);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Offcanvas);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/sanitizer.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n// js-docs-start allow-list\nconst ARIA_ATTRIBUTE_PATTERN = /^aria-[\\w-]*$/i;\nconst DefaultAllowlist = {\n  // Global attributes allowed on any supplied element below.\n  '*': ['class', 'dir', 'id', 'lang', 'role', ARIA_ATTRIBUTE_PATTERN],\n  a: ['target', 'href', 'title', 'rel'],\n  area: [],\n  b: [],\n  br: [],\n  col: [],\n  code: [],\n  dd: [],\n  div: [],\n  dl: [],\n  dt: [],\n  em: [],\n  hr: [],\n  h1: [],\n  h2: [],\n  h3: [],\n  h4: [],\n  h5: [],\n  h6: [],\n  i: [],\n  img: ['src', 'srcset', 'alt', 'title', 'width', 'height'],\n  li: [],\n  ol: [],\n  p: [],\n  pre: [],\n  s: [],\n  small: [],\n  span: [],\n  sub: [],\n  sup: [],\n  strong: [],\n  u: [],\n  ul: []\n};\n// js-docs-end allow-list\n\nconst uriAttributes = new Set(['background', 'cite', 'href', 'itemtype', 'longdesc', 'poster', 'src', 'xlink:href']);\n\n/**\n * A pattern that recognizes URLs that are safe wrt. XSS in URL navigation\n * contexts.\n *\n * Shout-out to Angular https://github.com/angular/angular/blob/15.2.8/packages/core/src/sanitization/url_sanitizer.ts#L38\n */\n// eslint-disable-next-line unicorn/better-regex\nconst SAFE_URL_PATTERN = /^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i;\nconst allowedAttribute = (attribute, allowedAttributeList) => {\n  const attributeName = attribute.nodeName.toLowerCase();\n  if (allowedAttributeList.includes(attributeName)) {\n    if (uriAttributes.has(attributeName)) {\n      return Boolean(SAFE_URL_PATTERN.test(attribute.nodeValue));\n    }\n    return true;\n  }\n\n  // Check if a regular expression validates the attribute.\n  return allowedAttributeList.filter(attributeRegex => attributeRegex instanceof RegExp).some(regex => regex.test(attributeName));\n};\nfunction sanitizeHtml(unsafeHtml, allowList, sanitizeFunction) {\n  if (!unsafeHtml.length) {\n    return unsafeHtml;\n  }\n  if (sanitizeFunction && typeof sanitizeFunction === 'function') {\n    return sanitizeFunction(unsafeHtml);\n  }\n  const domParser = new window.DOMParser();\n  const createdDocument = domParser.parseFromString(unsafeHtml, 'text/html');\n  const elements = [].concat(...createdDocument.body.querySelectorAll('*'));\n  for (const element of elements) {\n    const elementName = element.nodeName.toLowerCase();\n    if (!Object.keys(allowList).includes(elementName)) {\n      element.remove();\n      continue;\n    }\n    const attributeList = [].concat(...element.attributes);\n    const allowedAttributes = [].concat(allowList['*'] || [], allowList[elementName] || []);\n    for (const attribute of attributeList) {\n      if (!allowedAttribute(attribute, allowedAttributes)) {\n        element.removeAttribute(attribute.nodeName);\n      }\n    }\n  }\n  return createdDocument.body.innerHTML;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/template-factory.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$5 = 'TemplateFactory';\nconst Default$4 = {\n  allowList: DefaultAllowlist,\n  content: {},\n  // { selector : text ,  selector2 : text2 , }\n  extraClass: '',\n  html: false,\n  sanitize: true,\n  sanitizeFn: null,\n  template: '<div></div>'\n};\nconst DefaultType$4 = {\n  allowList: 'object',\n  content: 'object',\n  extraClass: '(string|function)',\n  html: 'boolean',\n  sanitize: 'boolean',\n  sanitizeFn: '(null|function)',\n  template: 'string'\n};\nconst DefaultContentType = {\n  entry: '(string|element|function|null)',\n  selector: '(string|element)'\n};\n\n/**\n * Class definition\n */\n\nclass TemplateFactory extends Config {\n  constructor(config) {\n    super();\n    this._config = this._getConfig(config);\n  }\n\n  // Getters\n  static get Default() {\n    return Default$4;\n  }\n  static get DefaultType() {\n    return DefaultType$4;\n  }\n  static get NAME() {\n    return NAME$5;\n  }\n\n  // Public\n  getContent() {\n    return Object.values(this._config.content).map(config => this._resolvePossibleFunction(config)).filter(Boolean);\n  }\n  hasContent() {\n    return this.getContent().length > 0;\n  }\n  changeContent(content) {\n    this._checkContent(content);\n    this._config.content = {\n      ...this._config.content,\n      ...content\n    };\n    return this;\n  }\n  toHtml() {\n    const templateWrapper = document.createElement('div');\n    templateWrapper.innerHTML = this._maybeSanitize(this._config.template);\n    for (const [selector, text] of Object.entries(this._config.content)) {\n      this._setContent(templateWrapper, text, selector);\n    }\n    const template = templateWrapper.children[0];\n    const extraClass = this._resolvePossibleFunction(this._config.extraClass);\n    if (extraClass) {\n      template.classList.add(...extraClass.split(' '));\n    }\n    return template;\n  }\n\n  // Private\n  _typeCheckConfig(config) {\n    super._typeCheckConfig(config);\n    this._checkContent(config.content);\n  }\n  _checkContent(arg) {\n    for (const [selector, content] of Object.entries(arg)) {\n      super._typeCheckConfig({\n        selector,\n        entry: content\n      }, DefaultContentType);\n    }\n  }\n  _setContent(template, content, selector) {\n    const templateElement = SelectorEngine.findOne(selector, template);\n    if (!templateElement) {\n      return;\n    }\n    content = this._resolvePossibleFunction(content);\n    if (!content) {\n      templateElement.remove();\n      return;\n    }\n    if (isElement(content)) {\n      this._putElementInTemplate(getElement(content), templateElement);\n      return;\n    }\n    if (this._config.html) {\n      templateElement.innerHTML = this._maybeSanitize(content);\n      return;\n    }\n    templateElement.textContent = content;\n  }\n  _maybeSanitize(arg) {\n    return this._config.sanitize ? sanitizeHtml(arg, this._config.allowList, this._config.sanitizeFn) : arg;\n  }\n  _resolvePossibleFunction(arg) {\n    return execute(arg, [this]);\n  }\n  _putElementInTemplate(element, templateElement) {\n    if (this._config.html) {\n      templateElement.innerHTML = '';\n      templateElement.append(element);\n      return;\n    }\n    templateElement.textContent = element.textContent;\n  }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap tooltip.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$4 = 'tooltip';\nconst DISALLOWED_ATTRIBUTES = new Set(['sanitize', 'allowList', 'sanitizeFn']);\nconst CLASS_NAME_FADE$2 = 'fade';\nconst CLASS_NAME_MODAL = 'modal';\nconst CLASS_NAME_SHOW$2 = 'show';\nconst SELECTOR_TOOLTIP_INNER = '.tooltip-inner';\nconst SELECTOR_MODAL = `.${CLASS_NAME_MODAL}`;\nconst EVENT_MODAL_HIDE = 'hide.bs.modal';\nconst TRIGGER_HOVER = 'hover';\nconst TRIGGER_FOCUS = 'focus';\nconst TRIGGER_CLICK = 'click';\nconst TRIGGER_MANUAL = 'manual';\nconst EVENT_HIDE$2 = 'hide';\nconst EVENT_HIDDEN$2 = 'hidden';\nconst EVENT_SHOW$2 = 'show';\nconst EVENT_SHOWN$2 = 'shown';\nconst EVENT_INSERTED = 'inserted';\nconst EVENT_CLICK$1 = 'click';\nconst EVENT_FOCUSIN$1 = 'focusin';\nconst EVENT_FOCUSOUT$1 = 'focusout';\nconst EVENT_MOUSEENTER = 'mouseenter';\nconst EVENT_MOUSELEAVE = 'mouseleave';\nconst AttachmentMap = {\n  AUTO: 'auto',\n  TOP: 'top',\n  RIGHT: isRTL() ? 'left' : 'right',\n  BOTTOM: 'bottom',\n  LEFT: isRTL() ? 'right' : 'left'\n};\nconst Default$3 = {\n  allowList: DefaultAllowlist,\n  animation: true,\n  boundary: 'clippingParents',\n  container: false,\n  customClass: '',\n  delay: 0,\n  fallbackPlacements: ['top', 'right', 'bottom', 'left'],\n  html: false,\n  offset: [0, 6],\n  placement: 'top',\n  popperConfig: null,\n  sanitize: true,\n  sanitizeFn: null,\n  selector: false,\n  template: '<div class=\"tooltip\" role=\"tooltip\">' + '<div class=\"tooltip-arrow\"></div>' + '<div class=\"tooltip-inner\"></div>' + '</div>',\n  title: '',\n  trigger: 'hover focus'\n};\nconst DefaultType$3 = {\n  allowList: 'object',\n  animation: 'boolean',\n  boundary: '(string|element)',\n  container: '(string|element|boolean)',\n  customClass: '(string|function)',\n  delay: '(number|object)',\n  fallbackPlacements: 'array',\n  html: 'boolean',\n  offset: '(array|string|function)',\n  placement: '(string|function)',\n  popperConfig: '(null|object|function)',\n  sanitize: 'boolean',\n  sanitizeFn: '(null|function)',\n  selector: '(string|boolean)',\n  template: 'string',\n  title: '(string|element|function)',\n  trigger: 'string'\n};\n\n/**\n * Class definition\n */\n\nclass Tooltip extends BaseComponent {\n  constructor(element, config) {\n    if (typeof Popper === 'undefined') {\n      throw new TypeError('Bootstrap\\'s tooltips require Popper (https://popper.js.org)');\n    }\n    super(element, config);\n\n    // Private\n    this._isEnabled = true;\n    this._timeout = 0;\n    this._isHovered = null;\n    this._activeTrigger = {};\n    this._popper = null;\n    this._templateFactory = null;\n    this._newContent = null;\n\n    // Protected\n    this.tip = null;\n    this._setListeners();\n    if (!this._config.selector) {\n      this._fixTitle();\n    }\n  }\n\n  // Getters\n  static get Default() {\n    return Default$3;\n  }\n  static get DefaultType() {\n    return DefaultType$3;\n  }\n  static get NAME() {\n    return NAME$4;\n  }\n\n  // Public\n  enable() {\n    this._isEnabled = true;\n  }\n  disable() {\n    this._isEnabled = false;\n  }\n  toggleEnabled() {\n    this._isEnabled = !this._isEnabled;\n  }\n  toggle() {\n    if (!this._isEnabled) {\n      return;\n    }\n    this._activeTrigger.click = !this._activeTrigger.click;\n    if (this._isShown()) {\n      this._leave();\n      return;\n    }\n    this._enter();\n  }\n  dispose() {\n    clearTimeout(this._timeout);\n    EventHandler.off(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n    if (this._element.getAttribute('data-bs-original-title')) {\n      this._element.setAttribute('title', this._element.getAttribute('data-bs-original-title'));\n    }\n    this._disposePopper();\n    super.dispose();\n  }\n  show() {\n    if (this._element.style.display === 'none') {\n      throw new Error('Please use show on visible elements');\n    }\n    if (!(this._isWithContent() && this._isEnabled)) {\n      return;\n    }\n    const showEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOW$2));\n    const shadowRoot = findShadowRoot(this._element);\n    const isInTheDom = (shadowRoot || this._element.ownerDocument.documentElement).contains(this._element);\n    if (showEvent.defaultPrevented || !isInTheDom) {\n      return;\n    }\n\n    // TODO: v6 remove this or make it optional\n    this._disposePopper();\n    const tip = this._getTipElement();\n    this._element.setAttribute('aria-describedby', tip.getAttribute('id'));\n    const {\n      container\n    } = this._config;\n    if (!this._element.ownerDocument.documentElement.contains(this.tip)) {\n      container.append(tip);\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_INSERTED));\n    }\n    this._popper = this._createPopper(tip);\n    tip.classList.add(CLASS_NAME_SHOW$2);\n\n    // If this is a touch-enabled device we add extra\n    // empty mouseover listeners to the body's immediate children;\n    // only needed because of broken event delegation on iOS\n    // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.on(element, 'mouseover', noop);\n      }\n    }\n    const complete = () => {\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOWN$2));\n      if (this._isHovered === false) {\n        this._leave();\n      }\n      this._isHovered = false;\n    };\n    this._queueCallback(complete, this.tip, this._isAnimated());\n  }\n  hide() {\n    if (!this._isShown()) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDE$2));\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const tip = this._getTipElement();\n    tip.classList.remove(CLASS_NAME_SHOW$2);\n\n    // If this is a touch-enabled device we remove the extra\n    // empty mouseover listeners we added for iOS support\n    if ('ontouchstart' in document.documentElement) {\n      for (const element of [].concat(...document.body.children)) {\n        EventHandler.off(element, 'mouseover', noop);\n      }\n    }\n    this._activeTrigger[TRIGGER_CLICK] = false;\n    this._activeTrigger[TRIGGER_FOCUS] = false;\n    this._activeTrigger[TRIGGER_HOVER] = false;\n    this._isHovered = null; // it is a trick to support manual triggering\n\n    const complete = () => {\n      if (this._isWithActiveTrigger()) {\n        return;\n      }\n      if (!this._isHovered) {\n        this._disposePopper();\n      }\n      this._element.removeAttribute('aria-describedby');\n      EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDDEN$2));\n    };\n    this._queueCallback(complete, this.tip, this._isAnimated());\n  }\n  update() {\n    if (this._popper) {\n      this._popper.update();\n    }\n  }\n\n  // Protected\n  _isWithContent() {\n    return Boolean(this._getTitle());\n  }\n  _getTipElement() {\n    if (!this.tip) {\n      this.tip = this._createTipElement(this._newContent || this._getContentForTemplate());\n    }\n    return this.tip;\n  }\n  _createTipElement(content) {\n    const tip = this._getTemplateFactory(content).toHtml();\n\n    // TODO: remove this check in v6\n    if (!tip) {\n      return null;\n    }\n    tip.classList.remove(CLASS_NAME_FADE$2, CLASS_NAME_SHOW$2);\n    // TODO: v6 the following can be achieved with CSS only\n    tip.classList.add(`bs-${this.constructor.NAME}-auto`);\n    const tipId = getUID(this.constructor.NAME).toString();\n    tip.setAttribute('id', tipId);\n    if (this._isAnimated()) {\n      tip.classList.add(CLASS_NAME_FADE$2);\n    }\n    return tip;\n  }\n  setContent(content) {\n    this._newContent = content;\n    if (this._isShown()) {\n      this._disposePopper();\n      this.show();\n    }\n  }\n  _getTemplateFactory(content) {\n    if (this._templateFactory) {\n      this._templateFactory.changeContent(content);\n    } else {\n      this._templateFactory = new TemplateFactory({\n        ...this._config,\n        // the `content` var has to be after `this._config`\n        // to override config.content in case of popover\n        content,\n        extraClass: this._resolvePossibleFunction(this._config.customClass)\n      });\n    }\n    return this._templateFactory;\n  }\n  _getContentForTemplate() {\n    return {\n      [SELECTOR_TOOLTIP_INNER]: this._getTitle()\n    };\n  }\n  _getTitle() {\n    return this._resolvePossibleFunction(this._config.title) || this._element.getAttribute('data-bs-original-title');\n  }\n\n  // Private\n  _initializeOnDelegatedTarget(event) {\n    return this.constructor.getOrCreateInstance(event.delegateTarget, this._getDelegateConfig());\n  }\n  _isAnimated() {\n    return this._config.animation || this.tip && this.tip.classList.contains(CLASS_NAME_FADE$2);\n  }\n  _isShown() {\n    return this.tip && this.tip.classList.contains(CLASS_NAME_SHOW$2);\n  }\n  _createPopper(tip) {\n    const placement = execute(this._config.placement, [this, tip, this._element]);\n    const attachment = AttachmentMap[placement.toUpperCase()];\n    return Popper.createPopper(this._element, tip, this._getPopperConfig(attachment));\n  }\n  _getOffset() {\n    const {\n      offset\n    } = this._config;\n    if (typeof offset === 'string') {\n      return offset.split(',').map(value => Number.parseInt(value, 10));\n    }\n    if (typeof offset === 'function') {\n      return popperData => offset(popperData, this._element);\n    }\n    return offset;\n  }\n  _resolvePossibleFunction(arg) {\n    return execute(arg, [this._element]);\n  }\n  _getPopperConfig(attachment) {\n    const defaultBsPopperConfig = {\n      placement: attachment,\n      modifiers: [{\n        name: 'flip',\n        options: {\n          fallbackPlacements: this._config.fallbackPlacements\n        }\n      }, {\n        name: 'offset',\n        options: {\n          offset: this._getOffset()\n        }\n      }, {\n        name: 'preventOverflow',\n        options: {\n          boundary: this._config.boundary\n        }\n      }, {\n        name: 'arrow',\n        options: {\n          element: `.${this.constructor.NAME}-arrow`\n        }\n      }, {\n        name: 'preSetPlacement',\n        enabled: true,\n        phase: 'beforeMain',\n        fn: data => {\n          // Pre-set Popper's placement attribute in order to read the arrow sizes properly.\n          // Otherwise, Popper mixes up the width and height dimensions since the initial arrow style is for top placement\n          this._getTipElement().setAttribute('data-popper-placement', data.state.placement);\n        }\n      }]\n    };\n    return {\n      ...defaultBsPopperConfig,\n      ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n    };\n  }\n  _setListeners() {\n    const triggers = this._config.trigger.split(' ');\n    for (const trigger of triggers) {\n      if (trigger === 'click') {\n        EventHandler.on(this._element, this.constructor.eventName(EVENT_CLICK$1), this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context.toggle();\n        });\n      } else if (trigger !== TRIGGER_MANUAL) {\n        const eventIn = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSEENTER) : this.constructor.eventName(EVENT_FOCUSIN$1);\n        const eventOut = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSELEAVE) : this.constructor.eventName(EVENT_FOCUSOUT$1);\n        EventHandler.on(this._element, eventIn, this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context._activeTrigger[event.type === 'focusin' ? TRIGGER_FOCUS : TRIGGER_HOVER] = true;\n          context._enter();\n        });\n        EventHandler.on(this._element, eventOut, this._config.selector, event => {\n          const context = this._initializeOnDelegatedTarget(event);\n          context._activeTrigger[event.type === 'focusout' ? TRIGGER_FOCUS : TRIGGER_HOVER] = context._element.contains(event.relatedTarget);\n          context._leave();\n        });\n      }\n    }\n    this._hideModalHandler = () => {\n      if (this._element) {\n        this.hide();\n      }\n    };\n    EventHandler.on(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n  }\n  _fixTitle() {\n    const title = this._element.getAttribute('title');\n    if (!title) {\n      return;\n    }\n    if (!this._element.getAttribute('aria-label') && !this._element.textContent.trim()) {\n      this._element.setAttribute('aria-label', title);\n    }\n    this._element.setAttribute('data-bs-original-title', title); // DO NOT USE IT. Is only for backwards compatibility\n    this._element.removeAttribute('title');\n  }\n  _enter() {\n    if (this._isShown() || this._isHovered) {\n      this._isHovered = true;\n      return;\n    }\n    this._isHovered = true;\n    this._setTimeout(() => {\n      if (this._isHovered) {\n        this.show();\n      }\n    }, this._config.delay.show);\n  }\n  _leave() {\n    if (this._isWithActiveTrigger()) {\n      return;\n    }\n    this._isHovered = false;\n    this._setTimeout(() => {\n      if (!this._isHovered) {\n        this.hide();\n      }\n    }, this._config.delay.hide);\n  }\n  _setTimeout(handler, timeout) {\n    clearTimeout(this._timeout);\n    this._timeout = setTimeout(handler, timeout);\n  }\n  _isWithActiveTrigger() {\n    return Object.values(this._activeTrigger).includes(true);\n  }\n  _getConfig(config) {\n    const dataAttributes = Manipulator.getDataAttributes(this._element);\n    for (const dataAttribute of Object.keys(dataAttributes)) {\n      if (DISALLOWED_ATTRIBUTES.has(dataAttribute)) {\n        delete dataAttributes[dataAttribute];\n      }\n    }\n    config = {\n      ...dataAttributes,\n      ...(typeof config === 'object' && config ? config : {})\n    };\n    config = this._mergeConfigObj(config);\n    config = this._configAfterMerge(config);\n    this._typeCheckConfig(config);\n    return config;\n  }\n  _configAfterMerge(config) {\n    config.container = config.container === false ? document.body : getElement(config.container);\n    if (typeof config.delay === 'number') {\n      config.delay = {\n        show: config.delay,\n        hide: config.delay\n      };\n    }\n    if (typeof config.title === 'number') {\n      config.title = config.title.toString();\n    }\n    if (typeof config.content === 'number') {\n      config.content = config.content.toString();\n    }\n    return config;\n  }\n  _getDelegateConfig() {\n    const config = {};\n    for (const [key, value] of Object.entries(this._config)) {\n      if (this.constructor.Default[key] !== value) {\n        config[key] = value;\n      }\n    }\n    config.selector = false;\n    config.trigger = 'manual';\n\n    // In the future can be replaced with:\n    // const keysWithDifferentValues = Object.entries(this._config).filter(entry => this.constructor.Default[entry[0]] !== this._config[entry[0]])\n    // `Object.fromEntries(keysWithDifferentValues)`\n    return config;\n  }\n  _disposePopper() {\n    if (this._popper) {\n      this._popper.destroy();\n      this._popper = null;\n    }\n    if (this.tip) {\n      this.tip.remove();\n      this.tip = null;\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Tooltip.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Tooltip);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap popover.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$3 = 'popover';\nconst SELECTOR_TITLE = '.popover-header';\nconst SELECTOR_CONTENT = '.popover-body';\nconst Default$2 = {\n  ...Tooltip.Default,\n  content: '',\n  offset: [0, 8],\n  placement: 'right',\n  template: '<div class=\"popover\" role=\"tooltip\">' + '<div class=\"popover-arrow\"></div>' + '<h3 class=\"popover-header\"></h3>' + '<div class=\"popover-body\"></div>' + '</div>',\n  trigger: 'click'\n};\nconst DefaultType$2 = {\n  ...Tooltip.DefaultType,\n  content: '(null|string|element|function)'\n};\n\n/**\n * Class definition\n */\n\nclass Popover extends Tooltip {\n  // Getters\n  static get Default() {\n    return Default$2;\n  }\n  static get DefaultType() {\n    return DefaultType$2;\n  }\n  static get NAME() {\n    return NAME$3;\n  }\n\n  // Overrides\n  _isWithContent() {\n    return this._getTitle() || this._getContent();\n  }\n\n  // Private\n  _getContentForTemplate() {\n    return {\n      [SELECTOR_TITLE]: this._getTitle(),\n      [SELECTOR_CONTENT]: this._getContent()\n    };\n  }\n  _getContent() {\n    return this._resolvePossibleFunction(this._config.content);\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Popover.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (typeof data[config] === 'undefined') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Popover);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap scrollspy.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$2 = 'scrollspy';\nconst DATA_KEY$2 = 'bs.scrollspy';\nconst EVENT_KEY$2 = `.${DATA_KEY$2}`;\nconst DATA_API_KEY = '.data-api';\nconst EVENT_ACTIVATE = `activate${EVENT_KEY$2}`;\nconst EVENT_CLICK = `click${EVENT_KEY$2}`;\nconst EVENT_LOAD_DATA_API$1 = `load${EVENT_KEY$2}${DATA_API_KEY}`;\nconst CLASS_NAME_DROPDOWN_ITEM = 'dropdown-item';\nconst CLASS_NAME_ACTIVE$1 = 'active';\nconst SELECTOR_DATA_SPY = '[data-bs-spy=\"scroll\"]';\nconst SELECTOR_TARGET_LINKS = '[href]';\nconst SELECTOR_NAV_LIST_GROUP = '.nav, .list-group';\nconst SELECTOR_NAV_LINKS = '.nav-link';\nconst SELECTOR_NAV_ITEMS = '.nav-item';\nconst SELECTOR_LIST_ITEMS = '.list-group-item';\nconst SELECTOR_LINK_ITEMS = `${SELECTOR_NAV_LINKS}, ${SELECTOR_NAV_ITEMS} > ${SELECTOR_NAV_LINKS}, ${SELECTOR_LIST_ITEMS}`;\nconst SELECTOR_DROPDOWN = '.dropdown';\nconst SELECTOR_DROPDOWN_TOGGLE$1 = '.dropdown-toggle';\nconst Default$1 = {\n  offset: null,\n  // TODO: v6 @deprecated, keep it for backwards compatibility reasons\n  rootMargin: '0px 0px -25%',\n  smoothScroll: false,\n  target: null,\n  threshold: [0.1, 0.5, 1]\n};\nconst DefaultType$1 = {\n  offset: '(number|null)',\n  // TODO v6 @deprecated, keep it for backwards compatibility reasons\n  rootMargin: 'string',\n  smoothScroll: 'boolean',\n  target: 'element',\n  threshold: 'array'\n};\n\n/**\n * Class definition\n */\n\nclass ScrollSpy extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n\n    // this._element is the observablesContainer and config.target the menu links wrapper\n    this._targetLinks = new Map();\n    this._observableSections = new Map();\n    this._rootElement = getComputedStyle(this._element).overflowY === 'visible' ? null : this._element;\n    this._activeTarget = null;\n    this._observer = null;\n    this._previousScrollData = {\n      visibleEntryTop: 0,\n      parentScrollTop: 0\n    };\n    this.refresh(); // initialize\n  }\n\n  // Getters\n  static get Default() {\n    return Default$1;\n  }\n  static get DefaultType() {\n    return DefaultType$1;\n  }\n  static get NAME() {\n    return NAME$2;\n  }\n\n  // Public\n  refresh() {\n    this._initializeTargetsAndObservables();\n    this._maybeEnableSmoothScroll();\n    if (this._observer) {\n      this._observer.disconnect();\n    } else {\n      this._observer = this._getNewObserver();\n    }\n    for (const section of this._observableSections.values()) {\n      this._observer.observe(section);\n    }\n  }\n  dispose() {\n    this._observer.disconnect();\n    super.dispose();\n  }\n\n  // Private\n  _configAfterMerge(config) {\n    // TODO: on v6 target should be given explicitly & remove the {target: 'ss-target'} case\n    config.target = getElement(config.target) || document.body;\n\n    // TODO: v6 Only for backwards compatibility reasons. Use rootMargin only\n    config.rootMargin = config.offset ? `${config.offset}px 0px -30%` : config.rootMargin;\n    if (typeof config.threshold === 'string') {\n      config.threshold = config.threshold.split(',').map(value => Number.parseFloat(value));\n    }\n    return config;\n  }\n  _maybeEnableSmoothScroll() {\n    if (!this._config.smoothScroll) {\n      return;\n    }\n\n    // unregister any previous listeners\n    EventHandler.off(this._config.target, EVENT_CLICK);\n    EventHandler.on(this._config.target, EVENT_CLICK, SELECTOR_TARGET_LINKS, event => {\n      const observableSection = this._observableSections.get(event.target.hash);\n      if (observableSection) {\n        event.preventDefault();\n        const root = this._rootElement || window;\n        const height = observableSection.offsetTop - this._element.offsetTop;\n        if (root.scrollTo) {\n          root.scrollTo({\n            top: height,\n            behavior: 'smooth'\n          });\n          return;\n        }\n\n        // Chrome 60 doesn't support `scrollTo`\n        root.scrollTop = height;\n      }\n    });\n  }\n  _getNewObserver() {\n    const options = {\n      root: this._rootElement,\n      threshold: this._config.threshold,\n      rootMargin: this._config.rootMargin\n    };\n    return new IntersectionObserver(entries => this._observerCallback(entries), options);\n  }\n\n  // The logic of selection\n  _observerCallback(entries) {\n    const targetElement = entry => this._targetLinks.get(`#${entry.target.id}`);\n    const activate = entry => {\n      this._previousScrollData.visibleEntryTop = entry.target.offsetTop;\n      this._process(targetElement(entry));\n    };\n    const parentScrollTop = (this._rootElement || document.documentElement).scrollTop;\n    const userScrollsDown = parentScrollTop >= this._previousScrollData.parentScrollTop;\n    this._previousScrollData.parentScrollTop = parentScrollTop;\n    for (const entry of entries) {\n      if (!entry.isIntersecting) {\n        this._activeTarget = null;\n        this._clearActiveClass(targetElement(entry));\n        continue;\n      }\n      const entryIsLowerThanPrevious = entry.target.offsetTop >= this._previousScrollData.visibleEntryTop;\n      // if we are scrolling down, pick the bigger offsetTop\n      if (userScrollsDown && entryIsLowerThanPrevious) {\n        activate(entry);\n        // if parent isn't scrolled, let's keep the first visible item, breaking the iteration\n        if (!parentScrollTop) {\n          return;\n        }\n        continue;\n      }\n\n      // if we are scrolling up, pick the smallest offsetTop\n      if (!userScrollsDown && !entryIsLowerThanPrevious) {\n        activate(entry);\n      }\n    }\n  }\n  _initializeTargetsAndObservables() {\n    this._targetLinks = new Map();\n    this._observableSections = new Map();\n    const targetLinks = SelectorEngine.find(SELECTOR_TARGET_LINKS, this._config.target);\n    for (const anchor of targetLinks) {\n      // ensure that the anchor has an id and is not disabled\n      if (!anchor.hash || isDisabled(anchor)) {\n        continue;\n      }\n      const observableSection = SelectorEngine.findOne(decodeURI(anchor.hash), this._element);\n\n      // ensure that the observableSection exists & is visible\n      if (isVisible(observableSection)) {\n        this._targetLinks.set(decodeURI(anchor.hash), anchor);\n        this._observableSections.set(anchor.hash, observableSection);\n      }\n    }\n  }\n  _process(target) {\n    if (this._activeTarget === target) {\n      return;\n    }\n    this._clearActiveClass(this._config.target);\n    this._activeTarget = target;\n    target.classList.add(CLASS_NAME_ACTIVE$1);\n    this._activateParents(target);\n    EventHandler.trigger(this._element, EVENT_ACTIVATE, {\n      relatedTarget: target\n    });\n  }\n  _activateParents(target) {\n    // Activate dropdown parents\n    if (target.classList.contains(CLASS_NAME_DROPDOWN_ITEM)) {\n      SelectorEngine.findOne(SELECTOR_DROPDOWN_TOGGLE$1, target.closest(SELECTOR_DROPDOWN)).classList.add(CLASS_NAME_ACTIVE$1);\n      return;\n    }\n    for (const listGroup of SelectorEngine.parents(target, SELECTOR_NAV_LIST_GROUP)) {\n      // Set triggered links parents as active\n      // With both <ul> and <nav> markup a parent is the previous sibling of any nav ancestor\n      for (const item of SelectorEngine.prev(listGroup, SELECTOR_LINK_ITEMS)) {\n        item.classList.add(CLASS_NAME_ACTIVE$1);\n      }\n    }\n  }\n  _clearActiveClass(parent) {\n    parent.classList.remove(CLASS_NAME_ACTIVE$1);\n    const activeNodes = SelectorEngine.find(`${SELECTOR_TARGET_LINKS}.${CLASS_NAME_ACTIVE$1}`, parent);\n    for (const node of activeNodes) {\n      node.classList.remove(CLASS_NAME_ACTIVE$1);\n    }\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = ScrollSpy.getOrCreateInstance(this, config);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(window, EVENT_LOAD_DATA_API$1, () => {\n  for (const spy of SelectorEngine.find(SELECTOR_DATA_SPY)) {\n    ScrollSpy.getOrCreateInstance(spy);\n  }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(ScrollSpy);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap tab.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$1 = 'tab';\nconst DATA_KEY$1 = 'bs.tab';\nconst EVENT_KEY$1 = `.${DATA_KEY$1}`;\nconst EVENT_HIDE$1 = `hide${EVENT_KEY$1}`;\nconst EVENT_HIDDEN$1 = `hidden${EVENT_KEY$1}`;\nconst EVENT_SHOW$1 = `show${EVENT_KEY$1}`;\nconst EVENT_SHOWN$1 = `shown${EVENT_KEY$1}`;\nconst EVENT_CLICK_DATA_API = `click${EVENT_KEY$1}`;\nconst EVENT_KEYDOWN = `keydown${EVENT_KEY$1}`;\nconst EVENT_LOAD_DATA_API = `load${EVENT_KEY$1}`;\nconst ARROW_LEFT_KEY = 'ArrowLeft';\nconst ARROW_RIGHT_KEY = 'ArrowRight';\nconst ARROW_UP_KEY = 'ArrowUp';\nconst ARROW_DOWN_KEY = 'ArrowDown';\nconst HOME_KEY = 'Home';\nconst END_KEY = 'End';\nconst CLASS_NAME_ACTIVE = 'active';\nconst CLASS_NAME_FADE$1 = 'fade';\nconst CLASS_NAME_SHOW$1 = 'show';\nconst CLASS_DROPDOWN = 'dropdown';\nconst SELECTOR_DROPDOWN_TOGGLE = '.dropdown-toggle';\nconst SELECTOR_DROPDOWN_MENU = '.dropdown-menu';\nconst NOT_SELECTOR_DROPDOWN_TOGGLE = `:not(${SELECTOR_DROPDOWN_TOGGLE})`;\nconst SELECTOR_TAB_PANEL = '.list-group, .nav, [role=\"tablist\"]';\nconst SELECTOR_OUTER = '.nav-item, .list-group-item';\nconst SELECTOR_INNER = `.nav-link${NOT_SELECTOR_DROPDOWN_TOGGLE}, .list-group-item${NOT_SELECTOR_DROPDOWN_TOGGLE}, [role=\"tab\"]${NOT_SELECTOR_DROPDOWN_TOGGLE}`;\nconst SELECTOR_DATA_TOGGLE = '[data-bs-toggle=\"tab\"], [data-bs-toggle=\"pill\"], [data-bs-toggle=\"list\"]'; // TODO: could only be `tab` in v6\nconst SELECTOR_INNER_ELEM = `${SELECTOR_INNER}, ${SELECTOR_DATA_TOGGLE}`;\nconst SELECTOR_DATA_TOGGLE_ACTIVE = `.${CLASS_NAME_ACTIVE}[data-bs-toggle=\"tab\"], .${CLASS_NAME_ACTIVE}[data-bs-toggle=\"pill\"], .${CLASS_NAME_ACTIVE}[data-bs-toggle=\"list\"]`;\n\n/**\n * Class definition\n */\n\nclass Tab extends BaseComponent {\n  constructor(element) {\n    super(element);\n    this._parent = this._element.closest(SELECTOR_TAB_PANEL);\n    if (!this._parent) {\n      return;\n      // TODO: should throw exception in v6\n      // throw new TypeError(`${element.outerHTML} has not a valid parent ${SELECTOR_INNER_ELEM}`)\n    }\n\n    // Set up initial aria attributes\n    this._setInitialAttributes(this._parent, this._getChildren());\n    EventHandler.on(this._element, EVENT_KEYDOWN, event => this._keydown(event));\n  }\n\n  // Getters\n  static get NAME() {\n    return NAME$1;\n  }\n\n  // Public\n  show() {\n    // Shows this elem and deactivate the active sibling if exists\n    const innerElem = this._element;\n    if (this._elemIsActive(innerElem)) {\n      return;\n    }\n\n    // Search for active tab on same parent to deactivate it\n    const active = this._getActiveElem();\n    const hideEvent = active ? EventHandler.trigger(active, EVENT_HIDE$1, {\n      relatedTarget: innerElem\n    }) : null;\n    const showEvent = EventHandler.trigger(innerElem, EVENT_SHOW$1, {\n      relatedTarget: active\n    });\n    if (showEvent.defaultPrevented || hideEvent && hideEvent.defaultPrevented) {\n      return;\n    }\n    this._deactivate(active, innerElem);\n    this._activate(innerElem, active);\n  }\n\n  // Private\n  _activate(element, relatedElem) {\n    if (!element) {\n      return;\n    }\n    element.classList.add(CLASS_NAME_ACTIVE);\n    this._activate(SelectorEngine.getElementFromSelector(element)); // Search and activate/show the proper section\n\n    const complete = () => {\n      if (element.getAttribute('role') !== 'tab') {\n        element.classList.add(CLASS_NAME_SHOW$1);\n        return;\n      }\n      element.removeAttribute('tabindex');\n      element.setAttribute('aria-selected', true);\n      this._toggleDropDown(element, true);\n      EventHandler.trigger(element, EVENT_SHOWN$1, {\n        relatedTarget: relatedElem\n      });\n    };\n    this._queueCallback(complete, element, element.classList.contains(CLASS_NAME_FADE$1));\n  }\n  _deactivate(element, relatedElem) {\n    if (!element) {\n      return;\n    }\n    element.classList.remove(CLASS_NAME_ACTIVE);\n    element.blur();\n    this._deactivate(SelectorEngine.getElementFromSelector(element)); // Search and deactivate the shown section too\n\n    const complete = () => {\n      if (element.getAttribute('role') !== 'tab') {\n        element.classList.remove(CLASS_NAME_SHOW$1);\n        return;\n      }\n      element.setAttribute('aria-selected', false);\n      element.setAttribute('tabindex', '-1');\n      this._toggleDropDown(element, false);\n      EventHandler.trigger(element, EVENT_HIDDEN$1, {\n        relatedTarget: relatedElem\n      });\n    };\n    this._queueCallback(complete, element, element.classList.contains(CLASS_NAME_FADE$1));\n  }\n  _keydown(event) {\n    if (![ARROW_LEFT_KEY, ARROW_RIGHT_KEY, ARROW_UP_KEY, ARROW_DOWN_KEY, HOME_KEY, END_KEY].includes(event.key)) {\n      return;\n    }\n    event.stopPropagation(); // stopPropagation/preventDefault both added to support up/down keys without scrolling the page\n    event.preventDefault();\n    const children = this._getChildren().filter(element => !isDisabled(element));\n    let nextActiveElement;\n    if ([HOME_KEY, END_KEY].includes(event.key)) {\n      nextActiveElement = children[event.key === HOME_KEY ? 0 : children.length - 1];\n    } else {\n      const isNext = [ARROW_RIGHT_KEY, ARROW_DOWN_KEY].includes(event.key);\n      nextActiveElement = getNextActiveElement(children, event.target, isNext, true);\n    }\n    if (nextActiveElement) {\n      nextActiveElement.focus({\n        preventScroll: true\n      });\n      Tab.getOrCreateInstance(nextActiveElement).show();\n    }\n  }\n  _getChildren() {\n    // collection of inner elements\n    return SelectorEngine.find(SELECTOR_INNER_ELEM, this._parent);\n  }\n  _getActiveElem() {\n    return this._getChildren().find(child => this._elemIsActive(child)) || null;\n  }\n  _setInitialAttributes(parent, children) {\n    this._setAttributeIfNotExists(parent, 'role', 'tablist');\n    for (const child of children) {\n      this._setInitialAttributesOnChild(child);\n    }\n  }\n  _setInitialAttributesOnChild(child) {\n    child = this._getInnerElement(child);\n    const isActive = this._elemIsActive(child);\n    const outerElem = this._getOuterElement(child);\n    child.setAttribute('aria-selected', isActive);\n    if (outerElem !== child) {\n      this._setAttributeIfNotExists(outerElem, 'role', 'presentation');\n    }\n    if (!isActive) {\n      child.setAttribute('tabindex', '-1');\n    }\n    this._setAttributeIfNotExists(child, 'role', 'tab');\n\n    // set attributes to the related panel too\n    this._setInitialAttributesOnTargetPanel(child);\n  }\n  _setInitialAttributesOnTargetPanel(child) {\n    const target = SelectorEngine.getElementFromSelector(child);\n    if (!target) {\n      return;\n    }\n    this._setAttributeIfNotExists(target, 'role', 'tabpanel');\n    if (child.id) {\n      this._setAttributeIfNotExists(target, 'aria-labelledby', `${child.id}`);\n    }\n  }\n  _toggleDropDown(element, open) {\n    const outerElem = this._getOuterElement(element);\n    if (!outerElem.classList.contains(CLASS_DROPDOWN)) {\n      return;\n    }\n    const toggle = (selector, className) => {\n      const element = SelectorEngine.findOne(selector, outerElem);\n      if (element) {\n        element.classList.toggle(className, open);\n      }\n    };\n    toggle(SELECTOR_DROPDOWN_TOGGLE, CLASS_NAME_ACTIVE);\n    toggle(SELECTOR_DROPDOWN_MENU, CLASS_NAME_SHOW$1);\n    outerElem.setAttribute('aria-expanded', open);\n  }\n  _setAttributeIfNotExists(element, attribute, value) {\n    if (!element.hasAttribute(attribute)) {\n      element.setAttribute(attribute, value);\n    }\n  }\n  _elemIsActive(elem) {\n    return elem.classList.contains(CLASS_NAME_ACTIVE);\n  }\n\n  // Try to get the inner element (usually the .nav-link)\n  _getInnerElement(elem) {\n    return elem.matches(SELECTOR_INNER_ELEM) ? elem : SelectorEngine.findOne(SELECTOR_INNER_ELEM, elem);\n  }\n\n  // Try to get the outer element (usually the .nav-item)\n  _getOuterElement(elem) {\n    return elem.closest(SELECTOR_OUTER) || elem;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Tab.getOrCreateInstance(this);\n      if (typeof config !== 'string') {\n        return;\n      }\n      if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n        throw new TypeError(`No method named \"${config}\"`);\n      }\n      data[config]();\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API, SELECTOR_DATA_TOGGLE, function (event) {\n  if (['A', 'AREA'].includes(this.tagName)) {\n    event.preventDefault();\n  }\n  if (isDisabled(this)) {\n    return;\n  }\n  Tab.getOrCreateInstance(this).show();\n});\n\n/**\n * Initialize on focus\n */\nEventHandler.on(window, EVENT_LOAD_DATA_API, () => {\n  for (const element of SelectorEngine.find(SELECTOR_DATA_TOGGLE_ACTIVE)) {\n    Tab.getOrCreateInstance(element);\n  }\n});\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Tab);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap toast.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME = 'toast';\nconst DATA_KEY = 'bs.toast';\nconst EVENT_KEY = `.${DATA_KEY}`;\nconst EVENT_MOUSEOVER = `mouseover${EVENT_KEY}`;\nconst EVENT_MOUSEOUT = `mouseout${EVENT_KEY}`;\nconst EVENT_FOCUSIN = `focusin${EVENT_KEY}`;\nconst EVENT_FOCUSOUT = `focusout${EVENT_KEY}`;\nconst EVENT_HIDE = `hide${EVENT_KEY}`;\nconst EVENT_HIDDEN = `hidden${EVENT_KEY}`;\nconst EVENT_SHOW = `show${EVENT_KEY}`;\nconst EVENT_SHOWN = `shown${EVENT_KEY}`;\nconst CLASS_NAME_FADE = 'fade';\nconst CLASS_NAME_HIDE = 'hide'; // @deprecated - kept here only for backwards compatibility\nconst CLASS_NAME_SHOW = 'show';\nconst CLASS_NAME_SHOWING = 'showing';\nconst DefaultType = {\n  animation: 'boolean',\n  autohide: 'boolean',\n  delay: 'number'\n};\nconst Default = {\n  animation: true,\n  autohide: true,\n  delay: 5000\n};\n\n/**\n * Class definition\n */\n\nclass Toast extends BaseComponent {\n  constructor(element, config) {\n    super(element, config);\n    this._timeout = null;\n    this._hasMouseInteraction = false;\n    this._hasKeyboardInteraction = false;\n    this._setListeners();\n  }\n\n  // Getters\n  static get Default() {\n    return Default;\n  }\n  static get DefaultType() {\n    return DefaultType;\n  }\n  static get NAME() {\n    return NAME;\n  }\n\n  // Public\n  show() {\n    const showEvent = EventHandler.trigger(this._element, EVENT_SHOW);\n    if (showEvent.defaultPrevented) {\n      return;\n    }\n    this._clearTimeout();\n    if (this._config.animation) {\n      this._element.classList.add(CLASS_NAME_FADE);\n    }\n    const complete = () => {\n      this._element.classList.remove(CLASS_NAME_SHOWING);\n      EventHandler.trigger(this._element, EVENT_SHOWN);\n      this._maybeScheduleHide();\n    };\n    this._element.classList.remove(CLASS_NAME_HIDE); // @deprecated\n    reflow(this._element);\n    this._element.classList.add(CLASS_NAME_SHOW, CLASS_NAME_SHOWING);\n    this._queueCallback(complete, this._element, this._config.animation);\n  }\n  hide() {\n    if (!this.isShown()) {\n      return;\n    }\n    const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE);\n    if (hideEvent.defaultPrevented) {\n      return;\n    }\n    const complete = () => {\n      this._element.classList.add(CLASS_NAME_HIDE); // @deprecated\n      this._element.classList.remove(CLASS_NAME_SHOWING, CLASS_NAME_SHOW);\n      EventHandler.trigger(this._element, EVENT_HIDDEN);\n    };\n    this._element.classList.add(CLASS_NAME_SHOWING);\n    this._queueCallback(complete, this._element, this._config.animation);\n  }\n  dispose() {\n    this._clearTimeout();\n    if (this.isShown()) {\n      this._element.classList.remove(CLASS_NAME_SHOW);\n    }\n    super.dispose();\n  }\n  isShown() {\n    return this._element.classList.contains(CLASS_NAME_SHOW);\n  }\n\n  // Private\n\n  _maybeScheduleHide() {\n    if (!this._config.autohide) {\n      return;\n    }\n    if (this._hasMouseInteraction || this._hasKeyboardInteraction) {\n      return;\n    }\n    this._timeout = setTimeout(() => {\n      this.hide();\n    }, this._config.delay);\n  }\n  _onInteraction(event, isInteracting) {\n    switch (event.type) {\n      case 'mouseover':\n      case 'mouseout':\n        {\n          this._hasMouseInteraction = isInteracting;\n          break;\n        }\n      case 'focusin':\n      case 'focusout':\n        {\n          this._hasKeyboardInteraction = isInteracting;\n          break;\n        }\n    }\n    if (isInteracting) {\n      this._clearTimeout();\n      return;\n    }\n    const nextElement = event.relatedTarget;\n    if (this._element === nextElement || this._element.contains(nextElement)) {\n      return;\n    }\n    this._maybeScheduleHide();\n  }\n  _setListeners() {\n    EventHandler.on(this._element, EVENT_MOUSEOVER, event => this._onInteraction(event, true));\n    EventHandler.on(this._element, EVENT_MOUSEOUT, event => this._onInteraction(event, false));\n    EventHandler.on(this._element, EVENT_FOCUSIN, event => this._onInteraction(event, true));\n    EventHandler.on(this._element, EVENT_FOCUSOUT, event => this._onInteraction(event, false));\n  }\n  _clearTimeout() {\n    clearTimeout(this._timeout);\n    this._timeout = null;\n  }\n\n  // Static\n  static jQueryInterface(config) {\n    return this.each(function () {\n      const data = Toast.getOrCreateInstance(this, config);\n      if (typeof config === 'string') {\n        if (typeof data[config] === 'undefined') {\n          throw new TypeError(`No method named \"${config}\"`);\n        }\n        data[config](this);\n      }\n    });\n  }\n}\n\n/**\n * Data API implementation\n */\n\nenableDismissTrigger(Toast);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Toast);\n\nexport { Alert, Button, Carousel, Collapse, Dropdown, Modal, Offcanvas, Popover, ScrollSpy, Tab, Toast, Tooltip };\n//# sourceMappingURL=bootstrap.esm.js.map\n","/* define several functions to replace jQuery methods\n * inspired by https://tobiasahlin.com/blog/move-from-jquery-to-vanilla-javascript/\n */\n\n/**\n * Execute a method if DOM has finished loading\n *\n * @param {function} callback the method to execute\n */\nexport function documentReady(callback) {\n  if 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diff --git a/_static/scripts/pydata-sphinx-theme.js b/_static/scripts/pydata-sphinx-theme.js
index 25dee3ec2..9aac46de0 100644
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index 131caef33..410fe6863 100644
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Symbol(\"webpack error\") : \"__webpack_error__\";\nvar resolveQueue = (queue) => {\n\tif(queue && queue.d < 1) {\n\t\tqueue.d = 1;\n\t\tqueue.forEach((fn) => (fn.r--));\n\t\tqueue.forEach((fn) => (fn.r-- ? fn.r++ : fn()));\n\t}\n}\nvar wrapDeps = (deps) => (deps.map((dep) => {\n\tif(dep !== null && typeof dep === \"object\") {\n\t\tif(dep[webpackQueues]) return dep;\n\t\tif(dep.then) {\n\t\t\tvar queue = [];\n\t\t\tqueue.d = 0;\n\t\t\tdep.then((r) => {\n\t\t\t\tobj[webpackExports] = r;\n\t\t\t\tresolveQueue(queue);\n\t\t\t}, (e) => {\n\t\t\t\tobj[webpackError] = e;\n\t\t\t\tresolveQueue(queue);\n\t\t\t});\n\t\t\tvar obj = {};\n\t\t\tobj[webpackQueues] = (fn) => (fn(queue));\n\t\t\treturn obj;\n\t\t}\n\t}\n\tvar ret = {};\n\tret[webpackQueues] = x => {};\n\tret[webpackExports] = dep;\n\treturn ret;\n}));\n__webpack_require__.a = (module, body, hasAwait) => {\n\tvar queue;\n\thasAwait && ((queue = []).d = -1);\n\tvar depQueues = new Set();\n\tvar exports = module.exports;\n\tvar currentDeps;\n\tvar outerResolve;\n\tvar reject;\n\tvar promise = new Promise((resolve, rej) => {\n\t\treject = rej;\n\t\touterResolve = resolve;\n\t});\n\tpromise[webpackExports] = exports;\n\tpromise[webpackQueues] = (fn) => (queue && fn(queue), depQueues.forEach(fn), promise[\"catch\"](x => {}));\n\tmodule.exports = promise;\n\tbody((deps) => {\n\t\tcurrentDeps = wrapDeps(deps);\n\t\tvar fn;\n\t\tvar getResult = () => (currentDeps.map((d) => {\n\t\t\tif(d[webpackError]) throw d[webpackError];\n\t\t\treturn d[webpackExports];\n\t\t}))\n\t\tvar promise = new Promise((resolve) => {\n\t\t\tfn = () => (resolve(getResult));\n\t\t\tfn.r = 0;\n\t\t\tvar fnQueue = (q) => (q !== queue && !depQueues.has(q) && (depQueues.add(q), q && !q.d && (fn.r++, q.push(fn))));\n\t\t\tcurrentDeps.map((dep) => (dep[webpackQueues](fnQueue)));\n\t\t});\n\t\treturn fn.r ? promise : getResult();\n\t}, (err) => ((err ? reject(promise[webpackError] = err) : outerResolve(exports)), resolveQueue(queue)));\n\tqueue && queue.d < 0 && (queue.d = 0);\n};","/**\n * Compare [semver](https://semver.org/) version strings to find greater, equal or lesser.\n * This library supports the full semver specification, including comparing versions with different number of digits like `1.0.0`, `1.0`, `1`, and pre-release versions like `1.0.0-alpha`.\n * @param v1 - First version to compare\n * @param v2 - Second version to compare\n * @returns Numeric value compatible with the [Array.sort(fn) interface](https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/Array/sort#Parameters).\n */\nexport const compareVersions = (v1, v2) => {\n    // validate input and split into segments\n    const n1 = validateAndParse(v1);\n    const n2 = validateAndParse(v2);\n    // pop off the patch\n    const p1 = n1.pop();\n    const p2 = n2.pop();\n    // validate numbers\n    const r = compareSegments(n1, n2);\n    if (r !== 0)\n        return r;\n    // validate pre-release\n    if (p1 && p2) {\n        return compareSegments(p1.split('.'), p2.split('.'));\n    }\n    else if (p1 || p2) {\n        return p1 ? -1 : 1;\n    }\n    return 0;\n};\n/**\n * Validate [semver](https://semver.org/) version strings.\n *\n * @param version Version number to validate\n * @returns `true` if the version number is a valid semver version number, `false` otherwise.\n *\n * @example\n * ```\n * validate('1.0.0-rc.1'); // return true\n * validate('1.0-rc.1'); // return false\n * validate('foo'); // return false\n * ```\n */\nexport const validate = (version) => typeof version === 'string' && /^[v\\d]/.test(version) && semver.test(version);\n/**\n * Compare [semver](https://semver.org/) version strings using the specified operator.\n *\n * @param v1 First version to compare\n * @param v2 Second version to compare\n * @param operator Allowed arithmetic operator to use\n * @returns `true` if the comparison between the firstVersion and the secondVersion satisfies the operator, `false` otherwise.\n *\n * @example\n * ```\n * compare('10.1.8', '10.0.4', '>'); // return true\n * compare('10.0.1', '10.0.1', '='); // return true\n * compare('10.1.1', '10.2.2', '<'); // return true\n * compare('10.1.1', '10.2.2', '<='); // return true\n * compare('10.1.1', '10.2.2', '>='); // return false\n * ```\n */\nexport const compare = (v1, v2, operator) => {\n    // validate input operator\n    assertValidOperator(operator);\n    // since result of compareVersions can only be -1 or 0 or 1\n    // a simple map can be used to replace switch\n    const res = compareVersions(v1, v2);\n    return operatorResMap[operator].includes(res);\n};\n/**\n * Match [npm semver](https://docs.npmjs.com/cli/v6/using-npm/semver) version range.\n *\n * @param version Version number to match\n * @param range Range pattern for version\n * @returns `true` if the version number is within the range, `false` otherwise.\n *\n * @example\n * ```\n * satisfies('1.1.0', '^1.0.0'); // return true\n * satisfies('1.1.0', '~1.0.0'); // return false\n * ```\n */\nexport const satisfies = (version, range) => {\n    // if no range operator then \"=\"\n    const m = range.match(/^([<>=~^]+)/);\n    const op = m ? m[1] : '=';\n    // if gt/lt/eq then operator compare\n    if (op !== '^' && op !== '~')\n        return compare(version, range, op);\n    // else range of either \"~\" or \"^\" is assumed\n    const [v1, v2, v3, , vp] = validateAndParse(version);\n    const [r1, r2, r3, , rp] = validateAndParse(range);\n    const v = [v1, v2, v3];\n    const r = [r1, r2 !== null && r2 !== void 0 ? r2 : 'x', r3 !== null && r3 !== void 0 ? r3 : 'x'];\n    // validate pre-release\n    if (rp) {\n        if (!vp)\n            return false;\n        if (compareSegments(v, r) !== 0)\n            return false;\n        if (compareSegments(vp.split('.'), rp.split('.')) === -1)\n            return false;\n    }\n    // first non-zero number\n    const nonZero = r.findIndex((v) => v !== '0') + 1;\n    // pointer to where segments can be >=\n    const i = op === '~' ? 2 : nonZero > 1 ? nonZero : 1;\n    // before pointer must be equal\n    if (compareSegments(v.slice(0, i), r.slice(0, i)) !== 0)\n        return false;\n    // after pointer must be >=\n    if (compareSegments(v.slice(i), r.slice(i)) === -1)\n        return false;\n    return true;\n};\nconst semver = /^[v^~<>=]*?(\\d+)(?:\\.([x*]|\\d+)(?:\\.([x*]|\\d+)(?:\\.([x*]|\\d+))?(?:-([\\da-z\\-]+(?:\\.[\\da-z\\-]+)*))?(?:\\+[\\da-z\\-]+(?:\\.[\\da-z\\-]+)*)?)?)?$/i;\nconst validateAndParse = (version) => {\n    if (typeof version !== 'string') {\n        throw new TypeError('Invalid argument expected string');\n    }\n    const match = version.match(semver);\n    if (!match) {\n        throw new Error(`Invalid argument not valid semver ('${version}' received)`);\n    }\n    match.shift();\n    return match;\n};\nconst isWildcard = (s) => s === '*' || s === 'x' || s === 'X';\nconst tryParse = (v) => {\n    const n = parseInt(v, 10);\n    return isNaN(n) ? v : n;\n};\nconst forceType = (a, b) => typeof a !== typeof b ? [String(a), String(b)] : [a, b];\nconst compareStrings = (a, b) => {\n    if (isWildcard(a) || isWildcard(b))\n        return 0;\n    const [ap, bp] = forceType(tryParse(a), tryParse(b));\n    if (ap > bp)\n        return 1;\n    if (ap < bp)\n        return -1;\n    return 0;\n};\nconst compareSegments = (a, b) => {\n    for (let i = 0; i < Math.max(a.length, b.length); i++) {\n        const r = compareStrings(a[i] || '0', b[i] || '0');\n        if (r !== 0)\n            return r;\n    }\n    return 0;\n};\nconst operatorResMap = {\n    '>': [1],\n    '>=': [0, 1],\n    '=': [0],\n    '<=': [-1, 0],\n    '<': [-1],\n};\nconst allowedOperators = Object.keys(operatorResMap);\nconst assertValidOperator = (op) => {\n    if (typeof op !== 'string') {\n        throw new TypeError(`Invalid operator type, expected string but got ${typeof op}`);\n    }\n    if (allowedOperators.indexOf(op) === -1) {\n        throw new Error(`Invalid operator, expected one of ${allowedOperators.join('|')}`);\n    }\n};\n//# sourceMappingURL=index.js.map","/* define several functions to replace jQuery methods\n * inspired by https://tobiasahlin.com/blog/move-from-jquery-to-vanilla-javascript/\n */\n\n/**\n * Execute a method if DOM has finished loading\n *\n * @param {function} callback the method to execute\n */\nexport function documentReady(callback) {\n  if (document.readyState != \"loading\") callback();\n  else document.addEventListener(\"DOMContentLoaded\", callback);\n}\n","// Define the custom behavior of the page\nimport { documentReady } from \"./mixin\";\nimport { compare, validate } from \"compare-versions\";\n\nimport \"../styles/pydata-sphinx-theme.scss\";\n\n/*******************************************************************************\n * Theme interaction\n */\n\nvar prefersDark = window.matchMedia(\"(prefers-color-scheme: dark)\");\n\n/**\n * set the the body theme to the one specified by the user browser\n *\n * @param {event} e\n */\nfunction autoTheme(e) {\n  document.documentElement.dataset.theme = prefersDark.matches\n    ? \"dark\"\n    : \"light\";\n}\n\n/**\n * Set the theme using the specified mode.\n * It can be one of [\"auto\", \"dark\", \"light\"]\n *\n * @param {str} mode\n */\nfunction setTheme(mode) {\n  if (mode !== \"light\" && mode !== \"dark\" && mode !== \"auto\") {\n    console.error(`Got invalid theme mode: ${mode}. Resetting to auto.`);\n    mode = \"auto\";\n  }\n\n  // get the theme\n  var colorScheme = prefersDark.matches ? \"dark\" : \"light\";\n  document.documentElement.dataset.mode = mode;\n  var theme = mode == \"auto\" ? colorScheme : mode;\n  document.documentElement.dataset.theme = theme;\n  // TODO: remove this line after Bootstrap upgrade\n  // v5.3 has a colors mode: https://getbootstrap.com/docs/5.3/customize/color-modes/\n  document.querySelectorAll(\".dropdown-menu\").forEach((el) => {\n    if (theme === \"dark\") {\n      el.classList.add(\"dropdown-menu-dark\");\n    } else {\n      el.classList.remove(\"dropdown-menu-dark\");\n    }\n  });\n\n  // save mode and theme\n  localStorage.setItem(\"mode\", mode);\n  localStorage.setItem(\"theme\", theme);\n  console.log(`[PST]: Changed to ${mode} mode using the ${theme} theme.`);\n\n  // add a listener if set on auto\n  prefersDark.onchange = mode == \"auto\" ? autoTheme : \"\";\n}\n\n/**\n * Change the theme option order so that clicking on the btn is always a change\n * from \"auto\"\n */\nfunction cycleMode() {\n  const defaultMode = document.documentElement.dataset.defaultMode || \"auto\";\n  const currentMode = localStorage.getItem(\"mode\") || defaultMode;\n\n  var loopArray = (arr, current) => {\n    var nextPosition = arr.indexOf(current) + 1;\n    if (nextPosition === arr.length) {\n      nextPosition = 0;\n    }\n    return arr[nextPosition];\n  };\n\n  // make sure the next theme after auto is always a change\n  var modeList = prefersDark.matches\n    ? [\"auto\", \"light\", \"dark\"]\n    : [\"auto\", \"dark\", \"light\"];\n  var newMode = loopArray(modeList, currentMode);\n  setTheme(newMode);\n}\n\n/**\n * add the theme listener on the btns of the navbar\n */\nfunction addModeListener() {\n  // the theme was set a first time using the initial mini-script\n  // running setMode will ensure the use of the dark mode if auto is selected\n  setTheme(document.documentElement.dataset.mode);\n\n  // Attach event handlers for toggling themes colors\n  document.querySelectorAll(\".theme-switch-button\").forEach((el) => {\n    el.addEventListener(\"click\", cycleMode);\n  });\n}\n\n/*******************************************************************************\n * TOC interactivity\n */\n\n/**\n * TOC sidebar - add \"active\" class to parent list\n *\n * Bootstrap's scrollspy adds the active class to the <a> link,\n * but for the automatic collapsing we need this on the parent list item.\n *\n * The event is triggered on \"window\" (and not the nav item as documented),\n * see https://github.com/twbs/bootstrap/issues/20086\n */\nfunction addTOCInteractivity() {\n  window.addEventListener(\"activate.bs.scrollspy\", function () {\n    const navLinks = document.querySelectorAll(\".bd-toc-nav a\");\n\n    navLinks.forEach((navLink) => {\n      navLink.parentElement.classList.remove(\"active\");\n    });\n\n    const activeNavLinks = document.querySelectorAll(\".bd-toc-nav a.active\");\n    activeNavLinks.forEach((navLink) => {\n      navLink.parentElement.classList.add(\"active\");\n    });\n  });\n}\n\n/*******************************************************************************\n * Scroll\n */\n\n/**\n * Navigation sidebar scrolling to active page\n */\nfunction scrollToActive() {\n  // If the docs nav doesn't exist, do nothing (e.g., on search page)\n  if (!document.querySelector(\".bd-docs-nav\")) {\n    return;\n  }\n\n  var sidebar = document.querySelector(\"div.bd-sidebar\");\n\n  // Remember the sidebar scroll position between page loads\n  // Inspired on source of revealjs.com\n  let storedScrollTop = parseInt(\n    sessionStorage.getItem(\"sidebar-scroll-top\"),\n    10\n  );\n\n  if (!isNaN(storedScrollTop)) {\n    // If we've got a saved scroll position, just use that\n    sidebar.scrollTop = storedScrollTop;\n    console.log(\"[PST]: Scrolled sidebar using stored browser position...\");\n  } else {\n    // Otherwise, calculate a position to scroll to based on the lowest `active` link\n    var sidebarNav = document.querySelector(\".bd-docs-nav\");\n    var active_pages = sidebarNav.querySelectorAll(\".active\");\n    if (active_pages.length > 0) {\n      // Use the last active page as the offset since it's the page we're on\n      var latest_active = active_pages[active_pages.length - 1];\n      var offset =\n        latest_active.getBoundingClientRect().y -\n        sidebar.getBoundingClientRect().y;\n      // Only scroll the navbar if the active link is lower than 50% of the page\n      if (latest_active.getBoundingClientRect().y > window.innerHeight * 0.5) {\n        let buffer = 0.25; // Buffer so we have some space above the scrolled item\n        sidebar.scrollTop = offset - sidebar.clientHeight * buffer;\n        console.log(\"[PST]: Scrolled sidebar using last active link...\");\n      }\n    }\n  }\n\n  // Store the sidebar scroll position\n  window.addEventListener(\"beforeunload\", () => {\n    sessionStorage.setItem(\"sidebar-scroll-top\", sidebar.scrollTop);\n  });\n}\n\n/*******************************************************************************\n * Search\n */\n\n/**\n * Find any search forms on the page and return their input element\n */\nvar findSearchInput = () => {\n  let forms = document.querySelectorAll(\"form.bd-search\");\n  if (!forms.length) {\n    // no search form found\n    return;\n  } else {\n    var form;\n    if (forms.length == 1) {\n      // there is exactly one search form (persistent or hidden)\n      form = forms[0];\n    } else {\n      // must be at least one persistent form, use the first persistent one\n      form = document.querySelector(\n        \"div:not(.search-button__search-container) > form.bd-search\"\n      );\n    }\n    return form.querySelector(\"input\");\n  }\n};\n\n/**\n * Activate the search field on the page.\n * - If there is a search field already visible it will be activated.\n * - If not, then a search field will pop up.\n */\nvar toggleSearchField = () => {\n  // Find the search input to highlight\n  let input = findSearchInput();\n\n  // if the input field is the hidden one (the one associated with the\n  // search button) then toggle the button state (to show/hide the field)\n  let searchPopupWrapper = document.querySelector(\".search-button__wrapper\");\n  let hiddenInput = searchPopupWrapper.querySelector(\"input\");\n  if (input === hiddenInput) {\n    searchPopupWrapper.classList.toggle(\"show\");\n  }\n  // when toggling off the search field, remove its focus\n  if (document.activeElement === input) {\n    input.blur();\n  } else {\n    input.focus();\n    input.select();\n    input.scrollIntoView({ block: \"center\" });\n  }\n};\n\n/**\n * Add an event listener for toggleSearchField() for Ctrl/Cmd + K\n */\nvar addEventListenerForSearchKeyboard = () => {\n  window.addEventListener(\n    \"keydown\",\n    (event) => {\n      let input = findSearchInput();\n      // toggle on Ctrl+k or ⌘+k\n      if (\n        // Ignore if shift or alt are pressed\n        !event.shiftKey &&\n        !event.altKey &&\n        // On Mac use ⌘, all other OS use Ctrl\n        (useCommandKey\n          ? event.metaKey && !event.ctrlKey\n          : !event.metaKey && event.ctrlKey) &&\n        // Case-insensitive so the shortcut still works with caps lock\n        /^k$/i.test(event.key)\n      ) {\n        event.preventDefault();\n        toggleSearchField();\n      }\n      // also allow Escape key to hide (but not show) the dynamic search field\n      else if (document.activeElement === input && /Escape/i.test(event.key)) {\n        toggleSearchField();\n      }\n    },\n    true\n  );\n};\n\n/**\n * If the user is on a Mac, use command (⌘) instead of control (ctrl) key\n *\n * Note: `navigator.platform` is deprecated; however MDN still recommends using\n * it for the one specific use case of detecting whether a keyboard shortcut\n * should use control or command:\n * https://developer.mozilla.org/en-US/docs/Web/API/Navigator/platform#examples\n */\nvar useCommandKey =\n  navigator.platform.indexOf(\"Mac\") === 0 || navigator.platform === \"iPhone\";\n\n/**\n * Change the search hint to `meta key` if we are a Mac\n */\n\nvar changeSearchShortcutKey = () => {\n  let shortcuts = document.querySelectorAll(\".search-button__kbd-shortcut\");\n  if (useCommandKey) {\n    shortcuts.forEach(\n      (f) => (f.querySelector(\"kbd.kbd-shortcut__modifier\").innerText = \"⌘\")\n    );\n  }\n};\n\n/**\n * Activate callbacks for search button popup\n */\nvar setupSearchButtons = () => {\n  changeSearchShortcutKey();\n  addEventListenerForSearchKeyboard();\n\n  // Add the search button trigger event callback\n  document.querySelectorAll(\".search-button__button\").forEach((btn) => {\n    btn.onclick = toggleSearchField;\n  });\n\n  // Add the search button overlay event callback\n  let overlay = document.querySelector(\".search-button__overlay\");\n  if (overlay) {\n    overlay.onclick = toggleSearchField;\n  }\n};\n\n/*******************************************************************************\n * Version Switcher\n * Note that this depends on two variables existing that are defined in\n * and `html-page-context` hook:\n *\n * - DOCUMENTATION_OPTIONS.pagename\n * - DOCUMENTATION_OPTIONS.theme_switcher_url\n */\n\n/**\n * Check if corresponding page path exists in other version of docs\n * and, if so, go there instead of the homepage of the other docs version\n *\n * @param {event} event the event that trigger the check\n */\nasync function checkPageExistsAndRedirect(event) {\n  // ensure we don't follow the initial link\n  event.preventDefault();\n  let currentFilePath = `${DOCUMENTATION_OPTIONS.pagename}.html`;\n  let tryUrl = event.currentTarget.getAttribute(\"href\");\n  let otherDocsHomepage = tryUrl.replace(currentFilePath, \"\");\n  try {\n    let head = await fetch(tryUrl, { method: \"HEAD\" });\n    if (head.ok) {\n      location.href = tryUrl; // the page exists, go there\n    } else {\n      location.href = otherDocsHomepage;\n    }\n  } catch (err) {\n    // something went wrong, probably CORS restriction, fallback to other docs homepage\n    location.href = otherDocsHomepage;\n  }\n}\n\n/**\n * Load and parse the version switcher JSON file from an absolute or relative URL.\n *\n * @param {string} url The URL to load version switcher entries from.\n */\nasync function fetchVersionSwitcherJSON(url) {\n  // first check if it's a valid URL\n  try {\n    var result = new URL(url);\n  } catch (err) {\n    if (err instanceof TypeError) {\n      // assume we got a relative path, and fix accordingly. But first, we need to\n      // use `fetch()` to follow redirects so we get the correct final base URL\n      const origin = await fetch(window.location.origin, { method: \"HEAD\" });\n      result = new URL(url, origin.url);\n    } else {\n      // something unexpected happened\n      throw err;\n    }\n  }\n  // load and return the JSON\n  const response = await fetch(result);\n  const data = await response.json();\n  return data;\n}\n\n// Populate the version switcher from the JSON data\nfunction populateVersionSwitcher(data, versionSwitcherBtns) {\n  const currentFilePath = `${DOCUMENTATION_OPTIONS.pagename}.html`;\n  versionSwitcherBtns.forEach((btn) => {\n    // Set empty strings by default so that these attributes exist and can be used in CSS selectors\n    btn.dataset[\"activeVersionName\"] = \"\";\n    btn.dataset[\"activeVersion\"] = \"\";\n  });\n  // in case there are multiple entries with the same version string, this helps us\n  // decide which entry's `name` to put on the button itself. Without this, it would\n  // always be the *last* version-matching entry; now it will be either the\n  // version-matching entry that is also marked as `\"preferred\": true`, or if that\n  // doesn't exist: the *first* version-matching entry.\n  data = data.map((entry) => {\n    // does this entry match the version that we're currently building/viewing?\n    entry.match =\n      entry.version == DOCUMENTATION_OPTIONS.theme_switcher_version_match;\n    entry.preferred = entry.preferred || false;\n    // if no custom name specified (e.g., \"latest\"), use version string\n    if (!(\"name\" in entry)) {\n      entry.name = entry.version;\n    }\n    return entry;\n  });\n  const hasMatchingPreferredEntry = data\n    .map((entry) => entry.preferred && entry.match)\n    .some(Boolean);\n  var foundMatch = false;\n  // create links to the corresponding page in the other docs versions\n  data.forEach((entry) => {\n    // create the node\n    const anchor = document.createElement(\"a\");\n    anchor.setAttribute(\n      \"class\",\n      \"dropdown-item list-group-item list-group-item-action py-1\"\n    );\n    anchor.setAttribute(\"href\", `${entry.url}${currentFilePath}`);\n    anchor.setAttribute(\"role\", \"option\");\n    const span = document.createElement(\"span\");\n    span.textContent = `${entry.name}`;\n    anchor.appendChild(span);\n    // Add dataset values for the version and name in case people want\n    // to apply CSS styling based on this information.\n    anchor.dataset[\"versionName\"] = entry.name;\n    anchor.dataset[\"version\"] = entry.version;\n    // replace dropdown button text with the preferred display name of the\n    // currently-viewed version, rather than using sphinx's {{ version }} variable.\n    // also highlight the dropdown entry for the currently-viewed version's entry\n    let matchesAndIsPreferred = hasMatchingPreferredEntry && entry.preferred;\n    let matchesAndIsFirst =\n      !hasMatchingPreferredEntry && !foundMatch && entry.match;\n    if (matchesAndIsPreferred || matchesAndIsFirst) {\n      anchor.classList.add(\"active\");\n      versionSwitcherBtns.forEach((btn) => {\n        btn.innerText = entry.name;\n        btn.dataset[\"activeVersionName\"] = entry.name;\n        btn.dataset[\"activeVersion\"] = entry.version;\n      });\n      foundMatch = true;\n    }\n    // There may be multiple version-switcher elements, e.g. one\n    // in a slide-over panel displayed on smaller screens.\n    document.querySelectorAll(\".version-switcher__menu\").forEach((menu) => {\n      // we need to clone the node for each menu, but onclick attributes are not\n      // preserved by `.cloneNode()` so we add onclick here after cloning.\n      let node = anchor.cloneNode(true);\n      node.onclick = checkPageExistsAndRedirect;\n      // on click, AJAX calls will check if the linked page exists before\n      // trying to redirect, and if not, will redirect to the homepage\n      // for that version of the docs.\n      menu.append(node);\n    });\n  });\n}\n\n/*******************************************************************************\n * Warning banner when viewing non-stable version of the docs.\n */\n\n/**\n * Show a warning banner when viewing a non-stable version of the docs.\n *\n * adapted 2023-06 from https://mne.tools/versionwarning.js, which was\n * originally adapted 2020-05 from https://scikit-learn.org/versionwarning.js\n *\n * @param {Array} data The version data used to populate the switcher menu.\n */\nfunction showVersionWarningBanner(data) {\n  var version = DOCUMENTATION_OPTIONS.VERSION;\n  // figure out what latest stable version is\n  var preferredEntries = data.filter((entry) => entry.preferred);\n  if (preferredEntries.length !== 1) {\n    const howMany = preferredEntries.length == 0 ? \"No\" : \"Multiple\";\n    console.log(\n      `[PST] ${howMany} versions marked \"preferred\" found in versions JSON, ignoring.`\n    );\n    return;\n  }\n  const preferredVersion = 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define several functions to replace jQuery methods\n * inspired by https://tobiasahlin.com/blog/move-from-jquery-to-vanilla-javascript/\n */\n\n/**\n * Execute a method if DOM has finished loading\n *\n * @param {function} callback the method to execute\n */\nexport function documentReady(callback) {\n  if (document.readyState != \"loading\") callback();\n  else document.addEventListener(\"DOMContentLoaded\", callback);\n}\n","/**\n * Compare [semver](https://semver.org/) version strings to find greater, equal or lesser.\n * This library supports the full semver specification, including comparing versions with different number of digits like `1.0.0`, `1.0`, `1`, and pre-release versions like `1.0.0-alpha`.\n * @param v1 - First version to compare\n * @param v2 - Second version to compare\n * @returns Numeric value compatible with the [Array.sort(fn) interface](https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/Array/sort#Parameters).\n */\nexport const compareVersions = (v1, v2) => {\n    // validate input and split into segments\n    const n1 = validateAndParse(v1);\n    const n2 = validateAndParse(v2);\n    // pop off the patch\n    const p1 = n1.pop();\n    const p2 = n2.pop();\n    // validate numbers\n    const r = compareSegments(n1, n2);\n    if (r !== 0)\n        return r;\n    // validate pre-release\n    if (p1 && p2) {\n        return compareSegments(p1.split('.'), p2.split('.'));\n    }\n    else if (p1 || p2) {\n        return p1 ? -1 : 1;\n    }\n    return 0;\n};\n/**\n * Validate [semver](https://semver.org/) version strings.\n *\n * @param version Version number to validate\n * @returns `true` if the version number is a valid semver version number, `false` otherwise.\n *\n * @example\n * ```\n * validate('1.0.0-rc.1'); // return true\n * validate('1.0-rc.1'); // return false\n * validate('foo'); // return false\n * ```\n */\nexport const validate = (version) => typeof version === 'string' && /^[v\\d]/.test(version) && semver.test(version);\n/**\n * Compare [semver](https://semver.org/) version strings using the specified operator.\n *\n * @param v1 First version to compare\n * @param v2 Second version to compare\n * @param operator Allowed arithmetic operator to use\n * @returns `true` if the comparison between the firstVersion and the secondVersion satisfies the operator, `false` otherwise.\n *\n * @example\n * ```\n * compare('10.1.8', '10.0.4', '>'); // return true\n * compare('10.0.1', '10.0.1', '='); // return true\n * compare('10.1.1', '10.2.2', '<'); // return true\n * compare('10.1.1', '10.2.2', '<='); // return true\n * compare('10.1.1', '10.2.2', '>='); // return false\n * ```\n */\nexport const compare = (v1, v2, operator) => {\n    // validate input operator\n    assertValidOperator(operator);\n    // since result of compareVersions can only be -1 or 0 or 1\n    // a simple map can be used to replace switch\n    const res = compareVersions(v1, v2);\n    return operatorResMap[operator].includes(res);\n};\n/**\n * Match [npm semver](https://docs.npmjs.com/cli/v6/using-npm/semver) version range.\n *\n * @param version Version number to match\n * @param range Range pattern for version\n * @returns `true` if the version number is within the range, `false` otherwise.\n *\n * @example\n * ```\n * satisfies('1.1.0', '^1.0.0'); // return true\n * satisfies('1.1.0', '~1.0.0'); // return false\n * ```\n */\nexport const satisfies = (version, range) => {\n    // if no range operator then \"=\"\n    const m = range.match(/^([<>=~^]+)/);\n    const op = m ? m[1] : '=';\n    // if gt/lt/eq then operator compare\n    if (op !== '^' && op !== '~')\n        return compare(version, range, op);\n    // else range of either \"~\" or \"^\" is assumed\n    const [v1, v2, v3, , vp] = validateAndParse(version);\n    const [r1, r2, r3, , rp] = validateAndParse(range);\n    const v = [v1, v2, v3];\n    const r = [r1, r2 !== null && r2 !== void 0 ? r2 : 'x', r3 !== null && r3 !== void 0 ? r3 : 'x'];\n    // validate pre-release\n    if (rp) {\n        if (!vp)\n            return false;\n        if (compareSegments(v, r) !== 0)\n            return false;\n        if (compareSegments(vp.split('.'), rp.split('.')) === -1)\n            return false;\n    }\n    // first non-zero number\n    const nonZero = r.findIndex((v) => v !== '0') + 1;\n    // pointer to where segments can be >=\n    const i = op === '~' ? 2 : nonZero > 1 ? nonZero : 1;\n    // before pointer must be equal\n    if (compareSegments(v.slice(0, i), r.slice(0, i)) !== 0)\n        return false;\n    // after pointer must be >=\n    if (compareSegments(v.slice(i), r.slice(i)) === -1)\n        return false;\n    return true;\n};\nconst semver = /^[v^~<>=]*?(\\d+)(?:\\.([x*]|\\d+)(?:\\.([x*]|\\d+)(?:\\.([x*]|\\d+))?(?:-([\\da-z\\-]+(?:\\.[\\da-z\\-]+)*))?(?:\\+[\\da-z\\-]+(?:\\.[\\da-z\\-]+)*)?)?)?$/i;\nconst validateAndParse = (version) => {\n    if (typeof version !== 'string') {\n        throw new TypeError('Invalid argument expected string');\n    }\n    const match = version.match(semver);\n    if (!match) {\n        throw new Error(`Invalid argument not valid semver ('${version}' received)`);\n    }\n    match.shift();\n    return match;\n};\nconst isWildcard = (s) => s === '*' || s === 'x' || s === 'X';\nconst tryParse = (v) => {\n    const n = parseInt(v, 10);\n    return isNaN(n) ? v : n;\n};\nconst forceType = (a, b) => typeof a !== typeof b ? [String(a), String(b)] : [a, b];\nconst compareStrings = (a, b) => {\n    if (isWildcard(a) || isWildcard(b))\n        return 0;\n    const [ap, bp] = forceType(tryParse(a), tryParse(b));\n    if (ap > bp)\n        return 1;\n    if (ap < bp)\n        return -1;\n    return 0;\n};\nconst compareSegments = (a, b) => {\n    for (let i = 0; i < Math.max(a.length, b.length); i++) {\n        const r = compareStrings(a[i] || '0', b[i] || '0');\n        if (r !== 0)\n            return r;\n    }\n    return 0;\n};\nconst operatorResMap = {\n    '>': [1],\n    '>=': [0, 1],\n    '=': [0],\n    '<=': [-1, 0],\n    '<': [-1],\n};\nconst allowedOperators = Object.keys(operatorResMap);\nconst assertValidOperator = (op) => {\n    if (typeof op !== 'string') {\n        throw new TypeError(`Invalid operator type, expected string but got ${typeof op}`);\n    }\n    if (allowedOperators.indexOf(op) === -1) {\n        throw new Error(`Invalid operator, expected one of ${allowedOperators.join('|')}`);\n    }\n};\n//# sourceMappingURL=index.js.map","// Define the custom behavior of the page\nimport { documentReady } from \"./mixin\";\nimport { compare, validate } from \"compare-versions\";\n\nimport \"../styles/pydata-sphinx-theme.scss\";\n\n/*******************************************************************************\n * Theme interaction\n */\n\nvar prefersDark = window.matchMedia(\"(prefers-color-scheme: dark)\");\n\n/**\n * set the the body theme to the one specified by the user browser\n *\n * @param {event} e\n */\nfunction autoTheme(e) {\n  document.documentElement.dataset.theme = prefersDark.matches\n    ? \"dark\"\n    : \"light\";\n}\n\n/**\n * Set the theme using the specified mode.\n * It can be one of [\"auto\", \"dark\", \"light\"]\n *\n * @param {str} mode\n */\nfunction setTheme(mode) {\n  if (mode !== \"light\" && mode !== \"dark\" && mode !== \"auto\") {\n    console.error(`Got invalid theme mode: ${mode}. Resetting to auto.`);\n    mode = \"auto\";\n  }\n\n  // get the theme\n  var colorScheme = prefersDark.matches ? \"dark\" : \"light\";\n  document.documentElement.dataset.mode = mode;\n  var theme = mode == \"auto\" ? colorScheme : mode;\n  document.documentElement.dataset.theme = theme;\n  // TODO: remove this line after Bootstrap upgrade\n  // v5.3 has a colors mode: https://getbootstrap.com/docs/5.3/customize/color-modes/\n  document.querySelectorAll(\".dropdown-menu\").forEach((el) => {\n    if (theme === \"dark\") {\n      el.classList.add(\"dropdown-menu-dark\");\n    } else {\n      el.classList.remove(\"dropdown-menu-dark\");\n    }\n  });\n\n  // save mode and theme\n  localStorage.setItem(\"mode\", mode);\n  localStorage.setItem(\"theme\", theme);\n  console.log(`[PST]: Changed to ${mode} mode using the ${theme} theme.`);\n\n  // add a listener if set on auto\n  prefersDark.onchange = mode == \"auto\" ? autoTheme : \"\";\n}\n\n/**\n * Change the theme option order so that clicking on the btn is always a change\n * from \"auto\"\n */\nfunction cycleMode() {\n  const defaultMode = document.documentElement.dataset.defaultMode || \"auto\";\n  const currentMode = localStorage.getItem(\"mode\") || defaultMode;\n\n  var loopArray = (arr, current) => {\n    var nextPosition = arr.indexOf(current) + 1;\n    if (nextPosition === arr.length) {\n      nextPosition = 0;\n    }\n    return arr[nextPosition];\n  };\n\n  // make sure the next theme after auto is always a change\n  var modeList = prefersDark.matches\n    ? [\"auto\", \"light\", \"dark\"]\n    : [\"auto\", \"dark\", \"light\"];\n  var newMode = loopArray(modeList, currentMode);\n  setTheme(newMode);\n}\n\n/**\n * add the theme listener on the btns of the navbar\n */\nfunction addModeListener() {\n  // the theme was set a first time using the initial mini-script\n  // running setMode will ensure the use of the dark mode if auto is selected\n  setTheme(document.documentElement.dataset.mode);\n\n  // Attach event handlers for toggling themes colors\n  document.querySelectorAll(\".theme-switch-button\").forEach((el) => {\n    el.addEventListener(\"click\", cycleMode);\n  });\n}\n\n/*******************************************************************************\n * TOC interactivity\n */\n\n/**\n * TOC sidebar - add \"active\" class to parent list\n *\n * Bootstrap's scrollspy adds the active class to the <a> link,\n * but for the automatic collapsing we need this on the parent list item.\n *\n * The event is triggered on \"window\" (and not the nav item as documented),\n * see https://github.com/twbs/bootstrap/issues/20086\n */\nfunction addTOCInteractivity() {\n  window.addEventListener(\"activate.bs.scrollspy\", function () {\n    const navLinks = document.querySelectorAll(\".bd-toc-nav a\");\n\n    navLinks.forEach((navLink) => {\n      navLink.parentElement.classList.remove(\"active\");\n    });\n\n    const activeNavLinks = document.querySelectorAll(\".bd-toc-nav a.active\");\n    activeNavLinks.forEach((navLink) => {\n      navLink.parentElement.classList.add(\"active\");\n    });\n  });\n}\n\n/*******************************************************************************\n * Scroll\n */\n\n/**\n * Navigation sidebar scrolling to active page\n */\nfunction scrollToActive() {\n  // If the docs nav doesn't exist, do nothing (e.g., on search page)\n  if (!document.querySelector(\".bd-docs-nav\")) {\n    return;\n  }\n\n  var sidebar = document.querySelector(\"div.bd-sidebar\");\n\n  // Remember the sidebar scroll position between page loads\n  // Inspired on source of revealjs.com\n  let storedScrollTop = parseInt(\n    sessionStorage.getItem(\"sidebar-scroll-top\"),\n    10,\n  );\n\n  if (!isNaN(storedScrollTop)) {\n    // If we've got a saved scroll position, just use that\n    sidebar.scrollTop = storedScrollTop;\n    console.log(\"[PST]: Scrolled sidebar using stored browser position...\");\n  } else {\n    // Otherwise, calculate a position to scroll to based on the lowest `active` link\n    var sidebarNav = document.querySelector(\".bd-docs-nav\");\n    var active_pages = sidebarNav.querySelectorAll(\".active\");\n    if (active_pages.length > 0) {\n      // Use the last active page as the offset since it's the page we're on\n      var latest_active = active_pages[active_pages.length - 1];\n      var offset =\n        latest_active.getBoundingClientRect().y -\n        sidebar.getBoundingClientRect().y;\n      // Only scroll the navbar if the active link is lower than 50% of the page\n      if (latest_active.getBoundingClientRect().y > window.innerHeight * 0.5) {\n        let buffer = 0.25; // Buffer so we have some space above the scrolled item\n        sidebar.scrollTop = offset - sidebar.clientHeight * buffer;\n        console.log(\"[PST]: Scrolled sidebar using last active link...\");\n      }\n    }\n  }\n\n  // Store the sidebar scroll position\n  window.addEventListener(\"beforeunload\", () => {\n    sessionStorage.setItem(\"sidebar-scroll-top\", sidebar.scrollTop);\n  });\n}\n\n/*******************************************************************************\n * Search\n */\n\n/**\n * Find any search forms on the page and return their input element\n */\nvar findSearchInput = () => {\n  let forms = document.querySelectorAll(\"form.bd-search\");\n  if (!forms.length) {\n    // no search form found\n    return;\n  } else {\n    var form;\n    if (forms.length == 1) {\n      // there is exactly one search form (persistent or hidden)\n      form = forms[0];\n    } else {\n      // must be at least one persistent form, use the first persistent one\n      form = document.querySelector(\n        \"div:not(.search-button__search-container) > form.bd-search\",\n      );\n    }\n    return form.querySelector(\"input\");\n  }\n};\n\n/**\n * Activate the search field on the page.\n * - If there is a search field already visible it will be activated.\n * - If not, then a search field will pop up.\n */\nvar toggleSearchField = () => {\n  // Find the search input to highlight\n  let input = findSearchInput();\n\n  // if the input field is the hidden one (the one associated with the\n  // search button) then toggle the button state (to show/hide the field)\n  let searchPopupWrapper = document.querySelector(\".search-button__wrapper\");\n  let hiddenInput = searchPopupWrapper.querySelector(\"input\");\n  if (input === hiddenInput) {\n    searchPopupWrapper.classList.toggle(\"show\");\n  }\n  // when toggling off the search field, remove its focus\n  if (document.activeElement === input) {\n    input.blur();\n  } else {\n    input.focus();\n    input.select();\n    input.scrollIntoView({ block: \"center\" });\n  }\n};\n\n/**\n * Add an event listener for toggleSearchField() for Ctrl/Cmd + K\n */\nvar addEventListenerForSearchKeyboard = () => {\n  window.addEventListener(\n    \"keydown\",\n    (event) => {\n      let input = findSearchInput();\n      // toggle on Ctrl+k or ⌘+k\n      if (\n        // Ignore if shift or alt are pressed\n        !event.shiftKey &&\n        !event.altKey &&\n        // On Mac use ⌘, all other OS use Ctrl\n        (useCommandKey\n          ? event.metaKey && !event.ctrlKey\n          : !event.metaKey && event.ctrlKey) &&\n        // Case-insensitive so the shortcut still works with caps lock\n        /^k$/i.test(event.key)\n      ) {\n        event.preventDefault();\n        toggleSearchField();\n      }\n      // also allow Escape key to hide (but not show) the dynamic search field\n      else if (document.activeElement === input && /Escape/i.test(event.key)) {\n        toggleSearchField();\n      }\n    },\n    true,\n  );\n};\n\n/**\n * If the user is on a Mac, use command (⌘) instead of control (ctrl) key\n *\n * Note: `navigator.platform` is deprecated; however MDN still recommends using\n * it for the one specific use case of detecting whether a keyboard shortcut\n * should use control or command:\n * https://developer.mozilla.org/en-US/docs/Web/API/Navigator/platform#examples\n */\nvar useCommandKey =\n  navigator.platform.indexOf(\"Mac\") === 0 || navigator.platform === \"iPhone\";\n\n/**\n * Change the search hint to `meta key` if we are a Mac\n */\n\nvar changeSearchShortcutKey = () => {\n  let shortcuts = document.querySelectorAll(\".search-button__kbd-shortcut\");\n  if (useCommandKey) {\n    shortcuts.forEach(\n      (f) => (f.querySelector(\"kbd.kbd-shortcut__modifier\").innerText = \"⌘\"),\n    );\n  }\n};\n\n/**\n * Activate callbacks for search button popup\n */\nvar setupSearchButtons = () => {\n  changeSearchShortcutKey();\n  addEventListenerForSearchKeyboard();\n\n  // Add the search button trigger event callback\n  document.querySelectorAll(\".search-button__button\").forEach((btn) => {\n    btn.onclick = toggleSearchField;\n  });\n\n  // Add the search button overlay event callback\n  let overlay = document.querySelector(\".search-button__overlay\");\n  if (overlay) {\n    overlay.onclick = toggleSearchField;\n  }\n};\n\n/*******************************************************************************\n * Version Switcher\n * Note that this depends on two variables existing that are defined in\n * and `html-page-context` hook:\n *\n * - DOCUMENTATION_OPTIONS.pagename\n * - DOCUMENTATION_OPTIONS.theme_switcher_url\n */\n\n/**\n * path component of URL\n */\nvar getCurrentUrlPath = () => {\n  if (DOCUMENTATION_OPTIONS.BUILDER == \"dirhtml\") {\n    return DOCUMENTATION_OPTIONS.pagename == \"index\"\n      ? `/`\n      : `${DOCUMENTATION_OPTIONS.pagename}/`;\n  }\n  return `${DOCUMENTATION_OPTIONS.pagename}.html`;\n};\n\n/**\n * Allow user to dismiss the warning banner about the docs version being dev / old.\n * We store the dismissal date and version, to give us flexibility about making the\n * dismissal last for longer than one browser session, if we decide to do that.\n *\n * @param {event} event the event that trigger the check\n */\nasync function DismissBannerAndStorePref(event) {\n  const banner = document.querySelector(\"#bd-header-version-warning\");\n  banner.remove();\n  const version = DOCUMENTATION_OPTIONS.VERSION;\n  const now = new Date();\n  const banner_pref = JSON.parse(\n    localStorage.getItem(\"pst_banner_pref\") || \"{}\",\n  );\n  console.debug(\n    `[PST] Dismissing the version warning banner on ${version} starting ${now}.`,\n  );\n  banner_pref[version] = now;\n  localStorage.setItem(\"pst_banner_pref\", JSON.stringify(banner_pref));\n}\n\n/**\n * Check if corresponding page path exists in other version of docs\n * and, if so, go there instead of the homepage of the other docs version\n *\n * @param {event} event the event that trigger the check\n */\nasync function checkPageExistsAndRedirect(event) {\n  // ensure we don't follow the initial link\n  event.preventDefault();\n  const currentFilePath = getCurrentUrlPath();\n  let tryUrl = event.currentTarget.getAttribute(\"href\");\n  let otherDocsHomepage = tryUrl.replace(currentFilePath, \"\");\n  try {\n    let head = await fetch(tryUrl, { method: \"HEAD\" });\n    if (head.ok) {\n      location.href = tryUrl; // the page exists, go there\n    } else {\n      location.href = otherDocsHomepage;\n    }\n  } catch (err) {\n    // something went wrong, probably CORS restriction, fallback to other docs homepage\n    location.href = otherDocsHomepage;\n  }\n}\n\n/**\n * Load and parse the version switcher JSON file from an absolute or relative URL.\n *\n * @param {string} url The URL to load version switcher entries from.\n */\nasync function fetchVersionSwitcherJSON(url) {\n  // first check if it's a valid URL\n  try {\n    var result = new URL(url);\n  } catch (err) {\n    if (err instanceof TypeError) {\n      if (!window.location.origin) {\n        // window.location.origin is null for local static sites\n        // (ie. window.location.protocol == 'file:')\n        //\n        // TODO: Fix this to return the static version switcher by working out\n        // how to get the correct path to the switcher JSON file on local static builds\n        return null;\n      }\n      // assume we got a relative path, and fix accordingly. But first, we need to\n      // use `fetch()` to follow redirects so we get the correct final base URL\n      const origin = await fetch(window.location.origin, { method: \"HEAD\" });\n      result = new URL(url, origin.url);\n    } else {\n      // something unexpected happened\n      throw err;\n    }\n  }\n  // load and return the JSON\n  const response = await fetch(result);\n  const data = await response.json();\n  return data;\n}\n\n// Populate the version switcher from the JSON data\nfunction populateVersionSwitcher(data, versionSwitcherBtns) {\n  const currentFilePath = getCurrentUrlPath();\n  versionSwitcherBtns.forEach((btn) => {\n    // Set empty strings by default so that these attributes exist and can be used in CSS selectors\n    btn.dataset[\"activeVersionName\"] = \"\";\n    btn.dataset[\"activeVersion\"] = \"\";\n  });\n  // in case there are multiple entries with the same version string, this helps us\n  // decide which entry's `name` to put on the button itself. Without this, it would\n  // always be the *last* version-matching entry; now it will be either the\n  // version-matching entry that is also marked as `\"preferred\": true`, or if that\n  // doesn't exist: the *first* version-matching entry.\n  data = data.map((entry) => {\n    // does this entry match the version that we're currently building/viewing?\n    entry.match =\n      entry.version == DOCUMENTATION_OPTIONS.theme_switcher_version_match;\n    entry.preferred = entry.preferred || false;\n    // if no custom name specified (e.g., \"latest\"), use version string\n    if (!(\"name\" in entry)) {\n      entry.name = entry.version;\n    }\n    return entry;\n  });\n  const hasMatchingPreferredEntry = data\n    .map((entry) => entry.preferred && entry.match)\n    .some(Boolean);\n  var foundMatch = false;\n  // create links to the corresponding page in the other docs versions\n  data.forEach((entry) => {\n    // create the node\n    const anchor = document.createElement(\"a\");\n    anchor.setAttribute(\n      \"class\",\n      \"dropdown-item list-group-item list-group-item-action py-1\",\n    );\n    anchor.setAttribute(\"href\", `${entry.url}${currentFilePath}`);\n    anchor.setAttribute(\"role\", \"option\");\n    const span = document.createElement(\"span\");\n    span.textContent = `${entry.name}`;\n    anchor.appendChild(span);\n    // Add dataset values for the version and name in case people want\n    // to apply CSS styling based on this information.\n    anchor.dataset[\"versionName\"] = entry.name;\n    anchor.dataset[\"version\"] = entry.version;\n    // replace dropdown button text with the preferred display name of the\n    // currently-viewed version, rather than using sphinx's {{ version }} variable.\n    // also highlight the dropdown entry for the currently-viewed version's entry\n    let matchesAndIsPreferred = hasMatchingPreferredEntry && entry.preferred;\n    let matchesAndIsFirst =\n      !hasMatchingPreferredEntry && !foundMatch && entry.match;\n    if (matchesAndIsPreferred || matchesAndIsFirst) {\n      anchor.classList.add(\"active\");\n      versionSwitcherBtns.forEach((btn) => {\n        btn.innerText = entry.name;\n        btn.dataset[\"activeVersionName\"] = entry.name;\n        btn.dataset[\"activeVersion\"] = entry.version;\n      });\n      foundMatch = true;\n    }\n    // There may be multiple version-switcher elements, e.g. one\n    // in a slide-over panel displayed on smaller screens.\n    document.querySelectorAll(\".version-switcher__menu\").forEach((menu) => {\n      // we need to clone the node for each menu, but onclick attributes are not\n      // preserved by `.cloneNode()` so we add onclick here after cloning.\n      let node = anchor.cloneNode(true);\n      node.onclick = checkPageExistsAndRedirect;\n      // on click, AJAX calls will check if the linked page exists before\n      // trying to redirect, and if not, will redirect to the homepage\n      // for that version of the docs.\n      menu.append(node);\n    });\n  });\n}\n\n/*******************************************************************************\n * Warning banner when viewing non-stable version of the docs.\n */\n\n/**\n * Show a warning banner when viewing a non-stable version of the docs.\n *\n * adapted 2023-06 from https://mne.tools/versionwarning.js, which was\n * originally adapted 2020-05 from https://scikit-learn.org/versionwarning.js\n *\n * @param {Array} data The version data used to populate the switcher menu.\n */\nfunction showVersionWarningBanner(data) {\n  var version = DOCUMENTATION_OPTIONS.VERSION;\n  // figure out what latest stable version is\n  var preferredEntries = data.filter((entry) => entry.preferred);\n  if (preferredEntries.length !== 1) {\n    const howMany = preferredEntries.length == 0 ? \"No\" : \"Multiple\";\n    console.log(\n      `[PST] ${howMany} versions marked \"preferred\" found in versions JSON, ignoring.`,\n    );\n    return;\n  }\n  const preferredVersion = preferredEntries[0].version;\n  const preferredURL = preferredEntries[0].url;\n  // if already on preferred version, nothing to do\n  const versionsAreComparable = validate(version) && validate(preferredVersion);\n  if (versionsAreComparable && compare(version, preferredVersion, \"=\")) {\n    console.log(\n      \"This is the prefered version of the docs, not showing the warning banner.\",\n    );\n    return;\n  }\n  // check if banner has been dismissed recently\n  const dismiss_date_str = JSON.parse(\n    localStorage.getItem(\"pst_banner_pref\") || \"{}\",\n  )[version];\n  if (dismiss_date_str != null) {\n    const dismiss_date = new Date(dismiss_date_str);\n    const now = new Date();\n    const milliseconds_in_a_day = 24 * 60 * 60 * 1000;\n    const days_passed = (now - dismiss_date) / milliseconds_in_a_day;\n    const timeout_in_days = 14;\n    if (days_passed < timeout_in_days) {\n      console.info(\n        `[PST] Suppressing version warning banner; was dismissed ${Math.floor(days_passed)} day(s) ago`,\n      );\n      return;\n    }\n  }\n\n  // now construct the warning banner\n  const banner = document.querySelector(\"#bd-header-version-warning\");\n  const middle = document.createElement(\"div\");\n  const inner = document.createElement(\"div\");\n  const bold = document.createElement(\"strong\");\n  const button = document.createElement(\"a\");\n  const close_btn = document.createElement(\"a\");\n  // these classes exist since pydata-sphinx-theme v0.10.0\n  // the init class is used for animation\n  middle.classList = \"bd-header-announcement__content  ms-auto me-auto\";\n  inner.classList = \"sidebar-message\";\n  button.classList =\n    \"btn text-wrap font-weight-bold ms-3 my-1 align-baseline pst-button-link-to-stable-version\";\n  button.href = `${preferredURL}${getCurrentUrlPath()}`;\n  button.innerText = \"Switch to stable version\";\n  button.onclick = checkPageExistsAndRedirect;\n  close_btn.classList = \"ms-3 my-1 align-baseline\";\n  const close_x = document.createElement(\"i\");\n  close_btn.append(close_x);\n  close_x.classList = \"fa-solid fa-xmark\";\n  close_btn.onclick = DismissBannerAndStorePref;\n  // add the version-dependent text\n  inner.innerText = \"This is documentation for \";\n  const isDev =\n    version.includes(\"dev\") ||\n    version.includes(\"rc\") ||\n    version.includes(\"pre\");\n  const newerThanPreferred =\n    versionsAreComparable && compare(version, preferredVersion, \">\");\n  if (isDev || newerThanPreferred) {\n    bold.innerText = \"an unstable development version\";\n  } else if (versionsAreComparable && compare(version, preferredVersion, \"<\")) {\n    bold.innerText = `an old version (${version})`;\n  } else if (!version) {\n    bold.innerText = \"an unknown version\"; // e.g., an empty string\n  } else {\n    bold.innerText = `version ${version}`;\n  }\n  banner.appendChild(middle);\n  banner.append(close_btn);\n  middle.appendChild(inner);\n  inner.appendChild(bold);\n  inner.appendChild(document.createTextNode(\".\"));\n  inner.appendChild(button);\n  banner.classList.remove(\"d-none\");\n}\n\n/*******************************************************************************\n * MutationObserver to move the ReadTheDocs button\n */\n\n/**\n * intercept the RTD flyout and place it in the rtd-footer-container if existing\n * if not it stays where on top of the page\n */\nfunction initRTDObserver() {\n  const mutatedCallback = (mutationList, observer) => {\n    mutationList.forEach((mutation) => {\n      // Check whether the mutation is for RTD, which will have a specific structure\n      if (mutation.addedNodes.length === 0) {\n        return;\n      }\n      if (mutation.addedNodes[0].data === undefined) {\n        return;\n      }\n      if (mutation.addedNodes[0].data.search(\"Inserted RTD Footer\") != -1) {\n        mutation.addedNodes.forEach((node) => {\n          document.getElementById(\"rtd-footer-container\").append(node);\n        });\n      }\n    });\n  };\n\n  const observer = new MutationObserver(mutatedCallback);\n  const config = { childList: true };\n  observer.observe(document.body, config);\n}\n\nasync function fetchAndUseVersions() {\n  // fetch the JSON version data (only once), then use it to populate the version\n  // switcher and maybe show the version warning bar\n  var versionSwitcherBtns = document.querySelectorAll(\n    \".version-switcher__button\",\n  );\n  const hasSwitcherMenu = versionSwitcherBtns.length > 0;\n  const hasVersionsJSON = DOCUMENTATION_OPTIONS.hasOwnProperty(\n    \"theme_switcher_json_url\",\n  );\n  const wantsWarningBanner = DOCUMENTATION_OPTIONS.show_version_warning_banner;\n\n  if (hasVersionsJSON && (hasSwitcherMenu || wantsWarningBanner)) {\n    const data = await fetchVersionSwitcherJSON(\n      DOCUMENTATION_OPTIONS.theme_switcher_json_url,\n    );\n    // TODO: remove the `if(data)` once the `return null` is fixed within fetchVersionSwitcherJSON.\n    // We don't really want the switcher and warning bar to silently not work.\n    if (data) {\n      populateVersionSwitcher(data, versionSwitcherBtns);\n      if (wantsWarningBanner) {\n        showVersionWarningBanner(data);\n      }\n    }\n  }\n}\n\n/*******************************************************************************\n * Add keyboard functionality to mobile sidebars.\n *\n * Wire up the hamburger-style buttons using the click event which (on buttons)\n * handles both mouse clicks and the space and enter keys.\n */\nfunction setupMobileSidebarKeyboardHandlers() {\n  // These are hidden checkboxes at the top of the page whose :checked property\n  // allows the mobile sidebars to be hidden or revealed via CSS.\n  const primaryToggle = document.getElementById(\"pst-primary-sidebar-checkbox\");\n  const secondaryToggle = document.getElementById(\n    \"pst-secondary-sidebar-checkbox\",\n  );\n  const primarySidebar = document.querySelector(\".bd-sidebar-primary\");\n  const secondarySidebar = document.querySelector(\".bd-sidebar-secondary\");\n\n  // Toggle buttons -\n  //\n  // These are the hamburger-style buttons in the header nav bar. When the user\n  // clicks, the button transmits the click to the hidden checkboxes used by the\n  // CSS to control whether the sidebar is open or closed.\n  const primaryClickTransmitter = document.querySelector(\".primary-toggle\");\n  const secondaryClickTransmitter = document.querySelector(\".secondary-toggle\");\n  [\n    [primaryClickTransmitter, primaryToggle, primarySidebar],\n    [secondaryClickTransmitter, secondaryToggle, secondarySidebar],\n  ].forEach(([clickTransmitter, toggle, sidebar]) => {\n    if (!clickTransmitter) {\n      return;\n    }\n    clickTransmitter.addEventListener(\"click\", (event) => {\n      event.preventDefault();\n      event.stopPropagation();\n      toggle.checked = !toggle.checked;\n\n      // If we are opening the sidebar, move focus to the first focusable item\n      // in the sidebar\n      if (toggle.checked) {\n        // Note: this selector is not exhaustive, and we may need to update it\n        // in the future\n        const tabStop = sidebar.querySelector(\"a, button\");\n        // use setTimeout because you cannot move focus synchronously during a\n        // click in the handler for the click event\n        setTimeout(() => tabStop.focus(), 100);\n      }\n    });\n  });\n\n  // Escape key -\n  //\n  // When sidebar is open, user should be able to press escape key to close the\n  // sidebar.\n  [\n    [primarySidebar, primaryToggle, primaryClickTransmitter],\n    [secondarySidebar, secondaryToggle, secondaryClickTransmitter],\n  ].forEach(([sidebar, toggle, transmitter]) => {\n    if (!sidebar) {\n      return;\n    }\n    sidebar.addEventListener(\"keydown\", (event) => {\n      if (event.key === \"Escape\") {\n        event.preventDefault();\n        event.stopPropagation();\n        toggle.checked = false;\n        transmitter.focus();\n      }\n    });\n  });\n\n  // When the <label> overlay is clicked to close the sidebar, return focus to\n  // the opener button in the nav bar.\n  [\n    [primaryToggle, primaryClickTransmitter],\n    [secondaryToggle, secondaryClickTransmitter],\n  ].forEach(([toggle, transmitter]) => {\n    toggle.addEventListener(\"change\", (event) => {\n      if (!event.currentTarget.checked) {\n        transmitter.focus();\n      }\n    });\n  });\n}\n\n/**\n * When the page loads, or the window resizes, or descendant nodes are added or\n * removed from the main element, check all code blocks and Jupyter notebook\n * outputs, and for each one that has scrollable overflow, set tabIndex = 0.\n */\nfunction addTabStopsToScrollableElements() {\n  const updateTabStops = () => {\n    document\n      .querySelectorAll(\n        \"pre, \" + // code blocks\n          \".nboutput > .output_area, \" + // NBSphinx notebook output\n          \".cell_output > .output, \" + // Myst-NB\n          \".jp-RenderedHTMLCommon\", // ipywidgets\n      )\n      .forEach((el) => {\n        el.tabIndex =\n          el.scrollWidth > el.clientWidth || el.scrollHeight > el.clientHeight\n            ? 0\n            : -1;\n      });\n  };\n  const debouncedUpdateTabStops = debounce(updateTabStops, 300);\n\n  // On window resize\n  window.addEventListener(\"resize\", debouncedUpdateTabStops);\n\n  // The following MutationObserver is for ipywidgets, which take some time to\n  // finish loading and rendering on the page (so even after the \"load\" event is\n  // fired, they still have not finished rendering). Would be nice to replace\n  // the MutationObserver if there is a way to hook into the ipywidgets code to\n  // know when it is done.\n  const mainObserver = new MutationObserver(debouncedUpdateTabStops);\n\n  // On descendant nodes added/removed from main element\n  mainObserver.observe(document.getElementById(\"main-content\"), {\n    subtree: true,\n    childList: true,\n  });\n\n  // On page load (when this function gets called)\n  updateTabStops();\n}\nfunction debounce(callback, wait) {\n  let timeoutId = null;\n  return (...args) => {\n    clearTimeout(timeoutId);\n    timeoutId = setTimeout(() => {\n      callback(...args);\n    }, wait);\n  };\n}\n\n/*******************************************************************************\n * Announcement banner - fetch and load remote HTML\n */\nasync function setupAnnouncementBanner() {\n  const banner = document.querySelector(\".bd-header-announcement\");\n  const { pstAnnouncementUrl } = banner ? banner.dataset : null;\n\n  if (!pstAnnouncementUrl) {\n    return;\n  }\n\n  try {\n    const response = await fetch(pstAnnouncementUrl);\n    if (!response.ok) {\n      throw new Error(\n        `[PST]: HTTP response status not ok: ${response.status} ${response.statusText}`,\n      );\n    }\n    const data = await response.text();\n    if (data.length === 0) {\n      console.log(`[PST]: Empty announcement at: ${pstAnnouncementUrl}`);\n      return;\n    }\n    banner.innerHTML = `<div class=\"bd-header-announcement__content\">${data}</div>`;\n    banner.classList.remove(\"d-none\");\n  } catch (_error) {\n    console.log(`[PST]: Failed to load announcement at: ${pstAnnouncementUrl}`);\n    console.error(_error);\n  }\n}\n\n/*******************************************************************************\n * Reveal (and animate) the banners (version warning, announcement) together\n */\nasync function fetchRevealBannersTogether() {\n  // Wait until finished fetching and loading banners\n  await 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diff --git a/_static/scripts/sphinx-book-theme.js b/_static/scripts/sphinx-book-theme.js
index be9fa44d6..481ba0c19 100644
--- a/_static/scripts/sphinx-book-theme.js
+++ b/_static/scripts/sphinx-book-theme.js
@@ -1,2 +1,2 @@
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diff --git a/_static/scripts/sphinx-book-theme.js.map b/_static/scripts/sphinx-book-theme.js.map
index b8abcf860..2cc145ab8 100644
--- a/_static/scripts/sphinx-book-theme.js.map
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diff --git a/_sphinx_design_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css b/_static/sphinx-design.min.css
similarity index 87%
rename from _sphinx_design_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css
rename to _static/sphinx-design.min.css
index eb19f698a..a325746f2 100644
--- a/_sphinx_design_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css
+++ b/_static/sphinx-design.min.css
@@ -1 +1 @@
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diff --git a/_static/styles/bootstrap.css b/_static/styles/bootstrap.css
index 82b03c0cd..5ac709fc9 100644
--- a/_static/styles/bootstrap.css
+++ b/_static/styles/bootstrap.css
@@ -1,6 +1,6 @@
 /*!
- * Bootstrap  v5.3.2 (https://getbootstrap.com/)
- * Copyright 2011-2023 The Bootstrap Authors
+ * Bootstrap  v5.3.3 (https://getbootstrap.com/)
+ * Copyright 2011-2024 The Bootstrap Authors
  * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)
- 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.page-link{border-bottom-right-radius:var(--bs-pagination-border-radius);border-top-right-radius:var(--bs-pagination-border-radius)}.pagination-lg{--bs-pagination-padding-x:1.5rem;--bs-pagination-padding-y:0.75rem;--bs-pagination-font-size:1.25rem;--bs-pagination-border-radius:var(--bs-border-radius-lg)}.pagination-sm{--bs-pagination-padding-x:0.5rem;--bs-pagination-padding-y:0.25rem;--bs-pagination-font-size:0.875rem;--bs-pagination-border-radius:var(--bs-border-radius-sm)}.badge{--bs-badge-padding-x:0.65em;--bs-badge-padding-y:0.35em;--bs-badge-font-size:0.75em;--bs-badge-font-weight:700;--bs-badge-color:#fff;--bs-badge-border-radius:var(--bs-border-radius);border-radius:var(--bs-badge-border-radius);color:var(--bs-badge-color);display:inline-block;font-size:var(--bs-badge-font-size);font-weight:var(--bs-badge-font-weight);line-height:1;padding:var(--bs-badge-padding-y) var(--bs-badge-padding-x);text-align:center;vertical-align:baseline;white-space:nowrap}.badge:empty{display:none}.btn .badge{position:relative;top:-1px}.alert{--bs-alert-bg:transparent;--bs-alert-padding-x:1rem;--bs-alert-padding-y:1rem;--bs-alert-margin-bottom:1rem;--bs-alert-color:inherit;--bs-alert-border-color:transparent;--bs-alert-border:var(--bs-border-width) solid var(--bs-alert-border-color);--bs-alert-border-radius:var(--bs-border-radius);--bs-alert-link-color:inherit;background-color:var(--bs-alert-bg);border:var(--bs-alert-border);border-radius:var(--bs-alert-border-radius);color:var(--bs-alert-color);margin-bottom:var(--bs-alert-margin-bottom);padding:var(--bs-alert-padding-y) var(--bs-alert-padding-x);position:relative}.alert-heading{color:inherit}.alert-link{color:var(--bs-alert-link-color);font-weight:700}.alert-dismissible{padding-right:3rem}.alert-dismissible .btn-close{padding:1.25rem 1rem;position:absolute;right:0;top:0;z-index:2}.alert-primary{--bs-alert-color:var(--bs-primary-text-emphasis);--bs-alert-bg:var(--bs-primary-bg-subtle);--bs-alert-border-color:var(--bs-primary-border-subtle);--bs-alert-link-color:var(--bs-primary-text-emphasis)}.alert-secondary{--bs-alert-color:var(--bs-secondary-text-emphasis);--bs-alert-bg:var(--bs-secondary-bg-subtle);--bs-alert-border-color:var(--bs-secondary-border-subtle);--bs-alert-link-color:var(--bs-secondary-text-emphasis)}.alert-success{--bs-alert-color:var(--bs-success-text-emphasis);--bs-alert-bg:var(--bs-success-bg-subtle);--bs-alert-border-color:var(--bs-success-border-subtle);--bs-alert-link-color:var(--bs-success-text-emphasis)}.alert-info{--bs-alert-color:var(--bs-info-text-emphasis);--bs-alert-bg:var(--bs-info-bg-subtle);--bs-alert-border-color:var(--bs-info-border-subtle);--bs-alert-link-color:var(--bs-info-text-emphasis)}.alert-warning{--bs-alert-color:var(--bs-warning-text-emphasis);--bs-alert-bg:var(--bs-warning-bg-subtle);--bs-alert-border-color:var(--bs-warning-border-subtle);--bs-alert-link-color:var(--bs-warning-text-emphasis)}.alert-danger{--bs-alert-color:var(--bs-danger-text-emphasis);--bs-alert-bg:var(--bs-danger-bg-subtle);--bs-alert-border-color:var(--bs-danger-border-subtle);--bs-alert-link-color:var(--bs-danger-text-emphasis)}.alert-light{--bs-alert-color:var(--bs-light-text-emphasis);--bs-alert-bg:var(--bs-light-bg-subtle);--bs-alert-border-color:var(--bs-light-border-subtle);--bs-alert-link-color:var(--bs-light-text-emphasis)}.alert-dark{--bs-alert-color:var(--bs-dark-text-emphasis);--bs-alert-bg:var(--bs-dark-bg-subtle);--bs-alert-border-color:var(--bs-dark-border-subtle);--bs-alert-link-color:var(--bs-dark-text-emphasis)}@keyframes progress-bar-stripes{0%{background-position-x:1rem}}.progress,.progress-stacked{--bs-progress-height:1rem;--bs-progress-font-size:0.75rem;--bs-progress-bg:var(--bs-secondary-bg);--bs-progress-border-radius:var(--bs-border-radius);--bs-progress-box-shadow:var(--bs-box-shadow-inset);--bs-progress-bar-color:#fff;--bs-progress-bar-bg:#0d6efd;--bs-progress-bar-transition:width 0.6s ease;background-color:var(--bs-progress-bg);border-radius:var(--bs-progress-border-radius);display:flex;font-size:var(--bs-progress-font-size);height:var(--bs-progress-height);overflow:hidden}.progress-bar{background-color:var(--bs-progress-bar-bg);color:var(--bs-progress-bar-color);display:flex;flex-direction:column;justify-content:center;overflow:hidden;text-align:center;transition:var(--bs-progress-bar-transition);white-space:nowrap}@media(prefers-reduced-motion:reduce){.progress-bar{transition:none}}.progress-bar-striped{background-image:linear-gradient(45deg,hsla(0,0%,100%,.15) 25%,transparent 0,transparent 50%,hsla(0,0%,100%,.15) 0,hsla(0,0%,100%,.15) 75%,transparent 0,transparent);background-size:var(--bs-progress-height) var(--bs-progress-height)}.progress-stacked>.progress{overflow:visible}.progress-stacked>.progress>.progress-bar{width:100%}.progress-bar-animated{animation:progress-bar-stripes 1s linear infinite}@media(prefers-reduced-motion:reduce){.progress-bar-animated{animation:none}}.list-group{--bs-list-group-color:var(--bs-body-color);--bs-list-group-bg:var(--bs-body-bg);--bs-list-group-border-color:var(--bs-border-color);--bs-list-group-border-width:var(--bs-border-width);--bs-list-group-border-radius:var(--bs-border-radius);--bs-list-group-item-padding-x:1rem;--bs-list-group-item-padding-y:0.5rem;--bs-list-group-action-color:var(--bs-secondary-color);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-tertiary-bg);--bs-list-group-action-active-color:var(--bs-body-color);--bs-list-group-action-active-bg:var(--bs-secondary-bg);--bs-list-group-disabled-color:var(--bs-secondary-color);--bs-list-group-disabled-bg:var(--bs-body-bg);--bs-list-group-active-color:#fff;--bs-list-group-active-bg:#0d6efd;--bs-list-group-active-border-color:#0d6efd;border-radius:var(--bs-list-group-border-radius);display:flex;flex-direction:column;margin-bottom:0;padding-left:0}.list-group-numbered{counter-reset:section;list-style-type:none}.list-group-numbered>.list-group-item:before{content:counters(section,".") ". ";counter-increment:section}.list-group-item-action{color:var(--bs-list-group-action-color);text-align:inherit;width:100%}.list-group-item-action:focus,.list-group-item-action:hover{background-color:var(--bs-list-group-action-hover-bg);color:var(--bs-list-group-action-hover-color);text-decoration:none;z-index:1}.list-group-item-action:active{background-color:var(--bs-list-group-action-active-bg);color:var(--bs-list-group-action-active-color)}.list-group-item{background-color:var(--bs-list-group-bg);border:var(--bs-list-group-border-width) solid var(--bs-list-group-border-color);color:var(--bs-list-group-color);display:block;padding:var(--bs-list-group-item-padding-y) var(--bs-list-group-item-padding-x);position:relative;text-decoration:none}.list-group-item:first-child{border-top-left-radius:inherit;border-top-right-radius:inherit}.list-group-item:last-child{border-bottom-left-radius:inherit;border-bottom-right-radius:inherit}.list-group-item.disabled,.list-group-item:disabled{background-color:var(--bs-list-group-disabled-bg);color:var(--bs-list-group-disabled-color);pointer-events:none}.list-group-item.active{background-color:var(--bs-list-group-active-bg);border-color:var(--bs-list-group-active-border-color);color:var(--bs-list-group-active-color);z-index:2}.list-group-item+.list-group-item{border-top-width:0}.list-group-item+.list-group-item.active{border-top-width:var(--bs-list-group-border-width);margin-top:calc(var(--bs-list-group-border-width)*-1)}.list-group-horizontal{flex-direction:row}.list-group-horizontal>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal>.list-group-item:last-child:not(:first-child){border-bottom-left-radius:0;border-top-right-radius:var(--bs-list-group-border-radius)}.list-group-horizontal>.list-group-item.active{margin-top:0}.list-group-horizontal>.list-group-item+.list-group-item{border-left-width:0;border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal>.list-group-item+.list-group-item.active{border-left-width:var(--bs-list-group-border-width);margin-left:calc(var(--bs-list-group-border-width)*-1)}@media(min-width:540px){.list-group-horizontal-sm{flex-direction:row}.list-group-horizontal-sm>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-sm>.list-group-item:last-child:not(:first-child){border-bottom-left-radius:0;border-top-right-radius:var(--bs-list-group-border-radius)}.list-group-horizontal-sm>.list-group-item.active{margin-top:0}.list-group-horizontal-sm>.list-group-item+.list-group-item{border-left-width:0;border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal-sm>.list-group-item+.list-group-item.active{border-left-width:var(--bs-list-group-border-width);margin-left:calc(var(--bs-list-group-border-width)*-1)}}@media(min-width:720px){.list-group-horizontal-md{flex-direction:row}.list-group-horizontal-md>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-md>.list-group-item:last-child:not(:first-child){border-bottom-left-radius:0;border-top-right-radius:var(--bs-list-group-border-radius)}.list-group-horizontal-md>.list-group-item.active{margin-top:0}.list-group-horizontal-md>.list-group-item+.list-group-item{border-left-width:0;border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal-md>.list-group-item+.list-group-item.active{border-left-width:var(--bs-list-group-border-width);margin-left:calc(var(--bs-list-group-border-width)*-1)}}@media(min-width:960px){.list-group-horizontal-lg{flex-direction:row}.list-group-horizontal-lg>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-lg>.list-group-item:last-child:not(:first-child){border-bottom-left-radius:0;border-top-right-radius:var(--bs-list-group-border-radius)}.list-group-horizontal-lg>.list-group-item.active{margin-top:0}.list-group-horizontal-lg>.list-group-item+.list-group-item{border-left-width:0;border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal-lg>.list-group-item+.list-group-item.active{border-left-width:var(--bs-list-group-border-width);margin-left:calc(var(--bs-list-group-border-width)*-1)}}@media(min-width:1200px){.list-group-horizontal-xl{flex-direction:row}.list-group-horizontal-xl>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-xl>.list-group-item:last-child:not(:first-child){border-bottom-left-radius:0;border-top-right-radius:var(--bs-list-group-border-radius)}.list-group-horizontal-xl>.list-group-item.active{margin-top:0}.list-group-horizontal-xl>.list-group-item+.list-group-item{border-left-width:0;border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal-xl>.list-group-item+.list-group-item.active{border-left-width:var(--bs-list-group-border-width);margin-left:calc(var(--bs-list-group-border-width)*-1)}}.list-group-flush{border-radius:0}.list-group-flush>.list-group-item{border-width:0 0 var(--bs-list-group-border-width)}.list-group-flush>.list-group-item:last-child{border-bottom-width:0}.list-group-item-primary{--bs-list-group-color:var(--bs-primary-text-emphasis);--bs-list-group-bg:var(--bs-primary-bg-subtle);--bs-list-group-border-color:var(--bs-primary-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-primary-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-primary-border-subtle);--bs-list-group-active-color:var(--bs-primary-bg-subtle);--bs-list-group-active-bg:var(--bs-primary-text-emphasis);--bs-list-group-active-border-color:var(--bs-primary-text-emphasis)}.list-group-item-secondary{--bs-list-group-color:var(--bs-secondary-text-emphasis);--bs-list-group-bg:var(--bs-secondary-bg-subtle);--bs-list-group-border-color:var(--bs-secondary-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-secondary-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-secondary-border-subtle);--bs-list-group-active-color:var(--bs-secondary-bg-subtle);--bs-list-group-active-bg:var(--bs-secondary-text-emphasis);--bs-list-group-active-border-color:var(--bs-secondary-text-emphasis)}.list-group-item-success{--bs-list-group-color:var(--bs-success-text-emphasis);--bs-list-group-bg:var(--bs-success-bg-subtle);--bs-list-group-border-color:var(--bs-success-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-success-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-success-border-subtle);--bs-list-group-active-color:var(--bs-success-bg-subtle);--bs-list-group-active-bg:var(--bs-success-text-emphasis);--bs-list-group-active-border-color:var(--bs-success-text-emphasis)}.list-group-item-info{--bs-list-group-color:var(--bs-info-text-emphasis);--bs-list-group-bg:var(--bs-info-bg-subtle);--bs-list-group-border-color:var(--bs-info-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-info-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-info-border-subtle);--bs-list-group-active-color:var(--bs-info-bg-subtle);--bs-list-group-active-bg:var(--bs-info-text-emphasis);--bs-list-group-active-border-color:var(--bs-info-text-emphasis)}.list-group-item-warning{--bs-list-group-color:var(--bs-warning-text-emphasis);--bs-list-group-bg:var(--bs-warning-bg-subtle);--bs-list-group-border-color:var(--bs-warning-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-warning-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-warning-border-subtle);--bs-list-group-active-color:var(--bs-warning-bg-subtle);--bs-list-group-active-bg:var(--bs-warning-text-emphasis);--bs-list-group-active-border-color:var(--bs-warning-text-emphasis)}.list-group-item-danger{--bs-list-group-color:var(--bs-danger-text-emphasis);--bs-list-group-bg:var(--bs-danger-bg-subtle);--bs-list-group-border-color:var(--bs-danger-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-danger-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-danger-border-subtle);--bs-list-group-active-color:var(--bs-danger-bg-subtle);--bs-list-group-active-bg:var(--bs-danger-text-emphasis);--bs-list-group-active-border-color:var(--bs-danger-text-emphasis)}.list-group-item-light{--bs-list-group-color:var(--bs-light-text-emphasis);--bs-list-group-bg:var(--bs-light-bg-subtle);--bs-list-group-border-color:var(--bs-light-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-light-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-light-border-subtle);--bs-list-group-active-color:var(--bs-light-bg-subtle);--bs-list-group-active-bg:var(--bs-light-text-emphasis);--bs-list-group-active-border-color:var(--bs-light-text-emphasis)}.list-group-item-dark{--bs-list-group-color:var(--bs-dark-text-emphasis);--bs-list-group-bg:var(--bs-dark-bg-subtle);--bs-list-group-border-color:var(--bs-dark-border-subtle);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-dark-border-subtle);--bs-list-group-action-active-color:var(--bs-emphasis-color);--bs-list-group-action-active-bg:var(--bs-dark-border-subtle);--bs-list-group-active-color:var(--bs-dark-bg-subtle);--bs-list-group-active-bg:var(--bs-dark-text-emphasis);--bs-list-group-active-border-color:var(--bs-dark-text-emphasis)}.btn-close{--bs-btn-close-color:#000;--bs-btn-close-bg:url("data:image/svg+xml;charset=utf-8,%3Csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'%3E%3Cpath d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/%3E%3C/svg%3E");--bs-btn-close-opacity:0.5;--bs-btn-close-hover-opacity:0.75;--bs-btn-close-focus-shadow:0 0 0 0.25rem rgba(13,110,253,.25);--bs-btn-close-focus-opacity:1;--bs-btn-close-disabled-opacity:0.25;--bs-btn-close-white-filter:invert(1) grayscale(100%) brightness(200%);background:transparent var(--bs-btn-close-bg) center/1em auto no-repeat;border:0;border-radius:.375rem;box-sizing:content-box;height:1em;opacity:var(--bs-btn-close-opacity);padding:.25em;width:1em}.btn-close,.btn-close:hover{color:var(--bs-btn-close-color)}.btn-close:hover{opacity:var(--bs-btn-close-hover-opacity);text-decoration:none}.btn-close:focus{box-shadow:var(--bs-btn-close-focus-shadow);opacity:var(--bs-btn-close-focus-opacity);outline:0}.btn-close.disabled,.btn-close:disabled{opacity:var(--bs-btn-close-disabled-opacity);pointer-events:none;user-select:none}.btn-close-white,[data-bs-theme=dark] .btn-close{filter:var(--bs-btn-close-white-filter)}.toast{--bs-toast-zindex:1090;--bs-toast-padding-x:0.75rem;--bs-toast-padding-y:0.5rem;--bs-toast-spacing:1.5rem;--bs-toast-max-width:350px;--bs-toast-font-size:0.875rem;--bs-toast-color: ;--bs-toast-bg:rgba(var(--bs-body-bg-rgb),0.85);--bs-toast-border-width:var(--bs-border-width);--bs-toast-border-color:var(--bs-border-color-translucent);--bs-toast-border-radius:var(--bs-border-radius);--bs-toast-box-shadow:var(--bs-box-shadow);--bs-toast-header-color:var(--bs-secondary-color);--bs-toast-header-bg:rgba(var(--bs-body-bg-rgb),0.85);--bs-toast-header-border-color:var(--bs-border-color-translucent);background-clip:padding-box;background-color:var(--bs-toast-bg);border:var(--bs-toast-border-width) solid 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;--bs-breadcrumb-divider-color:var(--bs-secondary-color);--bs-breadcrumb-item-padding-x:0.5rem;--bs-breadcrumb-item-active-color:var(--bs-secondary-color);background-color:var(--bs-breadcrumb-bg);border-radius:var(--bs-breadcrumb-border-radius);display:flex;flex-wrap:wrap;font-size:var(--bs-breadcrumb-font-size);list-style:none;margin-bottom:var(--bs-breadcrumb-margin-bottom);padding:var(--bs-breadcrumb-padding-y) var(--bs-breadcrumb-padding-x)}.breadcrumb-item+.breadcrumb-item{padding-left:var(--bs-breadcrumb-item-padding-x)}.breadcrumb-item+.breadcrumb-item:before{color:var(--bs-breadcrumb-divider-color);content:var(--bs-breadcrumb-divider,"/");float:left;padding-right:var(--bs-breadcrumb-item-padding-x)}.breadcrumb-item.active{color:var(--bs-breadcrumb-item-active-color)}.pagination{--bs-pagination-padding-x:0.75rem;--bs-pagination-padding-y:0.375rem;--bs-pagination-font-size:1rem;--bs-pagination-color:var(--bs-link-color);--bs-pagination-bg:var(--bs-body-bg);--bs-pagination-border-width:var(--bs-border-width);--bs-pagination-border-color:var(--bs-border-color);--bs-pagination-border-radius:var(--bs-border-radius);--bs-pagination-hover-color:var(--bs-link-hover-color);--bs-pagination-hover-bg:var(--bs-tertiary-bg);--bs-pagination-hover-border-color:var(--bs-border-color);--bs-pagination-focus-color:var(--bs-link-hover-color);--bs-pagination-focus-bg:var(--bs-secondary-bg);--bs-pagination-focus-box-shadow:0 0 0 0.1875rem var(--pst-color-accent);--bs-pagination-active-color:#fff;--bs-pagination-active-bg:#0d6efd;--bs-pagination-active-border-color:#0d6efd;--bs-pagination-disabled-color:var(--bs-secondary-color);--bs-pagination-disabled-bg:var(--bs-secondary-bg);--bs-pagination-disabled-border-color:var(--bs-border-color);display:flex;list-style:none;padding-left:0}.page-link{background-color:var(--bs-pagination-bg);border:var(--bs-pagination-border-width) solid var(--bs-pagination-border-color);color:var(--bs-pagination-color);display:block;font-size:var(--bs-pagination-font-size);padding:var(--bs-pagination-padding-y) var(--bs-pagination-padding-x);position:relative;text-decoration:none;transition:color .15s ease-in-out,background-color .15s ease-in-out,border-color .15s ease-in-out,box-shadow .15s ease-in-out}@media(prefers-reduced-motion:reduce){.page-link{transition:none}}.page-link:hover{background-color:var(--bs-pagination-hover-bg);border-color:var(--bs-pagination-hover-border-color);color:var(--bs-pagination-hover-color);z-index:2}.page-link:focus{background-color:var(--bs-pagination-focus-bg);box-shadow:var(--bs-pagination-focus-box-shadow);color:var(--bs-pagination-focus-color);outline:0;z-index:3}.active>.page-link,.page-link.active{background-color:var(--bs-pagination-active-bg);border-color:var(--bs-pagination-active-border-color);color:var(--bs-pagination-active-color);z-index:3}.disabled>.page-link,.page-link.disabled{background-color:var(--bs-pagination-disabled-bg);border-color:var(--bs-pagination-disabled-border-color);color:var(--bs-pagination-disabled-color);pointer-events:none}.page-item:not(:first-child) .page-link{margin-left:calc(var(--bs-border-width)*-1)}.page-item:first-child .page-link{border-bottom-left-radius:var(--bs-pagination-border-radius);border-top-left-radius:var(--bs-pagination-border-radius)}.page-item:last-child .page-link{border-bottom-right-radius:var(--bs-pagination-border-radius);border-top-right-radius:var(--bs-pagination-border-radius)}.pagination-lg{--bs-pagination-padding-x:1.5rem;--bs-pagination-padding-y:0.75rem;--bs-pagination-font-size:1.25rem;--bs-pagination-border-radius:var(--bs-border-radius-lg)}.pagination-sm{--bs-pagination-padding-x:0.5rem;--bs-pagination-padding-y:0.25rem;--bs-pagination-font-size:0.875rem;--bs-pagination-border-radius:var(--bs-border-radius-sm)}.badge{--bs-badge-padding-x:0.65em;--bs-badge-padding-y:0.35em;--bs-badge-font-size:0.75em;--bs-badge-font-weight:700;--bs-badge-color:#fff;--bs-badge-border-radius:var(--bs-border-radius);border-radius:var(--bs-badge-border-radius);color:var(--bs-badge-color);display:inline-block;font-size:var(--bs-badge-font-size);font-weight:var(--bs-badge-font-weight);line-height:1;padding:var(--bs-badge-padding-y) var(--bs-badge-padding-x);text-align:center;vertical-align:baseline;white-space:nowrap}.badge:empty{display:none}.btn .badge{position:relative;top:-1px}.alert{--bs-alert-bg:transparent;--bs-alert-padding-x:1rem;--bs-alert-padding-y:1rem;--bs-alert-margin-bottom:1rem;--bs-alert-color:inherit;--bs-alert-border-color:transparent;--bs-alert-border:var(--bs-border-width) solid var(--bs-alert-border-color);--bs-alert-border-radius:var(--bs-border-radius);--bs-alert-link-color:inherit;background-color:var(--bs-alert-bg);border:var(--bs-alert-border);border-radius:var(--bs-alert-border-radius);color:var(--bs-alert-color);margin-bottom:var(--bs-alert-margin-bottom);padding:var(--bs-alert-padding-y) var(--bs-alert-padding-x);position:relative}.alert-heading{color:inherit}.alert-link{color:var(--bs-alert-link-color);font-weight:700}.alert-dismissible{padding-right:3rem}.alert-dismissible .btn-close{padding:1.25rem 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progress-bar-stripes{0%{background-position-x:1rem}}.progress,.progress-stacked{--bs-progress-height:1rem;--bs-progress-font-size:0.75rem;--bs-progress-bg:var(--bs-secondary-bg);--bs-progress-border-radius:var(--bs-border-radius);--bs-progress-box-shadow:var(--bs-box-shadow-inset);--bs-progress-bar-color:#fff;--bs-progress-bar-bg:#0d6efd;--bs-progress-bar-transition:width 0.6s ease;background-color:var(--bs-progress-bg);border-radius:var(--bs-progress-border-radius);display:flex;font-size:var(--bs-progress-font-size);height:var(--bs-progress-height);overflow:hidden}.progress-bar{background-color:var(--bs-progress-bar-bg);color:var(--bs-progress-bar-color);display:flex;flex-direction:column;justify-content:center;overflow:hidden;text-align:center;transition:var(--bs-progress-bar-transition);white-space:nowrap}@media(prefers-reduced-motion:reduce){.progress-bar{transition:none}}.progress-bar-striped{background-image:linear-gradient(45deg,hsla(0,0%,100%,.15) 25%,transparent 0,transparent 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infinite}@media(prefers-reduced-motion:reduce){.progress-bar-animated{animation:none}}.list-group{--bs-list-group-color:var(--bs-body-color);--bs-list-group-bg:var(--bs-body-bg);--bs-list-group-border-color:var(--bs-border-color);--bs-list-group-border-width:var(--bs-border-width);--bs-list-group-border-radius:var(--bs-border-radius);--bs-list-group-item-padding-x:1rem;--bs-list-group-item-padding-y:0.5rem;--bs-list-group-action-color:var(--bs-secondary-color);--bs-list-group-action-hover-color:var(--bs-emphasis-color);--bs-list-group-action-hover-bg:var(--bs-tertiary-bg);--bs-list-group-action-active-color:var(--bs-body-color);--bs-list-group-action-active-bg:var(--bs-secondary-bg);--bs-list-group-disabled-color:var(--bs-secondary-color);--bs-list-group-disabled-bg:var(--bs-body-bg);--bs-list-group-active-color:#fff;--bs-list-group-active-bg:#0d6efd;--bs-list-group-active-border-color:#0d6efd;border-radius:var(--bs-list-group-border-radius);display:flex;flex-direction:column;margin-bottom:0;padding-left:0}.list-group-numbered{counter-reset:section;list-style-type:none}.list-group-numbered>.list-group-item:before{content:counters(section,".") 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";counter-increment:section}.list-group-item-action{color:var(--bs-list-group-action-color);text-align:inherit;width:100%}.list-group-item-action:focus,.list-group-item-action:hover{background-color:var(--bs-list-group-action-hover-bg);color:var(--bs-list-group-action-hover-color);text-decoration:none;z-index:1}.list-group-item-action:active{background-color:var(--bs-list-group-action-active-bg);color:var(--bs-list-group-action-active-color)}.list-group-item{background-color:var(--bs-list-group-bg);border:var(--bs-list-group-border-width) solid var(--bs-list-group-border-color);color:var(--bs-list-group-color);display:block;padding:var(--bs-list-group-item-padding-y) 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0)}.dropdown-item:hover,.dropdown-item:focus{color:var(--bs-dropdown-link-hover-color);background-color:var(--bs-dropdown-link-hover-bg)}.dropdown-item.active,.dropdown-item:active{color:var(--bs-dropdown-link-active-color);text-decoration:none;background-color:var(--bs-dropdown-link-active-bg)}.dropdown-item.disabled,.dropdown-item:disabled{color:var(--bs-dropdown-link-disabled-color);pointer-events:none;background-color:rgba(0,0,0,0)}.dropdown-menu.show{display:block}.dropdown-header{display:block;padding:var(--bs-dropdown-header-padding-y) var(--bs-dropdown-header-padding-x);margin-bottom:0;font-size:0.875rem;color:var(--bs-dropdown-header-color);white-space:nowrap}.dropdown-item-text{display:block;padding:var(--bs-dropdown-item-padding-y) var(--bs-dropdown-item-padding-x);color:var(--bs-dropdown-link-color)}.dropdown-menu-dark{--bs-dropdown-color: #dee2e6;--bs-dropdown-bg: #343a40;--bs-dropdown-border-color: var(--bs-border-color-translucent);--bs-dropdown-box-shadow: ;--bs-dropdown-link-color: #dee2e6;--bs-dropdown-link-hover-color: #fff;--bs-dropdown-divider-bg: var(--bs-border-color-translucent);--bs-dropdown-link-hover-bg: var(--pst-color-surface);--bs-dropdown-link-active-color: #fff;--bs-dropdown-link-active-bg: var(--pst-color-surface);--bs-dropdown-link-disabled-color: #adb5bd;--bs-dropdown-header-color: #adb5bd}.btn-group,.btn-group-vertical{position:relative;display:inline-flex;vertical-align:middle}.btn-group>.btn,.btn-group-vertical>.btn{position:relative;flex:1 1 auto}.btn-group>.btn-check:checked+.btn,.btn-group>.btn-check:focus+.btn,.btn-group>.btn:hover,.btn-group>.btn:focus,.btn-group>.btn:active,.btn-group>.btn.active,.btn-group-vertical>.btn-check:checked+.btn,.btn-group-vertical>.btn-check:focus+.btn,.btn-group-vertical>.btn:hover,.btn-group-vertical>.btn:focus,.btn-group-vertical>.btn:active,.btn-group-vertical>.btn.active{z-index:1}.btn-toolbar{display:flex;flex-wrap:wrap;justify-content:flex-start}.btn-toolbar .input-group{width:auto}.btn-group{border-radius:var(--bs-border-radius)}.btn-group>:not(.btn-check:first-child)+.btn,.btn-group>.btn-group:not(:first-child){margin-left:calc(var(--bs-border-width)*-1)}.btn-group>.btn:not(:last-child):not(.dropdown-toggle),.btn-group>.btn.dropdown-toggle-split:first-child,.btn-group>.btn-group:not(:last-child)>.btn{border-top-right-radius:0;border-bottom-right-radius:0}.btn-group>.btn:nth-child(n+3),.btn-group>:not(.btn-check)+.btn,.btn-group>.btn-group:not(:first-child)>.btn{border-top-left-radius:0;border-bottom-left-radius:0}.dropdown-toggle-split{padding-right:.5625rem;padding-left:.5625rem}.dropdown-toggle-split::after,.dropup .dropdown-toggle-split::after,.dropend .dropdown-toggle-split::after{margin-left:0}.dropstart .dropdown-toggle-split::before{margin-right:0}.btn-sm+.dropdown-toggle-split,.btn-group-sm>.btn+.dropdown-toggle-split{padding-right:.375rem;padding-left:.375rem}.btn-lg+.dropdown-toggle-split,.btn-group-lg>.btn+.dropdown-toggle-split{padding-right:.75rem;padding-left:.75rem}.btn-group-vertical{flex-direction:column;align-items:flex-start;justify-content:center}.btn-group-vertical>.btn,.btn-group-vertical>.btn-group{width:100%}.btn-group-vertical>.btn:not(:first-child),.btn-group-vertical>.btn-group:not(:first-child){margin-top:calc(var(--bs-border-width)*-1)}.btn-group-vertical>.btn:not(:last-child):not(.dropdown-toggle),.btn-group-vertical>.btn-group:not(:last-child)>.btn{border-bottom-right-radius:0;border-bottom-left-radius:0}.btn-group-vertical>.btn~.btn,.btn-group-vertical>.btn-group:not(:first-child)>.btn{border-top-left-radius:0;border-top-right-radius:0}.nav{--bs-nav-link-padding-x: 1rem;--bs-nav-link-padding-y: 0.5rem;--bs-nav-link-font-weight: ;--bs-nav-link-color: 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1.25rem;--bs-navbar-brand-color: rgba(var(--bs-emphasis-color-rgb), 1);--bs-navbar-brand-hover-color: rgba(var(--bs-emphasis-color-rgb), 1);--bs-navbar-nav-link-padding-x: 0.5rem;--bs-navbar-toggler-padding-y: 0.25rem;--bs-navbar-toggler-padding-x: 0.75rem;--bs-navbar-toggler-font-size: 1.25rem;--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%2833, 37, 41, 0.75%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\");--bs-navbar-toggler-border-color: rgba(var(--bs-emphasis-color-rgb), 0.15);--bs-navbar-toggler-border-radius: var(--bs-border-radius);--bs-navbar-toggler-focus-width: 0.25rem;--bs-navbar-toggler-transition: box-shadow 0.15s ease-in-out;position:relative;display:flex;flex-wrap:wrap;align-items:center;justify-content:space-between;padding:var(--bs-navbar-padding-y) 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.offcanvas-body{display:flex;flex-grow:0;padding:0;overflow-y:visible}}.navbar-expand{flex-wrap:nowrap;justify-content:flex-start}.navbar-expand .navbar-nav{flex-direction:row}.navbar-expand .navbar-nav .dropdown-menu{position:absolute}.navbar-expand .navbar-nav .nav-link{padding-right:var(--bs-navbar-nav-link-padding-x);padding-left:var(--bs-navbar-nav-link-padding-x)}.navbar-expand .navbar-nav-scroll{overflow:visible}.navbar-expand .navbar-collapse{display:flex !important;flex-basis:auto}.navbar-expand .navbar-toggler{display:none}.navbar-expand .offcanvas{position:static;z-index:auto;flex-grow:1;width:auto !important;height:auto !important;visibility:visible !important;background-color:rgba(0,0,0,0) !important;border:0 !important;transform:none !important;transition:none}.navbar-expand .offcanvas .offcanvas-header{display:none}.navbar-expand .offcanvas .offcanvas-body{display:flex;flex-grow:0;padding:0;overflow-y:visible}.navbar-dark,.navbar[data-bs-theme=dark]{--bs-navbar-color: rgba(255, 255, 255, 0.55);--bs-navbar-hover-color: rgba(255, 255, 255, 0.75);--bs-navbar-disabled-color: rgba(255, 255, 255, 0.25);--bs-navbar-active-color: #fff;--bs-navbar-brand-color: #fff;--bs-navbar-brand-hover-color: #fff;--bs-navbar-toggler-border-color: rgba(255, 255, 255, 0.1);--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%28255, 255, 255, 0.55%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\")}[data-bs-theme=dark] .navbar-toggler-icon{--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%28255, 255, 255, 0.55%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\")}.card{--bs-card-spacer-y: 1rem;--bs-card-spacer-x: 1rem;--bs-card-title-spacer-y: 0.5rem;--bs-card-title-color: ;--bs-card-subtitle-color: ;--bs-card-border-width: var(--bs-border-width);--bs-card-border-color: var(--bs-border-color-translucent);--bs-card-border-radius: var(--bs-border-radius);--bs-card-box-shadow: ;--bs-card-inner-border-radius: calc(var(--bs-border-radius) - (var(--bs-border-width)));--bs-card-cap-padding-y: 0.5rem;--bs-card-cap-padding-x: 1rem;--bs-card-cap-bg: rgba(var(--bs-body-color-rgb), 0.03);--bs-card-cap-color: ;--bs-card-height: ;--bs-card-color: ;--bs-card-bg: var(--bs-body-bg);--bs-card-img-overlay-padding: 1rem;--bs-card-group-margin: 0.75rem;position:relative;display:flex;flex-direction:column;min-width:0;height:var(--bs-card-height);color:var(--bs-body-color);word-wrap:break-word;background-color:var(--bs-card-bg);background-clip:border-box;border:var(--bs-card-border-width) solid var(--bs-card-border-color);border-radius:var(--bs-card-border-radius)}.card>hr{margin-right:0;margin-left:0}.card>.list-group{border-top:inherit;border-bottom:inherit}.card>.list-group:first-child{border-top-width:0;border-top-left-radius:var(--bs-card-inner-border-radius);border-top-right-radius:var(--bs-card-inner-border-radius)}.card>.list-group:last-child{border-bottom-width:0;border-bottom-right-radius:var(--bs-card-inner-border-radius);border-bottom-left-radius:var(--bs-card-inner-border-radius)}.card>.card-header+.list-group,.card>.list-group+.card-footer{border-top:0}.card-body{flex:1 1 auto;padding:var(--bs-card-spacer-y) var(--bs-card-spacer-x);color:var(--bs-card-color)}.card-title{margin-bottom:var(--bs-card-title-spacer-y);color:var(--bs-card-title-color)}.card-subtitle{margin-top:calc(-0.5*var(--bs-card-title-spacer-y));margin-bottom:0;color:var(--bs-card-subtitle-color)}.card-text:last-child{margin-bottom:0}.card-link+.card-link{margin-left:var(--bs-card-spacer-x)}.card-header{padding:var(--bs-card-cap-padding-y) var(--bs-card-cap-padding-x);margin-bottom:0;color:var(--bs-card-cap-color);background-color:var(--bs-card-cap-bg);border-bottom:var(--bs-card-border-width) solid var(--bs-card-border-color)}.card-header:first-child{border-radius:var(--bs-card-inner-border-radius) var(--bs-card-inner-border-radius) 0 0}.card-footer{padding:var(--bs-card-cap-padding-y) var(--bs-card-cap-padding-x);color:var(--bs-card-cap-color);background-color:var(--bs-card-cap-bg);border-top:var(--bs-card-border-width) solid var(--bs-card-border-color)}.card-footer:last-child{border-radius:0 0 var(--bs-card-inner-border-radius) var(--bs-card-inner-border-radius)}.card-header-tabs{margin-right:calc(-0.5*var(--bs-card-cap-padding-x));margin-bottom:calc(-1*var(--bs-card-cap-padding-y));margin-left:calc(-0.5*var(--bs-card-cap-padding-x));border-bottom:0}.card-header-tabs .nav-link.active{background-color:var(--bs-card-bg);border-bottom-color:var(--bs-card-bg)}.card-header-pills{margin-right:calc(-0.5*var(--bs-card-cap-padding-x));margin-left:calc(-0.5*var(--bs-card-cap-padding-x))}.card-img-overlay{position:absolute;top:0;right:0;bottom:0;left:0;padding:var(--bs-card-img-overlay-padding);border-radius:var(--bs-card-inner-border-radius)}.card-img,.card-img-top,.card-img-bottom{width:100%}.card-img,.card-img-top{border-top-left-radius:var(--bs-card-inner-border-radius);border-top-right-radius:var(--bs-card-inner-border-radius)}.card-img,.card-img-bottom{border-bottom-right-radius:var(--bs-card-inner-border-radius);border-bottom-left-radius:var(--bs-card-inner-border-radius)}.card-group>.card{margin-bottom:var(--bs-card-group-margin)}@media(min-width: 540px){.card-group{display:flex;flex-flow:row wrap}.card-group>.card{flex:1 0 0%;margin-bottom:0}.card-group>.card+.card{margin-left:0;border-left:0}.card-group>.card:not(:last-child){border-top-right-radius:0;border-bottom-right-radius:0}.card-group>.card:not(:last-child) .card-img-top,.card-group>.card:not(:last-child) .card-header{border-top-right-radius:0}.card-group>.card:not(:last-child) .card-img-bottom,.card-group>.card:not(:last-child) .card-footer{border-bottom-right-radius:0}.card-group>.card:not(:first-child){border-top-left-radius:0;border-bottom-left-radius:0}.card-group>.card:not(:first-child) .card-img-top,.card-group>.card:not(:first-child) .card-header{border-top-left-radius:0}.card-group>.card:not(:first-child) .card-img-bottom,.card-group>.card:not(:first-child) .card-footer{border-bottom-left-radius:0}}.accordion{--bs-accordion-color: var(--bs-body-color);--bs-accordion-bg: var(--bs-body-bg);--bs-accordion-transition: color 0.15s ease-in-out, background-color 0.15s ease-in-out, border-color 0.15s ease-in-out, box-shadow 0.15s ease-in-out, border-radius 0.15s ease;--bs-accordion-border-color: var(--bs-border-color);--bs-accordion-border-width: var(--bs-border-width);--bs-accordion-border-radius: var(--bs-border-radius);--bs-accordion-inner-border-radius: calc(var(--bs-border-radius) - (var(--bs-border-width)));--bs-accordion-btn-padding-x: 1.25rem;--bs-accordion-btn-padding-y: 1rem;--bs-accordion-btn-color: var(--bs-body-color);--bs-accordion-btn-bg: var(--bs-accordion-bg);--bs-accordion-btn-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%23212529'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\");--bs-accordion-btn-icon-width: 1.25rem;--bs-accordion-btn-icon-transform: rotate(-180deg);--bs-accordion-btn-icon-transition: transform 0.2s ease-in-out;--bs-accordion-btn-active-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%23052c65'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\");--bs-accordion-btn-focus-border-color: #86b7fe;--bs-accordion-btn-focus-box-shadow: 0 0 0 0.25rem rgba(13, 110, 253, 0.25);--bs-accordion-body-padding-x: 1.25rem;--bs-accordion-body-padding-y: 1rem;--bs-accordion-active-color: var(--bs-primary-text-emphasis);--bs-accordion-active-bg: var(--bs-primary-bg-subtle)}.accordion-button{position:relative;display:flex;align-items:center;width:100%;padding:var(--bs-accordion-btn-padding-y) var(--bs-accordion-btn-padding-x);font-size:1rem;color:var(--bs-accordion-btn-color);text-align:left;background-color:var(--bs-accordion-btn-bg);border:0;border-radius:0;overflow-anchor:none;transition:var(--bs-accordion-transition)}@media(prefers-reduced-motion: reduce){.accordion-button{transition:none}}.accordion-button:not(.collapsed){color:var(--bs-accordion-active-color);background-color:var(--bs-accordion-active-bg);box-shadow:inset 0 calc(-1*var(--bs-accordion-border-width)) 0 var(--bs-accordion-border-color)}.accordion-button:not(.collapsed)::after{background-image:var(--bs-accordion-btn-active-icon);transform:var(--bs-accordion-btn-icon-transform)}.accordion-button::after{flex-shrink:0;width:var(--bs-accordion-btn-icon-width);height:var(--bs-accordion-btn-icon-width);margin-left:auto;content:\"\";background-image:var(--bs-accordion-btn-icon);background-repeat:no-repeat;background-size:var(--bs-accordion-btn-icon-width);transition:var(--bs-accordion-btn-icon-transition)}@media(prefers-reduced-motion: reduce){.accordion-button::after{transition:none}}.accordion-button:hover{z-index:2}.accordion-button:focus{z-index:3;border-color:var(--bs-accordion-btn-focus-border-color);outline:0;box-shadow:var(--bs-accordion-btn-focus-box-shadow)}.accordion-header{margin-bottom:0}.accordion-item{color:var(--bs-accordion-color);background-color:var(--bs-accordion-bg);border:var(--bs-accordion-border-width) solid var(--bs-accordion-border-color)}.accordion-item:first-of-type{border-top-left-radius:var(--bs-accordion-border-radius);border-top-right-radius:var(--bs-accordion-border-radius)}.accordion-item:first-of-type .accordion-button{border-top-left-radius:var(--bs-accordion-inner-border-radius);border-top-right-radius:var(--bs-accordion-inner-border-radius)}.accordion-item:not(:first-of-type){border-top:0}.accordion-item:last-of-type{border-bottom-right-radius:var(--bs-accordion-border-radius);border-bottom-left-radius:var(--bs-accordion-border-radius)}.accordion-item:last-of-type .accordion-button.collapsed{border-bottom-right-radius:var(--bs-accordion-inner-border-radius);border-bottom-left-radius:var(--bs-accordion-inner-border-radius)}.accordion-item:last-of-type .accordion-collapse{border-bottom-right-radius:var(--bs-accordion-border-radius);border-bottom-left-radius:var(--bs-accordion-border-radius)}.accordion-body{padding:var(--bs-accordion-body-padding-y) var(--bs-accordion-body-padding-x)}.accordion-flush .accordion-collapse{border-width:0}.accordion-flush .accordion-item{border-right:0;border-left:0;border-radius:0}.accordion-flush .accordion-item:first-child{border-top:0}.accordion-flush .accordion-item:last-child{border-bottom:0}.accordion-flush .accordion-item .accordion-button,.accordion-flush .accordion-item .accordion-button.collapsed{border-radius:0}[data-bs-theme=dark] .accordion-button::after{--bs-accordion-btn-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%236ea8fe'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\");--bs-accordion-btn-active-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%236ea8fe'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\")}.breadcrumb{--bs-breadcrumb-padding-x: 0;--bs-breadcrumb-padding-y: 0;--bs-breadcrumb-margin-bottom: 1rem;--bs-breadcrumb-bg: ;--bs-breadcrumb-border-radius: ;--bs-breadcrumb-divider-color: var(--bs-secondary-color);--bs-breadcrumb-item-padding-x: 0.5rem;--bs-breadcrumb-item-active-color: var(--bs-secondary-color);display:flex;flex-wrap:wrap;padding:var(--bs-breadcrumb-padding-y) var(--bs-breadcrumb-padding-x);margin-bottom:var(--bs-breadcrumb-margin-bottom);font-size:var(--bs-breadcrumb-font-size);list-style:none;background-color:var(--bs-breadcrumb-bg);border-radius:var(--bs-breadcrumb-border-radius)}.breadcrumb-item+.breadcrumb-item{padding-left:var(--bs-breadcrumb-item-padding-x)}.breadcrumb-item+.breadcrumb-item::before{float:left;padding-right:var(--bs-breadcrumb-item-padding-x);color:var(--bs-breadcrumb-divider-color);content:var(--bs-breadcrumb-divider, \"/\") /* rtl: var(--bs-breadcrumb-divider, \"/\") */}.breadcrumb-item.active{color:var(--bs-breadcrumb-item-active-color)}.pagination{--bs-pagination-padding-x: 0.75rem;--bs-pagination-padding-y: 0.375rem;--bs-pagination-font-size:1rem;--bs-pagination-color: var(--bs-link-color);--bs-pagination-bg: var(--bs-body-bg);--bs-pagination-border-width: var(--bs-border-width);--bs-pagination-border-color: var(--bs-border-color);--bs-pagination-border-radius: var(--bs-border-radius);--bs-pagination-hover-color: var(--bs-link-hover-color);--bs-pagination-hover-bg: var(--bs-tertiary-bg);--bs-pagination-hover-border-color: var(--bs-border-color);--bs-pagination-focus-color: var(--bs-link-hover-color);--bs-pagination-focus-bg: var(--bs-secondary-bg);--bs-pagination-focus-box-shadow: 0 0 0 0.25rem rgba(13, 110, 253, 0.25);--bs-pagination-active-color: #fff;--bs-pagination-active-bg: #0d6efd;--bs-pagination-active-border-color: #0d6efd;--bs-pagination-disabled-color: var(--bs-secondary-color);--bs-pagination-disabled-bg: var(--bs-secondary-bg);--bs-pagination-disabled-border-color: var(--bs-border-color);display:flex;padding-left:0;list-style:none}.page-link{position:relative;display:block;padding:var(--bs-pagination-padding-y) var(--bs-pagination-padding-x);font-size:var(--bs-pagination-font-size);color:var(--bs-pagination-color);text-decoration:none;background-color:var(--bs-pagination-bg);border:var(--bs-pagination-border-width) solid var(--bs-pagination-border-color);transition:color .15s ease-in-out,background-color .15s ease-in-out,border-color .15s ease-in-out,box-shadow .15s ease-in-out}@media(prefers-reduced-motion: reduce){.page-link{transition:none}}.page-link:hover{z-index:2;color:var(--bs-pagination-hover-color);background-color:var(--bs-pagination-hover-bg);border-color:var(--bs-pagination-hover-border-color)}.page-link:focus{z-index:3;color:var(--bs-pagination-focus-color);background-color:var(--bs-pagination-focus-bg);outline:0;box-shadow:var(--bs-pagination-focus-box-shadow)}.page-link.active,.active>.page-link{z-index:3;color:var(--bs-pagination-active-color);background-color:var(--bs-pagination-active-bg);border-color:var(--bs-pagination-active-border-color)}.page-link.disabled,.disabled>.page-link{color:var(--bs-pagination-disabled-color);pointer-events:none;background-color:var(--bs-pagination-disabled-bg);border-color:var(--bs-pagination-disabled-border-color)}.page-item:not(:first-child) .page-link{margin-left:calc(var(--bs-border-width)*-1)}.page-item:first-child .page-link{border-top-left-radius:var(--bs-pagination-border-radius);border-bottom-left-radius:var(--bs-pagination-border-radius)}.page-item:last-child .page-link{border-top-right-radius:var(--bs-pagination-border-radius);border-bottom-right-radius:var(--bs-pagination-border-radius)}.pagination-lg{--bs-pagination-padding-x: 1.5rem;--bs-pagination-padding-y: 0.75rem;--bs-pagination-font-size:1.25rem;--bs-pagination-border-radius: var(--bs-border-radius-lg)}.pagination-sm{--bs-pagination-padding-x: 0.5rem;--bs-pagination-padding-y: 0.25rem;--bs-pagination-font-size:0.875rem;--bs-pagination-border-radius: var(--bs-border-radius-sm)}.badge{--bs-badge-padding-x: 0.65em;--bs-badge-padding-y: 0.35em;--bs-badge-font-size:0.75em;--bs-badge-font-weight: 700;--bs-badge-color: #fff;--bs-badge-border-radius: var(--bs-border-radius);display:inline-block;padding:var(--bs-badge-padding-y) var(--bs-badge-padding-x);font-size:var(--bs-badge-font-size);font-weight:var(--bs-badge-font-weight);line-height:1;color:var(--bs-badge-color);text-align:center;white-space:nowrap;vertical-align:baseline;border-radius:var(--bs-badge-border-radius)}.badge:empty{display:none}.btn .badge{position:relative;top:-1px}.alert{--bs-alert-bg: transparent;--bs-alert-padding-x: 1rem;--bs-alert-padding-y: 1rem;--bs-alert-margin-bottom: 1rem;--bs-alert-color: inherit;--bs-alert-border-color: transparent;--bs-alert-border: var(--bs-border-width) solid var(--bs-alert-border-color);--bs-alert-border-radius: var(--bs-border-radius);--bs-alert-link-color: inherit;position:relative;padding:var(--bs-alert-padding-y) var(--bs-alert-padding-x);margin-bottom:var(--bs-alert-margin-bottom);color:var(--bs-alert-color);background-color:var(--bs-alert-bg);border:var(--bs-alert-border);border-radius:var(--bs-alert-border-radius)}.alert-heading{color:inherit}.alert-link{font-weight:700;color:var(--bs-alert-link-color)}.alert-dismissible{padding-right:3rem}.alert-dismissible .btn-close{position:absolute;top:0;right:0;z-index:2;padding:1.25rem 1rem}.alert-primary{--bs-alert-color: var(--bs-primary-text-emphasis);--bs-alert-bg: var(--bs-primary-bg-subtle);--bs-alert-border-color: var(--bs-primary-border-subtle);--bs-alert-link-color: var(--bs-primary-text-emphasis)}.alert-secondary{--bs-alert-color: var(--bs-secondary-text-emphasis);--bs-alert-bg: var(--bs-secondary-bg-subtle);--bs-alert-border-color: var(--bs-secondary-border-subtle);--bs-alert-link-color: var(--bs-secondary-text-emphasis)}.alert-success{--bs-alert-color: var(--bs-success-text-emphasis);--bs-alert-bg: var(--bs-success-bg-subtle);--bs-alert-border-color: var(--bs-success-border-subtle);--bs-alert-link-color: var(--bs-success-text-emphasis)}.alert-info{--bs-alert-color: var(--bs-info-text-emphasis);--bs-alert-bg: var(--bs-info-bg-subtle);--bs-alert-border-color: var(--bs-info-border-subtle);--bs-alert-link-color: var(--bs-info-text-emphasis)}.alert-warning{--bs-alert-color: var(--bs-warning-text-emphasis);--bs-alert-bg: var(--bs-warning-bg-subtle);--bs-alert-border-color: var(--bs-warning-border-subtle);--bs-alert-link-color: var(--bs-warning-text-emphasis)}.alert-danger{--bs-alert-color: var(--bs-danger-text-emphasis);--bs-alert-bg: var(--bs-danger-bg-subtle);--bs-alert-border-color: var(--bs-danger-border-subtle);--bs-alert-link-color: var(--bs-danger-text-emphasis)}.alert-light{--bs-alert-color: var(--bs-light-text-emphasis);--bs-alert-bg: var(--bs-light-bg-subtle);--bs-alert-border-color: var(--bs-light-border-subtle);--bs-alert-link-color: var(--bs-light-text-emphasis)}.alert-dark{--bs-alert-color: var(--bs-dark-text-emphasis);--bs-alert-bg: var(--bs-dark-bg-subtle);--bs-alert-border-color: var(--bs-dark-border-subtle);--bs-alert-link-color: var(--bs-dark-text-emphasis)}@keyframes progress-bar-stripes{0%{background-position-x:1rem}}.progress,.progress-stacked{--bs-progress-height: 1rem;--bs-progress-font-size:0.75rem;--bs-progress-bg: var(--bs-secondary-bg);--bs-progress-border-radius: var(--bs-border-radius);--bs-progress-box-shadow: var(--bs-box-shadow-inset);--bs-progress-bar-color: #fff;--bs-progress-bar-bg: #0d6efd;--bs-progress-bar-transition: width 0.6s ease;display:flex;height:var(--bs-progress-height);overflow:hidden;font-size:var(--bs-progress-font-size);background-color:var(--bs-progress-bg);border-radius:var(--bs-progress-border-radius)}.progress-bar{display:flex;flex-direction:column;justify-content:center;overflow:hidden;color:var(--bs-progress-bar-color);text-align:center;white-space:nowrap;background-color:var(--bs-progress-bar-bg);transition:var(--bs-progress-bar-transition)}@media(prefers-reduced-motion: reduce){.progress-bar{transition:none}}.progress-bar-striped{background-image:linear-gradient(45deg, rgba(255, 255, 255, 0.15) 25%, transparent 25%, transparent 50%, rgba(255, 255, 255, 0.15) 50%, rgba(255, 255, 255, 0.15) 75%, transparent 75%, transparent);background-size:var(--bs-progress-height) var(--bs-progress-height)}.progress-stacked>.progress{overflow:visible}.progress-stacked>.progress>.progress-bar{width:100%}.progress-bar-animated{animation:1s linear infinite progress-bar-stripes}@media(prefers-reduced-motion: reduce){.progress-bar-animated{animation:none}}.list-group{--bs-list-group-color: var(--bs-body-color);--bs-list-group-bg: var(--bs-body-bg);--bs-list-group-border-color: var(--bs-border-color);--bs-list-group-border-width: var(--bs-border-width);--bs-list-group-border-radius: var(--bs-border-radius);--bs-list-group-item-padding-x: 1rem;--bs-list-group-item-padding-y: 0.5rem;--bs-list-group-action-color: var(--bs-secondary-color);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-tertiary-bg);--bs-list-group-action-active-color: var(--bs-body-color);--bs-list-group-action-active-bg: var(--bs-secondary-bg);--bs-list-group-disabled-color: var(--bs-secondary-color);--bs-list-group-disabled-bg: var(--bs-body-bg);--bs-list-group-active-color: #fff;--bs-list-group-active-bg: #0d6efd;--bs-list-group-active-border-color: 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var(--bs-list-group-border-color)}.list-group-item:first-child{border-top-left-radius:inherit;border-top-right-radius:inherit}.list-group-item:last-child{border-bottom-right-radius:inherit;border-bottom-left-radius:inherit}.list-group-item.disabled,.list-group-item:disabled{color:var(--bs-list-group-disabled-color);pointer-events:none;background-color:var(--bs-list-group-disabled-bg)}.list-group-item.active{z-index:2;color:var(--bs-list-group-active-color);background-color:var(--bs-list-group-active-bg);border-color:var(--bs-list-group-active-border-color)}.list-group-item+.list-group-item{border-top-width:0}.list-group-item+.list-group-item.active{margin-top:calc(-1*var(--bs-list-group-border-width));border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal{flex-direction:row}.list-group-horizontal>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal>.list-group-item.active{margin-top:0}.list-group-horizontal>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}@media(min-width: 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960px){.list-group-horizontal-lg{flex-direction:row}.list-group-horizontal-lg>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-lg>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-lg>.list-group-item.active{margin-top:0}.list-group-horizontal-lg>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-lg>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}@media(min-width: 1200px){.list-group-horizontal-xl{flex-direction:row}.list-group-horizontal-xl>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-xl>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-xl>.list-group-item.active{margin-top:0}.list-group-horizontal-xl>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-xl>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}.list-group-flush{border-radius:0}.list-group-flush>.list-group-item{border-width:0 0 var(--bs-list-group-border-width)}.list-group-flush>.list-group-item:last-child{border-bottom-width:0}.list-group-item-primary{--bs-list-group-color: var(--bs-primary-text-emphasis);--bs-list-group-bg: var(--bs-primary-bg-subtle);--bs-list-group-border-color: var(--bs-primary-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-primary-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-primary-border-subtle);--bs-list-group-active-color: var(--bs-primary-bg-subtle);--bs-list-group-active-bg: var(--bs-primary-text-emphasis);--bs-list-group-active-border-color: var(--bs-primary-text-emphasis)}.list-group-item-secondary{--bs-list-group-color: var(--bs-secondary-text-emphasis);--bs-list-group-bg: var(--bs-secondary-bg-subtle);--bs-list-group-border-color: var(--bs-secondary-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-secondary-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-secondary-border-subtle);--bs-list-group-active-color: var(--bs-secondary-bg-subtle);--bs-list-group-active-bg: var(--bs-secondary-text-emphasis);--bs-list-group-active-border-color: var(--bs-secondary-text-emphasis)}.list-group-item-success{--bs-list-group-color: var(--bs-success-text-emphasis);--bs-list-group-bg: var(--bs-success-bg-subtle);--bs-list-group-border-color: var(--bs-success-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-success-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-success-border-subtle);--bs-list-group-active-color: var(--bs-success-bg-subtle);--bs-list-group-active-bg: var(--bs-success-text-emphasis);--bs-list-group-active-border-color: var(--bs-success-text-emphasis)}.list-group-item-info{--bs-list-group-color: var(--bs-info-text-emphasis);--bs-list-group-bg: var(--bs-info-bg-subtle);--bs-list-group-border-color: var(--bs-info-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-info-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-info-border-subtle);--bs-list-group-active-color: var(--bs-info-bg-subtle);--bs-list-group-active-bg: var(--bs-info-text-emphasis);--bs-list-group-active-border-color: var(--bs-info-text-emphasis)}.list-group-item-warning{--bs-list-group-color: var(--bs-warning-text-emphasis);--bs-list-group-bg: var(--bs-warning-bg-subtle);--bs-list-group-border-color: var(--bs-warning-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-warning-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-warning-border-subtle);--bs-list-group-active-color: var(--bs-warning-bg-subtle);--bs-list-group-active-bg: var(--bs-warning-text-emphasis);--bs-list-group-active-border-color: var(--bs-warning-text-emphasis)}.list-group-item-danger{--bs-list-group-color: var(--bs-danger-text-emphasis);--bs-list-group-bg: var(--bs-danger-bg-subtle);--bs-list-group-border-color: var(--bs-danger-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-danger-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-danger-border-subtle);--bs-list-group-active-color: var(--bs-danger-bg-subtle);--bs-list-group-active-bg: var(--bs-danger-text-emphasis);--bs-list-group-active-border-color: var(--bs-danger-text-emphasis)}.list-group-item-light{--bs-list-group-color: var(--bs-light-text-emphasis);--bs-list-group-bg: var(--bs-light-bg-subtle);--bs-list-group-border-color: var(--bs-light-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-light-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-light-border-subtle);--bs-list-group-active-color: var(--bs-light-bg-subtle);--bs-list-group-active-bg: var(--bs-light-text-emphasis);--bs-list-group-active-border-color: var(--bs-light-text-emphasis)}.list-group-item-dark{--bs-list-group-color: var(--bs-dark-text-emphasis);--bs-list-group-bg: var(--bs-dark-bg-subtle);--bs-list-group-border-color: var(--bs-dark-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-dark-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-dark-border-subtle);--bs-list-group-active-color: var(--bs-dark-bg-subtle);--bs-list-group-active-bg: var(--bs-dark-text-emphasis);--bs-list-group-active-border-color: var(--bs-dark-text-emphasis)}.btn-close{--bs-btn-close-color: #000;--bs-btn-close-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%23000'%3e%3cpath d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/%3e%3c/svg%3e\");--bs-btn-close-opacity: 0.5;--bs-btn-close-hover-opacity: 0.75;--bs-btn-close-focus-shadow: 0 0 0 0.25rem rgba(13, 110, 253, 0.25);--bs-btn-close-focus-opacity: 1;--bs-btn-close-disabled-opacity: 0.25;--bs-btn-close-white-filter: invert(1) grayscale(100%) brightness(200%);box-sizing:content-box;width:1em;height:1em;padding:.25em .25em;color:var(--bs-btn-close-color);background:rgba(0,0,0,0) var(--bs-btn-close-bg) center/1em auto 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calc(var(--bs-border-radius-lg) - (var(--bs-border-width)));--bs-modal-header-padding-x: 1rem;--bs-modal-header-padding-y: 1rem;--bs-modal-header-padding: 1rem 1rem;--bs-modal-header-border-color: var(--bs-border-color);--bs-modal-header-border-width: var(--bs-border-width);--bs-modal-title-line-height: 1.5;--bs-modal-footer-gap: 0.5rem;--bs-modal-footer-bg: ;--bs-modal-footer-border-color: var(--bs-border-color);--bs-modal-footer-border-width: var(--bs-border-width);position:fixed;top:0;left:0;z-index:var(--bs-modal-zindex);display:none;width:100%;height:100%;overflow-x:hidden;overflow-y:auto;outline:0}.modal-dialog{position:relative;width:auto;margin:var(--bs-modal-margin);pointer-events:none}.modal.fade .modal-dialog{transition:transform .3s ease-out;transform:translate(0, -50px)}@media(prefers-reduced-motion: reduce){.modal.fade .modal-dialog{transition:none}}.modal.show .modal-dialog{transform:none}.modal.modal-static 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!important}.pt-lg-0{padding-top:0 !important}.pt-lg-1{padding-top:.25rem !important}.pt-lg-2{padding-top:.5rem !important}.pt-lg-3{padding-top:1rem !important}.pt-lg-4{padding-top:1.5rem !important}.pt-lg-5{padding-top:3rem !important}.pe-lg-0{padding-right:0 !important}.pe-lg-1{padding-right:.25rem !important}.pe-lg-2{padding-right:.5rem !important}.pe-lg-3{padding-right:1rem !important}.pe-lg-4{padding-right:1.5rem !important}.pe-lg-5{padding-right:3rem !important}.pb-lg-0{padding-bottom:0 !important}.pb-lg-1{padding-bottom:.25rem !important}.pb-lg-2{padding-bottom:.5rem !important}.pb-lg-3{padding-bottom:1rem !important}.pb-lg-4{padding-bottom:1.5rem !important}.pb-lg-5{padding-bottom:3rem !important}.ps-lg-0{padding-left:0 !important}.ps-lg-1{padding-left:.25rem !important}.ps-lg-2{padding-left:.5rem !important}.ps-lg-3{padding-left:1rem !important}.ps-lg-4{padding-left:1.5rem !important}.ps-lg-5{padding-left:3rem !important}.gap-lg-0{gap:0 !important}.gap-lg-1{gap:.25rem !important}.gap-lg-2{gap:.5rem !important}.gap-lg-3{gap:1rem !important}.gap-lg-4{gap:1.5rem !important}.gap-lg-5{gap:3rem !important}.row-gap-lg-0{row-gap:0 !important}.row-gap-lg-1{row-gap:.25rem !important}.row-gap-lg-2{row-gap:.5rem !important}.row-gap-lg-3{row-gap:1rem !important}.row-gap-lg-4{row-gap:1.5rem !important}.row-gap-lg-5{row-gap:3rem !important}.column-gap-lg-0{column-gap:0 !important}.column-gap-lg-1{column-gap:.25rem !important}.column-gap-lg-2{column-gap:.5rem !important}.column-gap-lg-3{column-gap:1rem !important}.column-gap-lg-4{column-gap:1.5rem !important}.column-gap-lg-5{column-gap:3rem !important}.text-lg-start{text-align:left !important}.text-lg-end{text-align:right !important}.text-lg-center{text-align:center !important}}@media(min-width: 1200px){.float-xl-start{float:left !important}.float-xl-end{float:right !important}.float-xl-none{float:none !important}.object-fit-xl-contain{object-fit:contain !important}.object-fit-xl-cover{object-fit:cover !important}.object-fit-xl-fill{object-fit:fill !important}.object-fit-xl-scale{object-fit:scale-down !important}.object-fit-xl-none{object-fit:none !important}.d-xl-inline{display:inline !important}.d-xl-inline-block{display:inline-block !important}.d-xl-block{display:block !important}.d-xl-grid{display:grid !important}.d-xl-inline-grid{display:inline-grid !important}.d-xl-table{display:table !important}.d-xl-table-row{display:table-row !important}.d-xl-table-cell{display:table-cell !important}.d-xl-flex{display:flex !important}.d-xl-inline-flex{display:inline-flex !important}.d-xl-none{display:none !important}.flex-xl-fill{flex:1 1 auto !important}.flex-xl-row{flex-direction:row !important}.flex-xl-column{flex-direction:column !important}.flex-xl-row-reverse{flex-direction:row-reverse !important}.flex-xl-column-reverse{flex-direction:column-reverse !important}.flex-xl-grow-0{flex-grow:0 !important}.flex-xl-grow-1{flex-grow:1 !important}.flex-xl-shrink-0{flex-shrink:0 !important}.flex-xl-shrink-1{flex-shrink:1 !important}.flex-xl-wrap{flex-wrap:wrap !important}.flex-xl-nowrap{flex-wrap:nowrap !important}.flex-xl-wrap-reverse{flex-wrap:wrap-reverse !important}.justify-content-xl-start{justify-content:flex-start !important}.justify-content-xl-end{justify-content:flex-end !important}.justify-content-xl-center{justify-content:center !important}.justify-content-xl-between{justify-content:space-between !important}.justify-content-xl-around{justify-content:space-around !important}.justify-content-xl-evenly{justify-content:space-evenly !important}.align-items-xl-start{align-items:flex-start !important}.align-items-xl-end{align-items:flex-end !important}.align-items-xl-center{align-items:center !important}.align-items-xl-baseline{align-items:baseline !important}.align-items-xl-stretch{align-items:stretch !important}.align-content-xl-start{align-content:flex-start !important}.align-content-xl-end{align-content:flex-end !important}.align-content-xl-center{align-content:center !important}.align-content-xl-between{align-content:space-between !important}.align-content-xl-around{align-content:space-around !important}.align-content-xl-stretch{align-content:stretch !important}.align-self-xl-auto{align-self:auto !important}.align-self-xl-start{align-self:flex-start !important}.align-self-xl-end{align-self:flex-end !important}.align-self-xl-center{align-self:center !important}.align-self-xl-baseline{align-self:baseline !important}.align-self-xl-stretch{align-self:stretch !important}.order-xl-first{order:-1 !important}.order-xl-0{order:0 !important}.order-xl-1{order:1 !important}.order-xl-2{order:2 !important}.order-xl-3{order:3 !important}.order-xl-4{order:4 !important}.order-xl-5{order:5 !important}.order-xl-last{order:6 !important}.m-xl-0{margin:0 !important}.m-xl-1{margin:.25rem !important}.m-xl-2{margin:.5rem !important}.m-xl-3{margin:1rem !important}.m-xl-4{margin:1.5rem !important}.m-xl-5{margin:3rem !important}.m-xl-auto{margin:auto !important}.mx-xl-0{margin-right:0 !important;margin-left:0 !important}.mx-xl-1{margin-right:.25rem !important;margin-left:.25rem !important}.mx-xl-2{margin-right:.5rem !important;margin-left:.5rem !important}.mx-xl-3{margin-right:1rem !important;margin-left:1rem !important}.mx-xl-4{margin-right:1.5rem !important;margin-left:1.5rem !important}.mx-xl-5{margin-right:3rem !important;margin-left:3rem !important}.mx-xl-auto{margin-right:auto !important;margin-left:auto !important}.my-xl-0{margin-top:0 !important;margin-bottom:0 !important}.my-xl-1{margin-top:.25rem !important;margin-bottom:.25rem !important}.my-xl-2{margin-top:.5rem !important;margin-bottom:.5rem !important}.my-xl-3{margin-top:1rem !important;margin-bottom:1rem !important}.my-xl-4{margin-top:1.5rem !important;margin-bottom:1.5rem !important}.my-xl-5{margin-top:3rem !important;margin-bottom:3rem !important}.my-xl-auto{margin-top:auto !important;margin-bottom:auto !important}.mt-xl-0{margin-top:0 !important}.mt-xl-1{margin-top:.25rem !important}.mt-xl-2{margin-top:.5rem !important}.mt-xl-3{margin-top:1rem !important}.mt-xl-4{margin-top:1.5rem !important}.mt-xl-5{margin-top:3rem !important}.mt-xl-auto{margin-top:auto !important}.me-xl-0{margin-right:0 !important}.me-xl-1{margin-right:.25rem !important}.me-xl-2{margin-right:.5rem !important}.me-xl-3{margin-right:1rem !important}.me-xl-4{margin-right:1.5rem !important}.me-xl-5{margin-right:3rem !important}.me-xl-auto{margin-right:auto !important}.mb-xl-0{margin-bottom:0 !important}.mb-xl-1{margin-bottom:.25rem !important}.mb-xl-2{margin-bottom:.5rem !important}.mb-xl-3{margin-bottom:1rem !important}.mb-xl-4{margin-bottom:1.5rem !important}.mb-xl-5{margin-bottom:3rem !important}.mb-xl-auto{margin-bottom:auto !important}.ms-xl-0{margin-left:0 !important}.ms-xl-1{margin-left:.25rem !important}.ms-xl-2{margin-left:.5rem !important}.ms-xl-3{margin-left:1rem !important}.ms-xl-4{margin-left:1.5rem !important}.ms-xl-5{margin-left:3rem !important}.ms-xl-auto{margin-left:auto !important}.p-xl-0{padding:0 !important}.p-xl-1{padding:.25rem !important}.p-xl-2{padding:.5rem !important}.p-xl-3{padding:1rem !important}.p-xl-4{padding:1.5rem !important}.p-xl-5{padding:3rem !important}.px-xl-0{padding-right:0 !important;padding-left:0 !important}.px-xl-1{padding-right:.25rem !important;padding-left:.25rem !important}.px-xl-2{padding-right:.5rem !important;padding-left:.5rem !important}.px-xl-3{padding-right:1rem !important;padding-left:1rem !important}.px-xl-4{padding-right:1.5rem !important;padding-left:1.5rem !important}.px-xl-5{padding-right:3rem !important;padding-left:3rem !important}.py-xl-0{padding-top:0 !important;padding-bottom:0 !important}.py-xl-1{padding-top:.25rem !important;padding-bottom:.25rem !important}.py-xl-2{padding-top:.5rem !important;padding-bottom:.5rem !important}.py-xl-3{padding-top:1rem !important;padding-bottom:1rem !important}.py-xl-4{padding-top:1.5rem !important;padding-bottom:1.5rem !important}.py-xl-5{padding-top:3rem !important;padding-bottom:3rem !important}.pt-xl-0{padding-top:0 !important}.pt-xl-1{padding-top:.25rem !important}.pt-xl-2{padding-top:.5rem !important}.pt-xl-3{padding-top:1rem !important}.pt-xl-4{padding-top:1.5rem !important}.pt-xl-5{padding-top:3rem !important}.pe-xl-0{padding-right:0 !important}.pe-xl-1{padding-right:.25rem !important}.pe-xl-2{padding-right:.5rem !important}.pe-xl-3{padding-right:1rem !important}.pe-xl-4{padding-right:1.5rem !important}.pe-xl-5{padding-right:3rem !important}.pb-xl-0{padding-bottom:0 !important}.pb-xl-1{padding-bottom:.25rem !important}.pb-xl-2{padding-bottom:.5rem !important}.pb-xl-3{padding-bottom:1rem !important}.pb-xl-4{padding-bottom:1.5rem !important}.pb-xl-5{padding-bottom:3rem !important}.ps-xl-0{padding-left:0 !important}.ps-xl-1{padding-left:.25rem !important}.ps-xl-2{padding-left:.5rem !important}.ps-xl-3{padding-left:1rem !important}.ps-xl-4{padding-left:1.5rem !important}.ps-xl-5{padding-left:3rem !important}.gap-xl-0{gap:0 !important}.gap-xl-1{gap:.25rem !important}.gap-xl-2{gap:.5rem !important}.gap-xl-3{gap:1rem !important}.gap-xl-4{gap:1.5rem !important}.gap-xl-5{gap:3rem !important}.row-gap-xl-0{row-gap:0 !important}.row-gap-xl-1{row-gap:.25rem !important}.row-gap-xl-2{row-gap:.5rem !important}.row-gap-xl-3{row-gap:1rem !important}.row-gap-xl-4{row-gap:1.5rem !important}.row-gap-xl-5{row-gap:3rem !important}.column-gap-xl-0{column-gap:0 !important}.column-gap-xl-1{column-gap:.25rem !important}.column-gap-xl-2{column-gap:.5rem !important}.column-gap-xl-3{column-gap:1rem !important}.column-gap-xl-4{column-gap:1.5rem !important}.column-gap-xl-5{column-gap:3rem !important}.text-xl-start{text-align:left !important}.text-xl-end{text-align:right !important}.text-xl-center{text-align:center !important}}@media(min-width: 1200px){.fs-1{font-size:2.5rem !important}.fs-2{font-size:2rem !important}.fs-3{font-size:1.75rem !important}.fs-4{font-size:1.5rem !important}}@media print{.d-print-inline{display:inline !important}.d-print-inline-block{display:inline-block !important}.d-print-block{display:block !important}.d-print-grid{display:grid !important}.d-print-inline-grid{display:inline-grid !important}.d-print-table{display:table !important}.d-print-table-row{display:table-row !important}.d-print-table-cell{display:table-cell !important}.d-print-flex{display:flex !important}.d-print-inline-flex{display:inline-flex !important}.d-print-none{display:none !important}}","@mixin bsBanner($file) {\n  /*!\n   * Bootstrap #{$file} v5.3.2 (https://getbootstrap.com/)\n   * Copyright 2011-2023 The Bootstrap Authors\n   * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n   */\n}\n",":root,\n[data-bs-theme=\"light\"] {\n  // Note: Custom variable values only support SassScript inside `#{}`.\n\n  // Colors\n  //\n  // Generate palettes for full colors, grays, and theme colors.\n\n  @each $color, $value in $colors {\n    --#{$prefix}#{$color}: #{$value};\n  }\n\n  @each $color, $value in $grays {\n    --#{$prefix}gray-#{$color}: #{$value};\n  }\n\n  @each $color, $value in $theme-colors {\n    --#{$prefix}#{$color}: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-rgb {\n    --#{$prefix}#{$color}-rgb: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-text {\n    --#{$prefix}#{$color}-text-emphasis: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-bg-subtle {\n    --#{$prefix}#{$color}-bg-subtle: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-border-subtle {\n    --#{$prefix}#{$color}-border-subtle: #{$value};\n  }\n\n  --#{$prefix}white-rgb: #{to-rgb($white)};\n  --#{$prefix}black-rgb: #{to-rgb($black)};\n\n  // Fonts\n\n  // Note: Use `inspect` for lists so that quoted items keep the quotes.\n  // See https://github.com/sass/sass/issues/2383#issuecomment-336349172\n  --#{$prefix}font-sans-serif: #{inspect($font-family-sans-serif)};\n  --#{$prefix}font-monospace: #{inspect($font-family-monospace)};\n  --#{$prefix}gradient: #{$gradient};\n\n  // Root and body\n  // scss-docs-start root-body-variables\n  @if $font-size-root != null {\n    --#{$prefix}root-font-size: #{$font-size-root};\n  }\n  --#{$prefix}body-font-family: #{inspect($font-family-base)};\n  @include rfs($font-size-base, --#{$prefix}body-font-size);\n  --#{$prefix}body-font-weight: #{$font-weight-base};\n  --#{$prefix}body-line-height: #{$line-height-base};\n  @if $body-text-align != null {\n    --#{$prefix}body-text-align: #{$body-text-align};\n  }\n\n  --#{$prefix}body-color: #{$body-color};\n  --#{$prefix}body-color-rgb: #{to-rgb($body-color)};\n  --#{$prefix}body-bg: #{$body-bg};\n  --#{$prefix}body-bg-rgb: #{to-rgb($body-bg)};\n\n  --#{$prefix}emphasis-color: #{$body-emphasis-color};\n  --#{$prefix}emphasis-color-rgb: #{to-rgb($body-emphasis-color)};\n\n  --#{$prefix}secondary-color: #{$body-secondary-color};\n  --#{$prefix}secondary-color-rgb: #{to-rgb($body-secondary-color)};\n  --#{$prefix}secondary-bg: #{$body-secondary-bg};\n  --#{$prefix}secondary-bg-rgb: #{to-rgb($body-secondary-bg)};\n\n  --#{$prefix}tertiary-color: #{$body-tertiary-color};\n  --#{$prefix}tertiary-color-rgb: #{to-rgb($body-tertiary-color)};\n  --#{$prefix}tertiary-bg: #{$body-tertiary-bg};\n  --#{$prefix}tertiary-bg-rgb: #{to-rgb($body-tertiary-bg)};\n  // scss-docs-end root-body-variables\n\n  --#{$prefix}heading-color: #{$headings-color};\n\n  --#{$prefix}link-color: #{$link-color};\n  --#{$prefix}link-color-rgb: #{to-rgb($link-color)};\n  --#{$prefix}link-decoration: #{$link-decoration};\n\n  --#{$prefix}link-hover-color: #{$link-hover-color};\n  --#{$prefix}link-hover-color-rgb: #{to-rgb($link-hover-color)};\n\n  @if $link-hover-decoration != null {\n    --#{$prefix}link-hover-decoration: #{$link-hover-decoration};\n  }\n\n  --#{$prefix}code-color: #{$code-color};\n  --#{$prefix}highlight-color: #{$mark-color};\n  --#{$prefix}highlight-bg: #{$mark-bg};\n\n  // scss-docs-start root-border-var\n  --#{$prefix}border-width: #{$border-width};\n  --#{$prefix}border-style: #{$border-style};\n  --#{$prefix}border-color: #{$border-color};\n  --#{$prefix}border-color-translucent: #{$border-color-translucent};\n\n  --#{$prefix}border-radius: #{$border-radius};\n  --#{$prefix}border-radius-sm: #{$border-radius-sm};\n  --#{$prefix}border-radius-lg: #{$border-radius-lg};\n  --#{$prefix}border-radius-xl: #{$border-radius-xl};\n  --#{$prefix}border-radius-xxl: #{$border-radius-xxl};\n  --#{$prefix}border-radius-2xl: var(--#{$prefix}border-radius-xxl); // Deprecated in v5.3.0 for consistency\n  --#{$prefix}border-radius-pill: #{$border-radius-pill};\n  // scss-docs-end root-border-var\n\n  --#{$prefix}box-shadow: #{$box-shadow};\n  --#{$prefix}box-shadow-sm: #{$box-shadow-sm};\n  --#{$prefix}box-shadow-lg: #{$box-shadow-lg};\n  --#{$prefix}box-shadow-inset: #{$box-shadow-inset};\n\n  // Focus styles\n  // scss-docs-start root-focus-variables\n  --#{$prefix}focus-ring-width: #{$focus-ring-width};\n  --#{$prefix}focus-ring-opacity: #{$focus-ring-opacity};\n  --#{$prefix}focus-ring-color: #{$focus-ring-color};\n  // scss-docs-end root-focus-variables\n\n  // scss-docs-start root-form-validation-variables\n  --#{$prefix}form-valid-color: #{$form-valid-color};\n  --#{$prefix}form-valid-border-color: #{$form-valid-border-color};\n  --#{$prefix}form-invalid-color: #{$form-invalid-color};\n  --#{$prefix}form-invalid-border-color: #{$form-invalid-border-color};\n  // scss-docs-end root-form-validation-variables\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark, true) {\n    color-scheme: dark;\n\n    // scss-docs-start root-dark-mode-vars\n    --#{$prefix}body-color: #{$body-color-dark};\n    --#{$prefix}body-color-rgb: #{to-rgb($body-color-dark)};\n    --#{$prefix}body-bg: #{$body-bg-dark};\n    --#{$prefix}body-bg-rgb: #{to-rgb($body-bg-dark)};\n\n    --#{$prefix}emphasis-color: #{$body-emphasis-color-dark};\n    --#{$prefix}emphasis-color-rgb: #{to-rgb($body-emphasis-color-dark)};\n\n    --#{$prefix}secondary-color: #{$body-secondary-color-dark};\n    --#{$prefix}secondary-color-rgb: #{to-rgb($body-secondary-color-dark)};\n    --#{$prefix}secondary-bg: #{$body-secondary-bg-dark};\n    --#{$prefix}secondary-bg-rgb: #{to-rgb($body-secondary-bg-dark)};\n\n    --#{$prefix}tertiary-color: #{$body-tertiary-color-dark};\n    --#{$prefix}tertiary-color-rgb: #{to-rgb($body-tertiary-color-dark)};\n    --#{$prefix}tertiary-bg: #{$body-tertiary-bg-dark};\n    --#{$prefix}tertiary-bg-rgb: #{to-rgb($body-tertiary-bg-dark)};\n\n    @each $color, $value in $theme-colors-text-dark {\n      --#{$prefix}#{$color}-text-emphasis: #{$value};\n    }\n\n    @each $color, $value in $theme-colors-bg-subtle-dark {\n      --#{$prefix}#{$color}-bg-subtle: #{$value};\n    }\n\n    @each $color, $value in $theme-colors-border-subtle-dark {\n      --#{$prefix}#{$color}-border-subtle: #{$value};\n    }\n\n    --#{$prefix}heading-color: #{$headings-color-dark};\n\n    --#{$prefix}link-color: #{$link-color-dark};\n    --#{$prefix}link-hover-color: #{$link-hover-color-dark};\n    --#{$prefix}link-color-rgb: #{to-rgb($link-color-dark)};\n    --#{$prefix}link-hover-color-rgb: #{to-rgb($link-hover-color-dark)};\n\n    --#{$prefix}code-color: #{$code-color-dark};\n    --#{$prefix}highlight-color: #{$mark-color-dark};\n    --#{$prefix}highlight-bg: #{$mark-bg-dark};\n\n    --#{$prefix}border-color: #{$border-color-dark};\n    --#{$prefix}border-color-translucent: #{$border-color-translucent-dark};\n\n    --#{$prefix}form-valid-color: #{$form-valid-color-dark};\n    --#{$prefix}form-valid-border-color: #{$form-valid-border-color-dark};\n    --#{$prefix}form-invalid-color: #{$form-invalid-color-dark};\n    --#{$prefix}form-invalid-border-color: #{$form-invalid-border-color-dark};\n    // scss-docs-end root-dark-mode-vars\n  }\n}\n","// stylelint-disable scss/dimension-no-non-numeric-values\n\n// SCSS RFS mixin\n//\n// Automated responsive values for font sizes, paddings, margins and much more\n//\n// Licensed under MIT (https://github.com/twbs/rfs/blob/main/LICENSE)\n\n// Configuration\n\n// Base value\n$rfs-base-value: 1.25rem !default;\n$rfs-unit: rem !default;\n\n@if $rfs-unit != rem and $rfs-unit != px {\n  @error \"`#{$rfs-unit}` is not a valid unit for $rfs-unit. Use `px` or `rem`.\";\n}\n\n// Breakpoint at where values start decreasing if screen width is smaller\n$rfs-breakpoint: 1200px !default;\n$rfs-breakpoint-unit: px !default;\n\n@if $rfs-breakpoint-unit != px and $rfs-breakpoint-unit != em and $rfs-breakpoint-unit != rem {\n  @error \"`#{$rfs-breakpoint-unit}` is not a valid unit for $rfs-breakpoint-unit. Use `px`, `em` or `rem`.\";\n}\n\n// Resize values based on screen height and width\n$rfs-two-dimensional: false !default;\n\n// Factor of decrease\n$rfs-factor: 10 !default;\n\n@if type-of($rfs-factor) != number or $rfs-factor <= 1 {\n  @error \"`#{$rfs-factor}` is not a valid  $rfs-factor, it must be greater than 1.\";\n}\n\n// Mode. Possibilities: \"min-media-query\", \"max-media-query\"\n$rfs-mode: min-media-query !default;\n\n// Generate enable or disable classes. Possibilities: false, \"enable\" or \"disable\"\n$rfs-class: false !default;\n\n// 1 rem = $rfs-rem-value px\n$rfs-rem-value: 16 !default;\n\n// Safari iframe resize bug: https://github.com/twbs/rfs/issues/14\n$rfs-safari-iframe-resize-bug-fix: false !default;\n\n// Disable RFS by setting $enable-rfs to false\n$enable-rfs: true !default;\n\n// Cache $rfs-base-value unit\n$rfs-base-value-unit: unit($rfs-base-value);\n\n@function divide($dividend, $divisor, $precision: 10) {\n  $sign: if($dividend > 0 and $divisor > 0 or $dividend < 0 and $divisor < 0, 1, -1);\n  $dividend: abs($dividend);\n  $divisor: abs($divisor);\n  @if $dividend == 0 {\n    @return 0;\n  }\n  @if $divisor == 0 {\n    @error \"Cannot divide by 0\";\n  }\n  $remainder: $dividend;\n  $result: 0;\n  $factor: 10;\n  @while ($remainder > 0 and $precision >= 0) {\n    $quotient: 0;\n    @while ($remainder >= $divisor) {\n      $remainder: $remainder - $divisor;\n      $quotient: $quotient + 1;\n    }\n    $result: $result * 10 + $quotient;\n    $factor: $factor * .1;\n    $remainder: $remainder * 10;\n    $precision: $precision - 1;\n    @if ($precision < 0 and $remainder >= $divisor * 5) {\n      $result: $result + 1;\n    }\n  }\n  $result: $result * $factor * $sign;\n  $dividend-unit: unit($dividend);\n  $divisor-unit: unit($divisor);\n  $unit-map: (\n    \"px\": 1px,\n    \"rem\": 1rem,\n    \"em\": 1em,\n    \"%\": 1%\n  );\n  @if ($dividend-unit != $divisor-unit and map-has-key($unit-map, $dividend-unit)) {\n    $result: $result * map-get($unit-map, $dividend-unit);\n  }\n  @return $result;\n}\n\n// Remove px-unit from $rfs-base-value for calculations\n@if $rfs-base-value-unit == px {\n  $rfs-base-value: divide($rfs-base-value, $rfs-base-value * 0 + 1);\n}\n@else if $rfs-base-value-unit == rem {\n  $rfs-base-value: divide($rfs-base-value, divide($rfs-base-value * 0 + 1, $rfs-rem-value));\n}\n\n// Cache $rfs-breakpoint unit to prevent multiple calls\n$rfs-breakpoint-unit-cache: unit($rfs-breakpoint);\n\n// Remove unit from $rfs-breakpoint for calculations\n@if $rfs-breakpoint-unit-cache == px {\n  $rfs-breakpoint: divide($rfs-breakpoint, $rfs-breakpoint * 0 + 1);\n}\n@else if $rfs-breakpoint-unit-cache == rem or $rfs-breakpoint-unit-cache == \"em\" {\n  $rfs-breakpoint: divide($rfs-breakpoint, divide($rfs-breakpoint * 0 + 1, $rfs-rem-value));\n}\n\n// Calculate the media query value\n$rfs-mq-value: if($rfs-breakpoint-unit == px, #{$rfs-breakpoint}px, #{divide($rfs-breakpoint, $rfs-rem-value)}#{$rfs-breakpoint-unit});\n$rfs-mq-property-width: if($rfs-mode == max-media-query, max-width, min-width);\n$rfs-mq-property-height: if($rfs-mode == max-media-query, max-height, min-height);\n\n// Internal mixin used to determine which media query needs to be used\n@mixin _rfs-media-query {\n  @if $rfs-two-dimensional {\n    @if $rfs-mode == max-media-query {\n      @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}), (#{$rfs-mq-property-height}: #{$rfs-mq-value}) {\n        @content;\n      }\n    }\n    @else {\n      @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}) and (#{$rfs-mq-property-height}: #{$rfs-mq-value}) {\n        @content;\n      }\n    }\n  }\n  @else {\n    @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}) {\n      @content;\n    }\n  }\n}\n\n// Internal mixin that adds disable classes to the selector if needed.\n@mixin _rfs-rule {\n  @if $rfs-class == disable and $rfs-mode == max-media-query {\n    // Adding an extra class increases specificity, which prevents the media query to override the property\n    &,\n    .disable-rfs &,\n    &.disable-rfs {\n      @content;\n    }\n  }\n  @else if $rfs-class == enable and $rfs-mode == min-media-query {\n    .enable-rfs &,\n    &.enable-rfs {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Internal mixin that adds enable classes to the selector if needed.\n@mixin _rfs-media-query-rule {\n\n  @if $rfs-class == enable {\n    @if $rfs-mode == min-media-query {\n      @content;\n    }\n\n    @include _rfs-media-query () {\n      .enable-rfs &,\n      &.enable-rfs {\n        @content;\n      }\n    }\n  }\n  @else {\n    @if $rfs-class == disable and $rfs-mode == min-media-query {\n      .disable-rfs &,\n      &.disable-rfs {\n        @content;\n      }\n    }\n    @include _rfs-media-query () {\n      @content;\n    }\n  }\n}\n\n// Helper function to get the formatted non-responsive value\n@function rfs-value($values) {\n  // Convert to list\n  $values: if(type-of($values) != list, ($values,), $values);\n\n  $val: \"\";\n\n  // Loop over each value and calculate value\n  @each $value in $values {\n    @if $value == 0 {\n      $val: $val + \" 0\";\n    }\n    @else {\n      // Cache $value unit\n      $unit: if(type-of($value) == \"number\", unit($value), false);\n\n      @if $unit == px {\n        // Convert to rem if needed\n        $val: $val + \" \" + if($rfs-unit == rem, #{divide($value, $value * 0 + $rfs-rem-value)}rem, $value);\n      }\n      @else if $unit == rem {\n        // Convert to px if needed\n        $val: $val + \" \" + if($rfs-unit == px, #{divide($value, $value * 0 + 1) * $rfs-rem-value}px, $value);\n      } @else {\n        // If $value isn't a number (like inherit) or $value has a unit (not px or rem, like 1.5em) or $ is 0, just print the value\n        $val: $val + \" \" + $value;\n      }\n    }\n  }\n\n  // Remove first space\n  @return unquote(str-slice($val, 2));\n}\n\n// Helper function to get the responsive value calculated by RFS\n@function rfs-fluid-value($values) {\n  // Convert to list\n  $values: if(type-of($values) != list, ($values,), $values);\n\n  $val: \"\";\n\n  // Loop over each value and calculate value\n  @each $value in $values {\n    @if $value == 0 {\n      $val: $val + \" 0\";\n    } @else {\n      // Cache $value unit\n      $unit: if(type-of($value) == \"number\", unit($value), false);\n\n      // If $value isn't a number (like inherit) or $value has a unit (not px or rem, like 1.5em) or $ is 0, just print the value\n      @if not $unit or $unit != px and $unit != rem {\n        $val: $val + \" \" + $value;\n      } @else {\n        // Remove unit from $value for calculations\n        $value: divide($value, $value * 0 + if($unit == px, 1, divide(1, $rfs-rem-value)));\n\n        // Only add the media query if the value is greater than the minimum value\n        @if abs($value) <= $rfs-base-value or not $enable-rfs {\n          $val: $val + \" \" + if($rfs-unit == rem, #{divide($value, $rfs-rem-value)}rem, #{$value}px);\n        }\n        @else {\n          // Calculate the minimum value\n          $value-min: $rfs-base-value + divide(abs($value) - $rfs-base-value, $rfs-factor);\n\n          // Calculate difference between $value and the minimum value\n          $value-diff: abs($value) - $value-min;\n\n          // Base value formatting\n          $min-width: if($rfs-unit == rem, #{divide($value-min, $rfs-rem-value)}rem, #{$value-min}px);\n\n          // Use negative value if needed\n          $min-width: if($value < 0, -$min-width, $min-width);\n\n          // Use `vmin` if two-dimensional is enabled\n          $variable-unit: if($rfs-two-dimensional, vmin, vw);\n\n          // Calculate the variable width between 0 and $rfs-breakpoint\n          $variable-width: #{divide($value-diff * 100, $rfs-breakpoint)}#{$variable-unit};\n\n          // Return the calculated value\n          $val: $val + \" calc(\" + $min-width + if($value < 0, \" - \", \" + \") + $variable-width + \")\";\n        }\n      }\n    }\n  }\n\n  // Remove first space\n  @return unquote(str-slice($val, 2));\n}\n\n// RFS mixin\n@mixin rfs($values, $property: font-size) {\n  @if $values != null {\n    $val: rfs-value($values);\n    $fluid-val: rfs-fluid-value($values);\n\n    // Do not print the media query if responsive & non-responsive values are the same\n    @if $val == $fluid-val {\n      #{$property}: $val;\n    }\n    @else {\n      @include _rfs-rule () {\n        #{$property}: if($rfs-mode == max-media-query, $val, $fluid-val);\n\n        // Include safari iframe resize fix if needed\n        min-width: if($rfs-safari-iframe-resize-bug-fix, (0 * 1vw), null);\n      }\n\n      @include _rfs-media-query-rule () {\n        #{$property}: if($rfs-mode == max-media-query, $fluid-val, $val);\n      }\n    }\n  }\n}\n\n// Shorthand helper mixins\n@mixin font-size($value) {\n  @include rfs($value);\n}\n\n@mixin padding($value) {\n  @include rfs($value, padding);\n}\n\n@mixin padding-top($value) {\n  @include rfs($value, padding-top);\n}\n\n@mixin padding-right($value) {\n  @include rfs($value, padding-right);\n}\n\n@mixin padding-bottom($value) {\n  @include rfs($value, padding-bottom);\n}\n\n@mixin padding-left($value) {\n  @include rfs($value, padding-left);\n}\n\n@mixin margin($value) {\n  @include rfs($value, margin);\n}\n\n@mixin margin-top($value) {\n  @include rfs($value, margin-top);\n}\n\n@mixin margin-right($value) {\n  @include rfs($value, margin-right);\n}\n\n@mixin margin-bottom($value) {\n  @include rfs($value, margin-bottom);\n}\n\n@mixin margin-left($value) {\n  @include rfs($value, margin-left);\n}\n","// scss-docs-start color-mode-mixin\n@mixin color-mode($mode: light, $root: false) {\n  @if $color-mode-type == \"media-query\" {\n    @if $root == true {\n      @media (prefers-color-scheme: $mode) {\n        :root {\n          @content;\n        }\n      }\n    } @else {\n      @media (prefers-color-scheme: $mode) {\n        @content;\n      }\n    }\n  } @else {\n    [data-bs-theme=\"#{$mode}\"] {\n      @content;\n    }\n  }\n}\n// scss-docs-end color-mode-mixin\n","// stylelint-disable declaration-no-important, selector-no-qualifying-type, property-no-vendor-prefix\n\n\n// Reboot\n//\n// Normalization of HTML elements, manually forked from Normalize.css to remove\n// styles targeting irrelevant browsers while applying new styles.\n//\n// Normalize is licensed MIT. https://github.com/necolas/normalize.css\n\n\n// Document\n//\n// Change from `box-sizing: content-box` so that `width` is not affected by `padding` or `border`.\n\n*,\n*::before,\n*::after {\n  box-sizing: border-box;\n}\n\n\n// Root\n//\n// Ability to the value of the root font sizes, affecting the value of `rem`.\n// null by default, thus nothing is generated.\n\n:root {\n  @if $font-size-root != null {\n    @include font-size(var(--#{$prefix}root-font-size));\n  }\n\n  @if $enable-smooth-scroll {\n    @media (prefers-reduced-motion: no-preference) {\n      scroll-behavior: smooth;\n    }\n  }\n}\n\n\n// Body\n//\n// 1. Remove the margin in all browsers.\n// 2. As a best practice, apply a default `background-color`.\n// 3. Prevent adjustments of font size after orientation changes in iOS.\n// 4. Change the default tap highlight to be completely transparent in iOS.\n\n// scss-docs-start reboot-body-rules\nbody {\n  margin: 0; // 1\n  font-family: var(--#{$prefix}body-font-family);\n  @include font-size(var(--#{$prefix}body-font-size));\n  font-weight: var(--#{$prefix}body-font-weight);\n  line-height: var(--#{$prefix}body-line-height);\n  color: var(--#{$prefix}body-color);\n  text-align: var(--#{$prefix}body-text-align);\n  background-color: var(--#{$prefix}body-bg); // 2\n  -webkit-text-size-adjust: 100%; // 3\n  -webkit-tap-highlight-color: rgba($black, 0); // 4\n}\n// scss-docs-end reboot-body-rules\n\n\n// Content grouping\n//\n// 1. Reset Firefox's gray color\n\nhr {\n  margin: $hr-margin-y 0;\n  color: $hr-color; // 1\n  border: 0;\n  border-top: $hr-border-width solid $hr-border-color;\n  opacity: $hr-opacity;\n}\n\n\n// Typography\n//\n// 1. Remove top margins from headings\n//    By default, `<h1>`-`<h6>` all receive top and bottom margins. We nuke the top\n//    margin for easier control within type scales as it avoids margin collapsing.\n\n%heading {\n  margin-top: 0; // 1\n  margin-bottom: $headings-margin-bottom;\n  font-family: $headings-font-family;\n  font-style: $headings-font-style;\n  font-weight: $headings-font-weight;\n  line-height: $headings-line-height;\n  color: var(--#{$prefix}heading-color);\n}\n\nh1 {\n  @extend %heading;\n  @include font-size($h1-font-size);\n}\n\nh2 {\n  @extend %heading;\n  @include font-size($h2-font-size);\n}\n\nh3 {\n  @extend %heading;\n  @include font-size($h3-font-size);\n}\n\nh4 {\n  @extend %heading;\n  @include font-size($h4-font-size);\n}\n\nh5 {\n  @extend %heading;\n  @include font-size($h5-font-size);\n}\n\nh6 {\n  @extend %heading;\n  @include font-size($h6-font-size);\n}\n\n\n// Reset margins on paragraphs\n//\n// Similarly, the top margin on `<p>`s get reset. However, we also reset the\n// bottom margin to use `rem` units instead of `em`.\n\np {\n  margin-top: 0;\n  margin-bottom: $paragraph-margin-bottom;\n}\n\n\n// Abbreviations\n//\n// 1. Add the correct text decoration in Chrome, Edge, Opera, and Safari.\n// 2. Add explicit cursor to indicate changed behavior.\n// 3. Prevent the text-decoration to be skipped.\n\nabbr[title] {\n  text-decoration: underline dotted; // 1\n  cursor: help; // 2\n  text-decoration-skip-ink: none; // 3\n}\n\n\n// Address\n\naddress {\n  margin-bottom: 1rem;\n  font-style: normal;\n  line-height: inherit;\n}\n\n\n// Lists\n\nol,\nul {\n  padding-left: 2rem;\n}\n\nol,\nul,\ndl {\n  margin-top: 0;\n  margin-bottom: 1rem;\n}\n\nol ol,\nul ul,\nol ul,\nul ol {\n  margin-bottom: 0;\n}\n\ndt {\n  font-weight: $dt-font-weight;\n}\n\n// 1. Undo browser default\n\ndd {\n  margin-bottom: .5rem;\n  margin-left: 0; // 1\n}\n\n\n// Blockquote\n\nblockquote {\n  margin: 0 0 1rem;\n}\n\n\n// Strong\n//\n// Add the correct font weight in Chrome, Edge, and Safari\n\nb,\nstrong {\n  font-weight: $font-weight-bolder;\n}\n\n\n// Small\n//\n// Add the correct font size in all browsers\n\nsmall {\n  @include font-size($small-font-size);\n}\n\n\n// Mark\n\nmark {\n  padding: $mark-padding;\n  color: var(--#{$prefix}highlight-color);\n  background-color: var(--#{$prefix}highlight-bg);\n}\n\n\n// Sub and Sup\n//\n// Prevent `sub` and `sup` elements from affecting the line height in\n// all browsers.\n\nsub,\nsup {\n  position: relative;\n  @include font-size($sub-sup-font-size);\n  line-height: 0;\n  vertical-align: baseline;\n}\n\nsub { bottom: -.25em; }\nsup { top: -.5em; }\n\n\n// Links\n\na {\n  color: rgba(var(--#{$prefix}link-color-rgb), var(--#{$prefix}link-opacity, 1));\n  text-decoration: $link-decoration;\n\n  &:hover {\n    --#{$prefix}link-color-rgb: var(--#{$prefix}link-hover-color-rgb);\n    text-decoration: $link-hover-decoration;\n  }\n}\n\n// And undo these styles for placeholder links/named anchors (without href).\n// It would be more straightforward to just use a[href] in previous block, but that\n// causes specificity issues in many other styles that are too complex to fix.\n// See https://github.com/twbs/bootstrap/issues/19402\n\na:not([href]):not([class]) {\n  &,\n  &:hover {\n    color: inherit;\n    text-decoration: none;\n  }\n}\n\n\n// Code\n\npre,\ncode,\nkbd,\nsamp {\n  font-family: $font-family-code;\n  @include font-size(1em); // Correct the odd `em` font sizing in all browsers.\n}\n\n// 1. Remove browser default top margin\n// 2. Reset browser default of `1em` to use `rem`s\n// 3. Don't allow content to break outside\n\npre {\n  display: block;\n  margin-top: 0; // 1\n  margin-bottom: 1rem; // 2\n  overflow: auto; // 3\n  @include font-size($code-font-size);\n  color: $pre-color;\n\n  // Account for some code outputs that place code tags in pre tags\n  code {\n    @include font-size(inherit);\n    color: inherit;\n    word-break: normal;\n  }\n}\n\ncode {\n  @include font-size($code-font-size);\n  color: var(--#{$prefix}code-color);\n  word-wrap: break-word;\n\n  // Streamline the style when inside anchors to avoid broken underline and more\n  a > & {\n    color: inherit;\n  }\n}\n\nkbd {\n  padding: $kbd-padding-y $kbd-padding-x;\n  @include font-size($kbd-font-size);\n  color: $kbd-color;\n  background-color: $kbd-bg;\n  @include border-radius($border-radius-sm);\n\n  kbd {\n    padding: 0;\n    @include font-size(1em);\n    font-weight: $nested-kbd-font-weight;\n  }\n}\n\n\n// Figures\n//\n// Apply a consistent margin strategy (matches our type styles).\n\nfigure {\n  margin: 0 0 1rem;\n}\n\n\n// Images and content\n\nimg,\nsvg {\n  vertical-align: middle;\n}\n\n\n// Tables\n//\n// Prevent double borders\n\ntable {\n  caption-side: bottom;\n  border-collapse: collapse;\n}\n\ncaption {\n  padding-top: $table-cell-padding-y;\n  padding-bottom: $table-cell-padding-y;\n  color: $table-caption-color;\n  text-align: left;\n}\n\n// 1. Removes font-weight bold by inheriting\n// 2. Matches default `<td>` alignment by inheriting `text-align`.\n// 3. Fix alignment for Safari\n\nth {\n  font-weight: $table-th-font-weight; // 1\n  text-align: inherit; // 2\n  text-align: -webkit-match-parent; // 3\n}\n\nthead,\ntbody,\ntfoot,\ntr,\ntd,\nth {\n  border-color: inherit;\n  border-style: solid;\n  border-width: 0;\n}\n\n\n// Forms\n//\n// 1. Allow labels to use `margin` for spacing.\n\nlabel {\n  display: inline-block; // 1\n}\n\n// Remove the default `border-radius` that macOS Chrome adds.\n// See https://github.com/twbs/bootstrap/issues/24093\n\nbutton {\n  // stylelint-disable-next-line property-disallowed-list\n  border-radius: 0;\n}\n\n// Explicitly remove focus outline in Chromium when it shouldn't be\n// visible (e.g. as result of mouse click or touch tap). It already\n// should be doing this automatically, but seems to currently be\n// confused and applies its very visible two-tone outline anyway.\n\nbutton:focus:not(:focus-visible) {\n  outline: 0;\n}\n\n// 1. Remove the margin in Firefox and Safari\n\ninput,\nbutton,\nselect,\noptgroup,\ntextarea {\n  margin: 0; // 1\n  font-family: inherit;\n  @include font-size(inherit);\n  line-height: inherit;\n}\n\n// Remove the inheritance of text transform in Firefox\nbutton,\nselect {\n  text-transform: none;\n}\n// Set the cursor for non-`<button>` buttons\n//\n// Details at https://github.com/twbs/bootstrap/pull/30562\n[role=\"button\"] {\n  cursor: pointer;\n}\n\nselect {\n  // Remove the inheritance of word-wrap in Safari.\n  // See https://github.com/twbs/bootstrap/issues/24990\n  word-wrap: normal;\n\n  // Undo the opacity change from Chrome\n  &:disabled {\n    opacity: 1;\n  }\n}\n\n// Remove the dropdown arrow only from text type inputs built with datalists in Chrome.\n// See https://stackoverflow.com/a/54997118\n\n[list]:not([type=\"date\"]):not([type=\"datetime-local\"]):not([type=\"month\"]):not([type=\"week\"]):not([type=\"time\"])::-webkit-calendar-picker-indicator {\n  display: none !important;\n}\n\n// 1. Prevent a WebKit bug where (2) destroys native `audio` and `video`\n//    controls in Android 4.\n// 2. Correct the inability to style clickable types in iOS and Safari.\n// 3. Opinionated: add \"hand\" cursor to non-disabled button elements.\n\nbutton,\n[type=\"button\"], // 1\n[type=\"reset\"],\n[type=\"submit\"] {\n  -webkit-appearance: button; // 2\n\n  @if $enable-button-pointers {\n    &:not(:disabled) {\n      cursor: pointer; // 3\n    }\n  }\n}\n\n// Remove inner border and padding from Firefox, but don't restore the outline like Normalize.\n\n::-moz-focus-inner {\n  padding: 0;\n  border-style: none;\n}\n\n// 1. Textareas should really only resize vertically so they don't break their (horizontal) containers.\n\ntextarea {\n  resize: vertical; // 1\n}\n\n// 1. Browsers set a default `min-width: min-content;` on fieldsets,\n//    unlike e.g. `<div>`s, which have `min-width: 0;` by default.\n//    So we reset that to ensure fieldsets behave more like a standard block element.\n//    See https://github.com/twbs/bootstrap/issues/12359\n//    and https://html.spec.whatwg.org/multipage/#the-fieldset-and-legend-elements\n// 2. Reset the default outline behavior of fieldsets so they don't affect page layout.\n\nfieldset {\n  min-width: 0; // 1\n  padding: 0; // 2\n  margin: 0; // 2\n  border: 0; // 2\n}\n\n// 1. By using `float: left`, the legend will behave like a block element.\n//    This way the border of a fieldset wraps around the legend if present.\n// 2. Fix wrapping bug.\n//    See https://github.com/twbs/bootstrap/issues/29712\n\nlegend {\n  float: left; // 1\n  width: 100%;\n  padding: 0;\n  margin-bottom: $legend-margin-bottom;\n  @include font-size($legend-font-size);\n  font-weight: $legend-font-weight;\n  line-height: inherit;\n\n  + * {\n    clear: left; // 2\n  }\n}\n\n// Fix height of inputs with a type of datetime-local, date, month, week, or time\n// See https://github.com/twbs/bootstrap/issues/18842\n\n::-webkit-datetime-edit-fields-wrapper,\n::-webkit-datetime-edit-text,\n::-webkit-datetime-edit-minute,\n::-webkit-datetime-edit-hour-field,\n::-webkit-datetime-edit-day-field,\n::-webkit-datetime-edit-month-field,\n::-webkit-datetime-edit-year-field {\n  padding: 0;\n}\n\n::-webkit-inner-spin-button {\n  height: auto;\n}\n\n// 1. This overrides the extra rounded corners on search inputs in iOS so that our\n//    `.form-control` class can properly style them. Note that this cannot simply\n//    be added to `.form-control` as it's not specific enough. For details, see\n//    https://github.com/twbs/bootstrap/issues/11586.\n// 2. Correct the outline style in Safari.\n\n[type=\"search\"] {\n  -webkit-appearance: textfield; // 1\n  outline-offset: -2px; // 2\n}\n\n// 1. A few input types should stay LTR\n// See https://rtlstyling.com/posts/rtl-styling#form-inputs\n// 2. RTL only output\n// See https://rtlcss.com/learn/usage-guide/control-directives/#raw\n\n/* rtl:raw:\n[type=\"tel\"],\n[type=\"url\"],\n[type=\"email\"],\n[type=\"number\"] {\n  direction: ltr;\n}\n*/\n\n// Remove the inner padding in Chrome and Safari on macOS.\n\n::-webkit-search-decoration {\n  -webkit-appearance: none;\n}\n\n// Remove padding around color pickers in webkit browsers\n\n::-webkit-color-swatch-wrapper {\n  padding: 0;\n}\n\n\n// 1. Inherit font family and line height for file input buttons\n// 2. Correct the inability to style clickable types in iOS and Safari.\n\n::file-selector-button {\n  font: inherit; // 1\n  -webkit-appearance: button; // 2\n}\n\n// Correct element displays\n\noutput {\n  display: inline-block;\n}\n\n// Remove border from iframe\n\niframe {\n  border: 0;\n}\n\n// Summary\n//\n// 1. Add the correct display in all browsers\n\nsummary {\n  display: list-item; // 1\n  cursor: pointer;\n}\n\n\n// Progress\n//\n// Add the correct vertical alignment in Chrome, Firefox, and Opera.\n\nprogress {\n  vertical-align: baseline;\n}\n\n\n// Hidden attribute\n//\n// Always hide an element with the `hidden` HTML attribute.\n\n[hidden] {\n  display: none !important;\n}\n","// Variables\n//\n// Variables should follow the `$component-state-property-size` formula for\n// consistent naming. Ex: $nav-link-disabled-color and $modal-content-box-shadow-xs.\n\n// Color system\n\n// scss-docs-start gray-color-variables\n$white:    #fff !default;\n$gray-100: #f8f9fa !default;\n$gray-200: #e9ecef !default;\n$gray-300: #dee2e6 !default;\n$gray-400: #ced4da !default;\n$gray-500: #adb5bd !default;\n$gray-600: #6c757d !default;\n$gray-700: #495057 !default;\n$gray-800: #343a40 !default;\n$gray-900: #212529 !default;\n$black:    #000 !default;\n// scss-docs-end gray-color-variables\n\n// fusv-disable\n// scss-docs-start gray-colors-map\n$grays: (\n  \"100\": $gray-100,\n  \"200\": $gray-200,\n  \"300\": $gray-300,\n  \"400\": $gray-400,\n  \"500\": $gray-500,\n  \"600\": $gray-600,\n  \"700\": $gray-700,\n  \"800\": $gray-800,\n  \"900\": $gray-900\n) !default;\n// scss-docs-end gray-colors-map\n// fusv-enable\n\n// scss-docs-start color-variables\n$blue:    #0d6efd !default;\n$indigo:  #6610f2 !default;\n$purple:  #6f42c1 !default;\n$pink:    #d63384 !default;\n$red:     #dc3545 !default;\n$orange:  #fd7e14 !default;\n$yellow:  #ffc107 !default;\n$green:   #198754 !default;\n$teal:    #20c997 !default;\n$cyan:    #0dcaf0 !default;\n// scss-docs-end color-variables\n\n// scss-docs-start colors-map\n$colors: (\n  \"blue\":       $blue,\n  \"indigo\":     $indigo,\n  \"purple\":     $purple,\n  \"pink\":       $pink,\n  \"red\":        $red,\n  \"orange\":     $orange,\n  \"yellow\":     $yellow,\n  \"green\":      $green,\n  \"teal\":       $teal,\n  \"cyan\":       $cyan,\n  \"black\":      $black,\n  \"white\":      $white,\n  \"gray\":       $gray-600,\n  \"gray-dark\":  $gray-800\n) !default;\n// scss-docs-end colors-map\n\n// The contrast ratio to reach against white, to determine if color changes from \"light\" to \"dark\". Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n$min-contrast-ratio:   4.5 !default;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$color-contrast-dark:      $black !default;\n$color-contrast-light:     $white !default;\n\n// fusv-disable\n$blue-100: tint-color($blue, 80%) !default;\n$blue-200: tint-color($blue, 60%) !default;\n$blue-300: tint-color($blue, 40%) !default;\n$blue-400: tint-color($blue, 20%) !default;\n$blue-500: $blue !default;\n$blue-600: shade-color($blue, 20%) !default;\n$blue-700: shade-color($blue, 40%) !default;\n$blue-800: shade-color($blue, 60%) !default;\n$blue-900: shade-color($blue, 80%) !default;\n\n$indigo-100: tint-color($indigo, 80%) !default;\n$indigo-200: tint-color($indigo, 60%) !default;\n$indigo-300: tint-color($indigo, 40%) !default;\n$indigo-400: tint-color($indigo, 20%) !default;\n$indigo-500: $indigo !default;\n$indigo-600: shade-color($indigo, 20%) !default;\n$indigo-700: shade-color($indigo, 40%) !default;\n$indigo-800: shade-color($indigo, 60%) !default;\n$indigo-900: shade-color($indigo, 80%) !default;\n\n$purple-100: tint-color($purple, 80%) !default;\n$purple-200: tint-color($purple, 60%) !default;\n$purple-300: tint-color($purple, 40%) !default;\n$purple-400: tint-color($purple, 20%) !default;\n$purple-500: $purple !default;\n$purple-600: shade-color($purple, 20%) !default;\n$purple-700: shade-color($purple, 40%) !default;\n$purple-800: shade-color($purple, 60%) !default;\n$purple-900: shade-color($purple, 80%) !default;\n\n$pink-100: tint-color($pink, 80%) !default;\n$pink-200: tint-color($pink, 60%) !default;\n$pink-300: tint-color($pink, 40%) !default;\n$pink-400: tint-color($pink, 20%) !default;\n$pink-500: $pink !default;\n$pink-600: shade-color($pink, 20%) !default;\n$pink-700: shade-color($pink, 40%) !default;\n$pink-800: shade-color($pink, 60%) !default;\n$pink-900: shade-color($pink, 80%) !default;\n\n$red-100: tint-color($red, 80%) !default;\n$red-200: tint-color($red, 60%) !default;\n$red-300: tint-color($red, 40%) !default;\n$red-400: tint-color($red, 20%) !default;\n$red-500: $red !default;\n$red-600: shade-color($red, 20%) !default;\n$red-700: shade-color($red, 40%) !default;\n$red-800: shade-color($red, 60%) !default;\n$red-900: shade-color($red, 80%) !default;\n\n$orange-100: tint-color($orange, 80%) !default;\n$orange-200: tint-color($orange, 60%) !default;\n$orange-300: tint-color($orange, 40%) !default;\n$orange-400: tint-color($orange, 20%) !default;\n$orange-500: $orange !default;\n$orange-600: shade-color($orange, 20%) !default;\n$orange-700: shade-color($orange, 40%) !default;\n$orange-800: shade-color($orange, 60%) !default;\n$orange-900: shade-color($orange, 80%) !default;\n\n$yellow-100: tint-color($yellow, 80%) !default;\n$yellow-200: tint-color($yellow, 60%) !default;\n$yellow-300: tint-color($yellow, 40%) !default;\n$yellow-400: tint-color($yellow, 20%) !default;\n$yellow-500: $yellow !default;\n$yellow-600: shade-color($yellow, 20%) !default;\n$yellow-700: shade-color($yellow, 40%) !default;\n$yellow-800: shade-color($yellow, 60%) !default;\n$yellow-900: shade-color($yellow, 80%) !default;\n\n$green-100: tint-color($green, 80%) !default;\n$green-200: tint-color($green, 60%) !default;\n$green-300: tint-color($green, 40%) !default;\n$green-400: tint-color($green, 20%) !default;\n$green-500: $green !default;\n$green-600: shade-color($green, 20%) !default;\n$green-700: shade-color($green, 40%) !default;\n$green-800: shade-color($green, 60%) !default;\n$green-900: shade-color($green, 80%) !default;\n\n$teal-100: tint-color($teal, 80%) !default;\n$teal-200: tint-color($teal, 60%) !default;\n$teal-300: tint-color($teal, 40%) !default;\n$teal-400: tint-color($teal, 20%) !default;\n$teal-500: $teal !default;\n$teal-600: shade-color($teal, 20%) !default;\n$teal-700: shade-color($teal, 40%) !default;\n$teal-800: shade-color($teal, 60%) !default;\n$teal-900: shade-color($teal, 80%) !default;\n\n$cyan-100: tint-color($cyan, 80%) !default;\n$cyan-200: tint-color($cyan, 60%) !default;\n$cyan-300: tint-color($cyan, 40%) !default;\n$cyan-400: tint-color($cyan, 20%) !default;\n$cyan-500: $cyan !default;\n$cyan-600: shade-color($cyan, 20%) !default;\n$cyan-700: shade-color($cyan, 40%) !default;\n$cyan-800: shade-color($cyan, 60%) !default;\n$cyan-900: shade-color($cyan, 80%) !default;\n\n$blues: (\n  \"blue-100\": $blue-100,\n  \"blue-200\": $blue-200,\n  \"blue-300\": $blue-300,\n  \"blue-400\": $blue-400,\n  \"blue-500\": $blue-500,\n  \"blue-600\": $blue-600,\n  \"blue-700\": $blue-700,\n  \"blue-800\": $blue-800,\n  \"blue-900\": $blue-900\n) !default;\n\n$indigos: (\n  \"indigo-100\": $indigo-100,\n  \"indigo-200\": $indigo-200,\n  \"indigo-300\": $indigo-300,\n  \"indigo-400\": $indigo-400,\n  \"indigo-500\": $indigo-500,\n  \"indigo-600\": $indigo-600,\n  \"indigo-700\": $indigo-700,\n  \"indigo-800\": $indigo-800,\n  \"indigo-900\": $indigo-900\n) !default;\n\n$purples: (\n  \"purple-100\": $purple-100,\n  \"purple-200\": $purple-200,\n  \"purple-300\": $purple-300,\n  \"purple-400\": $purple-400,\n  \"purple-500\": $purple-500,\n  \"purple-600\": $purple-600,\n  \"purple-700\": $purple-700,\n  \"purple-800\": $purple-800,\n  \"purple-900\": $purple-900\n) !default;\n\n$pinks: (\n  \"pink-100\": $pink-100,\n  \"pink-200\": $pink-200,\n  \"pink-300\": $pink-300,\n  \"pink-400\": $pink-400,\n  \"pink-500\": $pink-500,\n  \"pink-600\": $pink-600,\n  \"pink-700\": $pink-700,\n  \"pink-800\": $pink-800,\n  \"pink-900\": $pink-900\n) !default;\n\n$reds: (\n  \"red-100\": $red-100,\n  \"red-200\": $red-200,\n  \"red-300\": $red-300,\n  \"red-400\": $red-400,\n  \"red-500\": $red-500,\n  \"red-600\": $red-600,\n  \"red-700\": $red-700,\n  \"red-800\": $red-800,\n  \"red-900\": $red-900\n) !default;\n\n$oranges: (\n  \"orange-100\": $orange-100,\n  \"orange-200\": $orange-200,\n  \"orange-300\": $orange-300,\n  \"orange-400\": $orange-400,\n  \"orange-500\": $orange-500,\n  \"orange-600\": $orange-600,\n  \"orange-700\": $orange-700,\n  \"orange-800\": $orange-800,\n  \"orange-900\": $orange-900\n) !default;\n\n$yellows: (\n  \"yellow-100\": $yellow-100,\n  \"yellow-200\": $yellow-200,\n  \"yellow-300\": $yellow-300,\n  \"yellow-400\": $yellow-400,\n  \"yellow-500\": $yellow-500,\n  \"yellow-600\": $yellow-600,\n  \"yellow-700\": $yellow-700,\n  \"yellow-800\": $yellow-800,\n  \"yellow-900\": $yellow-900\n) !default;\n\n$greens: (\n  \"green-100\": $green-100,\n  \"green-200\": $green-200,\n  \"green-300\": $green-300,\n  \"green-400\": $green-400,\n  \"green-500\": $green-500,\n  \"green-600\": $green-600,\n  \"green-700\": $green-700,\n  \"green-800\": $green-800,\n  \"green-900\": $green-900\n) !default;\n\n$teals: (\n  \"teal-100\": $teal-100,\n  \"teal-200\": $teal-200,\n  \"teal-300\": $teal-300,\n  \"teal-400\": $teal-400,\n  \"teal-500\": $teal-500,\n  \"teal-600\": $teal-600,\n  \"teal-700\": $teal-700,\n  \"teal-800\": $teal-800,\n  \"teal-900\": $teal-900\n) !default;\n\n$cyans: (\n  \"cyan-100\": $cyan-100,\n  \"cyan-200\": $cyan-200,\n  \"cyan-300\": $cyan-300,\n  \"cyan-400\": $cyan-400,\n  \"cyan-500\": $cyan-500,\n  \"cyan-600\": $cyan-600,\n  \"cyan-700\": $cyan-700,\n  \"cyan-800\": $cyan-800,\n  \"cyan-900\": $cyan-900\n) !default;\n// fusv-enable\n\n// scss-docs-start theme-color-variables\n$primary:       $blue !default;\n$secondary:     $gray-600 !default;\n$success:       $green !default;\n$info:          $cyan !default;\n$warning:       $yellow !default;\n$danger:        $red !default;\n$light:         $gray-100 !default;\n$dark:          $gray-900 !default;\n// scss-docs-end theme-color-variables\n\n// scss-docs-start theme-colors-map\n$theme-colors: (\n  \"primary\":    $primary,\n  \"secondary\":  $secondary,\n  \"success\":    $success,\n  \"info\":       $info,\n  \"warning\":    $warning,\n  \"danger\":     $danger,\n  \"light\":      $light,\n  \"dark\":       $dark\n) !default;\n// scss-docs-end theme-colors-map\n\n// scss-docs-start theme-text-variables\n$primary-text-emphasis:   shade-color($primary, 60%) !default;\n$secondary-text-emphasis: shade-color($secondary, 60%) !default;\n$success-text-emphasis:   shade-color($success, 60%) !default;\n$info-text-emphasis:      shade-color($info, 60%) !default;\n$warning-text-emphasis:   shade-color($warning, 60%) !default;\n$danger-text-emphasis:    shade-color($danger, 60%) !default;\n$light-text-emphasis:     $gray-700 !default;\n$dark-text-emphasis:      $gray-700 !default;\n// scss-docs-end theme-text-variables\n\n// scss-docs-start theme-bg-subtle-variables\n$primary-bg-subtle:       tint-color($primary, 80%) !default;\n$secondary-bg-subtle:     tint-color($secondary, 80%) !default;\n$success-bg-subtle:       tint-color($success, 80%) !default;\n$info-bg-subtle:          tint-color($info, 80%) !default;\n$warning-bg-subtle:       tint-color($warning, 80%) !default;\n$danger-bg-subtle:        tint-color($danger, 80%) !default;\n$light-bg-subtle:         mix($gray-100, $white) !default;\n$dark-bg-subtle:          $gray-400 !default;\n// scss-docs-end theme-bg-subtle-variables\n\n// scss-docs-start theme-border-subtle-variables\n$primary-border-subtle:   tint-color($primary, 60%) !default;\n$secondary-border-subtle: tint-color($secondary, 60%) !default;\n$success-border-subtle:   tint-color($success, 60%) !default;\n$info-border-subtle:      tint-color($info, 60%) !default;\n$warning-border-subtle:   tint-color($warning, 60%) !default;\n$danger-border-subtle:    tint-color($danger, 60%) !default;\n$light-border-subtle:     $gray-200 !default;\n$dark-border-subtle:      $gray-500 !default;\n// scss-docs-end theme-border-subtle-variables\n\n// Characters which are escaped by the escape-svg function\n$escaped-characters: (\n  (\"<\", \"%3c\"),\n  (\">\", \"%3e\"),\n  (\"#\", \"%23\"),\n  (\"(\", \"%28\"),\n  (\")\", \"%29\"),\n) !default;\n\n// Options\n//\n// Quickly modify global styling by enabling or disabling optional features.\n\n$enable-caret:                true !default;\n$enable-rounded:              true !default;\n$enable-shadows:              false !default;\n$enable-gradients:            false !default;\n$enable-transitions:          true !default;\n$enable-reduced-motion:       true !default;\n$enable-smooth-scroll:        true !default;\n$enable-grid-classes:         true !default;\n$enable-container-classes:    true !default;\n$enable-cssgrid:              false !default;\n$enable-button-pointers:      true !default;\n$enable-rfs:                  true !default;\n$enable-validation-icons:     true !default;\n$enable-negative-margins:     false !default;\n$enable-deprecation-messages: true !default;\n$enable-important-utilities:  true !default;\n\n$enable-dark-mode:            true !default;\n$color-mode-type:             data !default; // `data` or `media-query`\n\n// Prefix for :root CSS variables\n\n$variable-prefix:             bs- !default; // Deprecated in v5.2.0 for the shorter `$prefix`\n$prefix:                      $variable-prefix !default;\n\n// Gradient\n//\n// The gradient which is added to components if `$enable-gradients` is `true`\n// This gradient is also added to elements with `.bg-gradient`\n// scss-docs-start variable-gradient\n$gradient: linear-gradient(180deg, rgba($white, .15), rgba($white, 0)) !default;\n// scss-docs-end variable-gradient\n\n// Spacing\n//\n// Control the default styling of most Bootstrap elements by modifying these\n// variables. Mostly focused on spacing.\n// You can add more entries to the $spacers map, should you need more variation.\n\n// scss-docs-start spacer-variables-maps\n$spacer: 1rem !default;\n$spacers: (\n  0: 0,\n  1: $spacer * .25,\n  2: $spacer * .5,\n  3: $spacer,\n  4: $spacer * 1.5,\n  5: $spacer * 3,\n) !default;\n// scss-docs-end spacer-variables-maps\n\n// Position\n//\n// Define the edge positioning anchors of the position utilities.\n\n// scss-docs-start position-map\n$position-values: (\n  0: 0,\n  50: 50%,\n  100: 100%\n) !default;\n// scss-docs-end position-map\n\n// Body\n//\n// Settings for the `<body>` element.\n\n$body-text-align:           null !default;\n$body-color:                $gray-900 !default;\n$body-bg:                   $white !default;\n\n$body-secondary-color:      rgba($body-color, .75) !default;\n$body-secondary-bg:         $gray-200 !default;\n\n$body-tertiary-color:       rgba($body-color, .5) !default;\n$body-tertiary-bg:          $gray-100 !default;\n\n$body-emphasis-color:       $black !default;\n\n// Links\n//\n// Style anchor elements.\n\n$link-color:                              $primary !default;\n$link-decoration:                         underline !default;\n$link-shade-percentage:                   20% !default;\n$link-hover-color:                        shift-color($link-color, $link-shade-percentage) !default;\n$link-hover-decoration:                   null !default;\n\n$stretched-link-pseudo-element:           after !default;\n$stretched-link-z-index:                  1 !default;\n\n// Icon links\n// scss-docs-start icon-link-variables\n$icon-link-gap:               .375rem !default;\n$icon-link-underline-offset:  .25em !default;\n$icon-link-icon-size:         1em !default;\n$icon-link-icon-transition:   .2s ease-in-out transform !default;\n$icon-link-icon-transform:    translate3d(.25em, 0, 0) !default;\n// scss-docs-end icon-link-variables\n\n// Paragraphs\n//\n// Style p element.\n\n$paragraph-margin-bottom:   1rem !default;\n\n\n// Grid breakpoints\n//\n// Define the minimum dimensions at which your layout will change,\n// adapting to different screen sizes, for use in media queries.\n\n// scss-docs-start grid-breakpoints\n$grid-breakpoints: (\n  xs: 0,\n  sm: 576px,\n  md: 768px,\n  lg: 992px,\n  xl: 1200px,\n  xxl: 1400px\n) !default;\n// scss-docs-end grid-breakpoints\n\n@include _assert-ascending($grid-breakpoints, \"$grid-breakpoints\");\n@include _assert-starts-at-zero($grid-breakpoints, \"$grid-breakpoints\");\n\n\n// Grid containers\n//\n// Define the maximum width of `.container` for different screen sizes.\n\n// scss-docs-start container-max-widths\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1140px,\n  xxl: 1320px\n) !default;\n// scss-docs-end container-max-widths\n\n@include _assert-ascending($container-max-widths, \"$container-max-widths\");\n\n\n// Grid columns\n//\n// Set the number of columns and specify the width of the gutters.\n\n$grid-columns:                12 !default;\n$grid-gutter-width:           1.5rem !default;\n$grid-row-columns:            6 !default;\n\n// Container padding\n\n$container-padding-x: $grid-gutter-width !default;\n\n\n// Components\n//\n// Define common padding and border radius sizes and more.\n\n// scss-docs-start border-variables\n$border-width:                1px !default;\n$border-widths: (\n  1: 1px,\n  2: 2px,\n  3: 3px,\n  4: 4px,\n  5: 5px\n) !default;\n$border-style:                solid !default;\n$border-color:                $gray-300 !default;\n$border-color-translucent:    rgba($black, .175) !default;\n// scss-docs-end border-variables\n\n// scss-docs-start border-radius-variables\n$border-radius:               .375rem !default;\n$border-radius-sm:            .25rem !default;\n$border-radius-lg:            .5rem !default;\n$border-radius-xl:            1rem !default;\n$border-radius-xxl:           2rem !default;\n$border-radius-pill:          50rem !default;\n// scss-docs-end border-radius-variables\n// fusv-disable\n$border-radius-2xl:           $border-radius-xxl !default; // Deprecated in v5.3.0\n// fusv-enable\n\n// scss-docs-start box-shadow-variables\n$box-shadow:                  0 .5rem 1rem rgba($black, .15) !default;\n$box-shadow-sm:               0 .125rem .25rem rgba($black, .075) !default;\n$box-shadow-lg:               0 1rem 3rem rgba($black, .175) !default;\n$box-shadow-inset:            inset 0 1px 2px rgba($black, .075) !default;\n// scss-docs-end box-shadow-variables\n\n$component-active-color:      $white !default;\n$component-active-bg:         $primary !default;\n\n// scss-docs-start focus-ring-variables\n$focus-ring-width:      .25rem !default;\n$focus-ring-opacity:    .25 !default;\n$focus-ring-color:      rgba($primary, $focus-ring-opacity) !default;\n$focus-ring-blur:       0 !default;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color !default;\n// scss-docs-end focus-ring-variables\n\n// scss-docs-start caret-variables\n$caret-width:                 .3em !default;\n$caret-vertical-align:        $caret-width * .85 !default;\n$caret-spacing:               $caret-width * .85 !default;\n// scss-docs-end caret-variables\n\n$transition-base:             all .2s ease-in-out !default;\n$transition-fade:             opacity .15s linear !default;\n// scss-docs-start collapse-transition\n$transition-collapse:         height .35s ease !default;\n$transition-collapse-width:   width .35s ease !default;\n// scss-docs-end collapse-transition\n\n// stylelint-disable function-disallowed-list\n// scss-docs-start aspect-ratios\n$aspect-ratios: (\n  \"1x1\": 100%,\n  \"4x3\": calc(3 / 4 * 100%),\n  \"16x9\": calc(9 / 16 * 100%),\n  \"21x9\": calc(9 / 21 * 100%)\n) !default;\n// scss-docs-end aspect-ratios\n// stylelint-enable function-disallowed-list\n\n// Typography\n//\n// Font, line-height, and color for body text, headings, and more.\n\n// scss-docs-start font-variables\n// stylelint-disable value-keyword-case\n$font-family-sans-serif:      system-ui, -apple-system, \"Segoe UI\", Roboto, \"Helvetica Neue\", \"Noto Sans\", \"Liberation Sans\", Arial, sans-serif, \"Apple Color Emoji\", \"Segoe UI Emoji\", \"Segoe UI Symbol\", \"Noto Color Emoji\" !default;\n$font-family-monospace:       SFMono-Regular, Menlo, Monaco, Consolas, \"Liberation Mono\", \"Courier New\", monospace !default;\n// stylelint-enable value-keyword-case\n$font-family-base:            var(--#{$prefix}font-sans-serif) !default;\n$font-family-code:            var(--#{$prefix}font-monospace) !default;\n\n// $font-size-root affects the value of `rem`, which is used for as well font sizes, paddings, and margins\n// $font-size-base affects the font size of the body text\n$font-size-root:              null !default;\n$font-size-base:              1rem !default; // Assumes the browser default, typically `16px`\n$font-size-sm:                $font-size-base * .875 !default;\n$font-size-lg:                $font-size-base * 1.25 !default;\n\n$font-weight-lighter:         lighter !default;\n$font-weight-light:           300 !default;\n$font-weight-normal:          400 !default;\n$font-weight-medium:          500 !default;\n$font-weight-semibold:        600 !default;\n$font-weight-bold:            700 !default;\n$font-weight-bolder:          bolder !default;\n\n$font-weight-base:            $font-weight-normal !default;\n\n$line-height-base:            1.5 !default;\n$line-height-sm:              1.25 !default;\n$line-height-lg:              2 !default;\n\n$h1-font-size:                $font-size-base * 2.5 !default;\n$h2-font-size:                $font-size-base * 2 !default;\n$h3-font-size:                $font-size-base * 1.75 !default;\n$h4-font-size:                $font-size-base * 1.5 !default;\n$h5-font-size:                $font-size-base * 1.25 !default;\n$h6-font-size:                $font-size-base !default;\n// scss-docs-end font-variables\n\n// scss-docs-start font-sizes\n$font-sizes: (\n  1: $h1-font-size,\n  2: $h2-font-size,\n  3: $h3-font-size,\n  4: $h4-font-size,\n  5: $h5-font-size,\n  6: $h6-font-size\n) !default;\n// scss-docs-end font-sizes\n\n// scss-docs-start headings-variables\n$headings-margin-bottom:      $spacer * .5 !default;\n$headings-font-family:        null !default;\n$headings-font-style:         null !default;\n$headings-font-weight:        500 !default;\n$headings-line-height:        1.2 !default;\n$headings-color:              inherit !default;\n// scss-docs-end headings-variables\n\n// scss-docs-start display-headings\n$display-font-sizes: (\n  1: 5rem,\n  2: 4.5rem,\n  3: 4rem,\n  4: 3.5rem,\n  5: 3rem,\n  6: 2.5rem\n) !default;\n\n$display-font-family: null !default;\n$display-font-style:  null !default;\n$display-font-weight: 300 !default;\n$display-line-height: $headings-line-height !default;\n// scss-docs-end display-headings\n\n// scss-docs-start type-variables\n$lead-font-size:              $font-size-base * 1.25 !default;\n$lead-font-weight:            300 !default;\n\n$small-font-size:             .875em !default;\n\n$sub-sup-font-size:           .75em !default;\n\n// fusv-disable\n$text-muted:                  var(--#{$prefix}secondary-color) !default; // Deprecated in 5.3.0\n// fusv-enable\n\n$initialism-font-size:        $small-font-size !default;\n\n$blockquote-margin-y:         $spacer !default;\n$blockquote-font-size:        $font-size-base * 1.25 !default;\n$blockquote-footer-color:     $gray-600 !default;\n$blockquote-footer-font-size: $small-font-size !default;\n\n$hr-margin-y:                 $spacer !default;\n$hr-color:                    inherit !default;\n\n// fusv-disable\n$hr-bg-color:                 null !default; // Deprecated in v5.2.0\n$hr-height:                   null !default; // Deprecated in v5.2.0\n// fusv-enable\n\n$hr-border-color:             null !default; // Allows for inherited colors\n$hr-border-width:             var(--#{$prefix}border-width) !default;\n$hr-opacity:                  .25 !default;\n\n// scss-docs-start vr-variables\n$vr-border-width:             var(--#{$prefix}border-width) !default;\n// scss-docs-end vr-variables\n\n$legend-margin-bottom:        .5rem !default;\n$legend-font-size:            1.5rem !default;\n$legend-font-weight:          null !default;\n\n$dt-font-weight:              $font-weight-bold !default;\n\n$list-inline-padding:         .5rem !default;\n\n$mark-padding:                .1875em !default;\n$mark-color:                  $body-color !default;\n$mark-bg:                     $yellow-100 !default;\n// scss-docs-end type-variables\n\n\n// Tables\n//\n// Customizes the `.table` component with basic values, each used across all table variations.\n\n// scss-docs-start table-variables\n$table-cell-padding-y:        .5rem !default;\n$table-cell-padding-x:        .5rem !default;\n$table-cell-padding-y-sm:     .25rem !default;\n$table-cell-padding-x-sm:     .25rem !default;\n\n$table-cell-vertical-align:   top !default;\n\n$table-color:                 var(--#{$prefix}emphasis-color) !default;\n$table-bg:                    var(--#{$prefix}body-bg) !default;\n$table-accent-bg:             transparent !default;\n\n$table-th-font-weight:        null !default;\n\n$table-striped-color:         $table-color !default;\n$table-striped-bg-factor:     .05 !default;\n$table-striped-bg:            rgba(var(--#{$prefix}emphasis-color-rgb), $table-striped-bg-factor) !default;\n\n$table-active-color:          $table-color !default;\n$table-active-bg-factor:      .1 !default;\n$table-active-bg:             rgba(var(--#{$prefix}emphasis-color-rgb), $table-active-bg-factor) !default;\n\n$table-hover-color:           $table-color !default;\n$table-hover-bg-factor:       .075 !default;\n$table-hover-bg:              rgba(var(--#{$prefix}emphasis-color-rgb), $table-hover-bg-factor) !default;\n\n$table-border-factor:         .2 !default;\n$table-border-width:          var(--#{$prefix}border-width) !default;\n$table-border-color:          var(--#{$prefix}border-color) !default;\n\n$table-striped-order:         odd !default;\n$table-striped-columns-order: even !default;\n\n$table-group-separator-color: currentcolor !default;\n\n$table-caption-color:         var(--#{$prefix}secondary-color) !default;\n\n$table-bg-scale:              -80% !default;\n// scss-docs-end table-variables\n\n// scss-docs-start table-loop\n$table-variants: (\n  \"primary\":    shift-color($primary, $table-bg-scale),\n  \"secondary\":  shift-color($secondary, $table-bg-scale),\n  \"success\":    shift-color($success, $table-bg-scale),\n  \"info\":       shift-color($info, $table-bg-scale),\n  \"warning\":    shift-color($warning, $table-bg-scale),\n  \"danger\":     shift-color($danger, $table-bg-scale),\n  \"light\":      $light,\n  \"dark\":       $dark,\n) !default;\n// scss-docs-end table-loop\n\n\n// Buttons + Forms\n//\n// Shared variables that are reassigned to `$input-` and `$btn-` specific variables.\n\n// scss-docs-start input-btn-variables\n$input-btn-padding-y:         .375rem !default;\n$input-btn-padding-x:         .75rem !default;\n$input-btn-font-family:       null !default;\n$input-btn-font-size:         $font-size-base !default;\n$input-btn-line-height:       $line-height-base !default;\n\n$input-btn-focus-width:         $focus-ring-width !default;\n$input-btn-focus-color-opacity: $focus-ring-opacity !default;\n$input-btn-focus-color:         $focus-ring-color !default;\n$input-btn-focus-blur:          $focus-ring-blur !default;\n$input-btn-focus-box-shadow:    $focus-ring-box-shadow !default;\n\n$input-btn-padding-y-sm:      .25rem !default;\n$input-btn-padding-x-sm:      .5rem !default;\n$input-btn-font-size-sm:      $font-size-sm !default;\n\n$input-btn-padding-y-lg:      .5rem !default;\n$input-btn-padding-x-lg:      1rem !default;\n$input-btn-font-size-lg:      $font-size-lg !default;\n\n$input-btn-border-width:      var(--#{$prefix}border-width) !default;\n// scss-docs-end input-btn-variables\n\n\n// Buttons\n//\n// For each of Bootstrap's buttons, define text, background, and border color.\n\n// scss-docs-start btn-variables\n$btn-color:                   var(--#{$prefix}body-color) !default;\n$btn-padding-y:               $input-btn-padding-y !default;\n$btn-padding-x:               $input-btn-padding-x !default;\n$btn-font-family:             $input-btn-font-family !default;\n$btn-font-size:               $input-btn-font-size !default;\n$btn-line-height:             $input-btn-line-height !default;\n$btn-white-space:             null !default; // Set to `nowrap` to prevent text wrapping\n\n$btn-padding-y-sm:            $input-btn-padding-y-sm !default;\n$btn-padding-x-sm:            $input-btn-padding-x-sm !default;\n$btn-font-size-sm:            $input-btn-font-size-sm !default;\n\n$btn-padding-y-lg:            $input-btn-padding-y-lg !default;\n$btn-padding-x-lg:            $input-btn-padding-x-lg !default;\n$btn-font-size-lg:            $input-btn-font-size-lg !default;\n\n$btn-border-width:            $input-btn-border-width !default;\n\n$btn-font-weight:             $font-weight-normal !default;\n$btn-box-shadow:              inset 0 1px 0 rgba($white, .15), 0 1px 1px rgba($black, .075) !default;\n$btn-focus-width:             $input-btn-focus-width !default;\n$btn-focus-box-shadow:        $input-btn-focus-box-shadow !default;\n$btn-disabled-opacity:        .65 !default;\n$btn-active-box-shadow:       inset 0 3px 5px rgba($black, .125) !default;\n\n$btn-link-color:              var(--#{$prefix}link-color) !default;\n$btn-link-hover-color:        var(--#{$prefix}link-hover-color) !default;\n$btn-link-disabled-color:     $gray-600 !default;\n$btn-link-focus-shadow-rgb:   to-rgb(mix(color-contrast($link-color), $link-color, 15%)) !default;\n\n// Allows for customizing button radius independently from global border radius\n$btn-border-radius:           var(--#{$prefix}border-radius) !default;\n$btn-border-radius-sm:        var(--#{$prefix}border-radius-sm) !default;\n$btn-border-radius-lg:        var(--#{$prefix}border-radius-lg) !default;\n\n$btn-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$btn-hover-bg-shade-amount:       15% !default;\n$btn-hover-bg-tint-amount:        15% !default;\n$btn-hover-border-shade-amount:   20% !default;\n$btn-hover-border-tint-amount:    10% !default;\n$btn-active-bg-shade-amount:      20% !default;\n$btn-active-bg-tint-amount:       20% !default;\n$btn-active-border-shade-amount:  25% !default;\n$btn-active-border-tint-amount:   10% !default;\n// scss-docs-end btn-variables\n\n\n// Forms\n\n// scss-docs-start form-text-variables\n$form-text-margin-top:                  .25rem !default;\n$form-text-font-size:                   $small-font-size !default;\n$form-text-font-style:                  null !default;\n$form-text-font-weight:                 null !default;\n$form-text-color:                       var(--#{$prefix}secondary-color) !default;\n// scss-docs-end form-text-variables\n\n// scss-docs-start form-label-variables\n$form-label-margin-bottom:              .5rem !default;\n$form-label-font-size:                  null !default;\n$form-label-font-style:                 null !default;\n$form-label-font-weight:                null !default;\n$form-label-color:                      null !default;\n// scss-docs-end form-label-variables\n\n// scss-docs-start form-input-variables\n$input-padding-y:                       $input-btn-padding-y !default;\n$input-padding-x:                       $input-btn-padding-x !default;\n$input-font-family:                     $input-btn-font-family !default;\n$input-font-size:                       $input-btn-font-size !default;\n$input-font-weight:                     $font-weight-base !default;\n$input-line-height:                     $input-btn-line-height !default;\n\n$input-padding-y-sm:                    $input-btn-padding-y-sm !default;\n$input-padding-x-sm:                    $input-btn-padding-x-sm !default;\n$input-font-size-sm:                    $input-btn-font-size-sm !default;\n\n$input-padding-y-lg:                    $input-btn-padding-y-lg !default;\n$input-padding-x-lg:                    $input-btn-padding-x-lg !default;\n$input-font-size-lg:                    $input-btn-font-size-lg !default;\n\n$input-bg:                              var(--#{$prefix}body-bg) !default;\n$input-disabled-color:                  null !default;\n$input-disabled-bg:                     var(--#{$prefix}secondary-bg) !default;\n$input-disabled-border-color:           null !default;\n\n$input-color:                           var(--#{$prefix}body-color) !default;\n$input-border-color:                    var(--#{$prefix}border-color) !default;\n$input-border-width:                    $input-btn-border-width !default;\n$input-box-shadow:                      var(--#{$prefix}box-shadow-inset) !default;\n\n$input-border-radius:                   var(--#{$prefix}border-radius) !default;\n$input-border-radius-sm:                var(--#{$prefix}border-radius-sm) !default;\n$input-border-radius-lg:                var(--#{$prefix}border-radius-lg) !default;\n\n$input-focus-bg:                        $input-bg !default;\n$input-focus-border-color:              tint-color($component-active-bg, 50%) !default;\n$input-focus-color:                     $input-color !default;\n$input-focus-width:                     $input-btn-focus-width !default;\n$input-focus-box-shadow:                $input-btn-focus-box-shadow !default;\n\n$input-placeholder-color:               var(--#{$prefix}secondary-color) !default;\n$input-plaintext-color:                 var(--#{$prefix}body-color) !default;\n\n$input-height-border:                   calc(#{$input-border-width} * 2) !default; // stylelint-disable-line function-disallowed-list\n\n$input-height-inner:                    add($input-line-height * 1em, $input-padding-y * 2) !default;\n$input-height-inner-half:               add($input-line-height * .5em, $input-padding-y) !default;\n$input-height-inner-quarter:            add($input-line-height * .25em, $input-padding-y * .5) !default;\n\n$input-height:                          add($input-line-height * 1em, add($input-padding-y * 2, $input-height-border, false)) !default;\n$input-height-sm:                       add($input-line-height * 1em, add($input-padding-y-sm * 2, $input-height-border, false)) !default;\n$input-height-lg:                       add($input-line-height * 1em, add($input-padding-y-lg * 2, $input-height-border, false)) !default;\n\n$input-transition:                      border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$form-color-width:                      3rem !default;\n// scss-docs-end form-input-variables\n\n// scss-docs-start form-check-variables\n$form-check-input-width:                  1em !default;\n$form-check-min-height:                   $font-size-base * $line-height-base !default;\n$form-check-padding-start:                $form-check-input-width + .5em !default;\n$form-check-margin-bottom:                .125rem !default;\n$form-check-label-color:                  null !default;\n$form-check-label-cursor:                 null !default;\n$form-check-transition:                   null !default;\n\n$form-check-input-active-filter:          brightness(90%) !default;\n\n$form-check-input-bg:                     $input-bg !default;\n$form-check-input-border:                 var(--#{$prefix}border-width) solid var(--#{$prefix}border-color) !default;\n$form-check-input-border-radius:          .25em !default;\n$form-check-radio-border-radius:          50% !default;\n$form-check-input-focus-border:           $input-focus-border-color !default;\n$form-check-input-focus-box-shadow:       $focus-ring-box-shadow !default;\n\n$form-check-input-checked-color:          $component-active-color !default;\n$form-check-input-checked-bg-color:       $component-active-bg !default;\n$form-check-input-checked-border-color:   $form-check-input-checked-bg-color !default;\n$form-check-input-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-checked-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='m6 10 3 3 6-6'/></svg>\") !default;\n$form-check-radio-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='2' fill='#{$form-check-input-checked-color}'/></svg>\") !default;\n\n$form-check-input-indeterminate-color:          $component-active-color !default;\n$form-check-input-indeterminate-bg-color:       $component-active-bg !default;\n$form-check-input-indeterminate-border-color:   $form-check-input-indeterminate-bg-color !default;\n$form-check-input-indeterminate-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-indeterminate-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='M6 10h8'/></svg>\") !default;\n\n$form-check-input-disabled-opacity:        .5 !default;\n$form-check-label-disabled-opacity:        $form-check-input-disabled-opacity !default;\n$form-check-btn-check-disabled-opacity:    $btn-disabled-opacity !default;\n\n$form-check-inline-margin-end:    1rem !default;\n// scss-docs-end form-check-variables\n\n// scss-docs-start form-switch-variables\n$form-switch-color:               rgba($black, .25) !default;\n$form-switch-width:               2em !default;\n$form-switch-padding-start:       $form-switch-width + .5em !default;\n$form-switch-bg-image:            url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-color}'/></svg>\") !default;\n$form-switch-border-radius:       $form-switch-width !default;\n$form-switch-transition:          background-position .15s ease-in-out !default;\n\n$form-switch-focus-color:         $input-focus-border-color !default;\n$form-switch-focus-bg-image:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-focus-color}'/></svg>\") !default;\n\n$form-switch-checked-color:       $component-active-color !default;\n$form-switch-checked-bg-image:    url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-checked-color}'/></svg>\") !default;\n$form-switch-checked-bg-position: right center !default;\n// scss-docs-end form-switch-variables\n\n// scss-docs-start input-group-variables\n$input-group-addon-padding-y:           $input-padding-y !default;\n$input-group-addon-padding-x:           $input-padding-x !default;\n$input-group-addon-font-weight:         $input-font-weight !default;\n$input-group-addon-color:               $input-color !default;\n$input-group-addon-bg:                  var(--#{$prefix}tertiary-bg) !default;\n$input-group-addon-border-color:        $input-border-color !default;\n// scss-docs-end input-group-variables\n\n// scss-docs-start form-select-variables\n$form-select-padding-y:             $input-padding-y !default;\n$form-select-padding-x:             $input-padding-x !default;\n$form-select-font-family:           $input-font-family !default;\n$form-select-font-size:             $input-font-size !default;\n$form-select-indicator-padding:     $form-select-padding-x * 3 !default; // Extra padding for background-image\n$form-select-font-weight:           $input-font-weight !default;\n$form-select-line-height:           $input-line-height !default;\n$form-select-color:                 $input-color !default;\n$form-select-bg:                    $input-bg !default;\n$form-select-disabled-color:        null !default;\n$form-select-disabled-bg:           $input-disabled-bg !default;\n$form-select-disabled-border-color: $input-disabled-border-color !default;\n$form-select-bg-position:           right $form-select-padding-x center !default;\n$form-select-bg-size:               16px 12px !default; // In pixels because image dimensions\n$form-select-indicator-color:       $gray-800 !default;\n$form-select-indicator:             url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'><path fill='none' stroke='#{$form-select-indicator-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='2' d='m2 5 6 6 6-6'/></svg>\") !default;\n\n$form-select-feedback-icon-padding-end: $form-select-padding-x * 2.5 + $form-select-indicator-padding !default;\n$form-select-feedback-icon-position:    center right $form-select-indicator-padding !default;\n$form-select-feedback-icon-size:        $input-height-inner-half $input-height-inner-half !default;\n\n$form-select-border-width:        $input-border-width !default;\n$form-select-border-color:        $input-border-color !default;\n$form-select-border-radius:       $input-border-radius !default;\n$form-select-box-shadow:          var(--#{$prefix}box-shadow-inset) !default;\n\n$form-select-focus-border-color:  $input-focus-border-color !default;\n$form-select-focus-width:         $input-focus-width !default;\n$form-select-focus-box-shadow:    0 0 0 $form-select-focus-width $input-btn-focus-color !default;\n\n$form-select-padding-y-sm:        $input-padding-y-sm !default;\n$form-select-padding-x-sm:        $input-padding-x-sm !default;\n$form-select-font-size-sm:        $input-font-size-sm !default;\n$form-select-border-radius-sm:    $input-border-radius-sm !default;\n\n$form-select-padding-y-lg:        $input-padding-y-lg !default;\n$form-select-padding-x-lg:        $input-padding-x-lg !default;\n$form-select-font-size-lg:        $input-font-size-lg !default;\n$form-select-border-radius-lg:    $input-border-radius-lg !default;\n\n$form-select-transition:          $input-transition !default;\n// scss-docs-end form-select-variables\n\n// scss-docs-start form-range-variables\n$form-range-track-width:          100% !default;\n$form-range-track-height:         .5rem !default;\n$form-range-track-cursor:         pointer !default;\n$form-range-track-bg:             var(--#{$prefix}secondary-bg) !default;\n$form-range-track-border-radius:  1rem !default;\n$form-range-track-box-shadow:     var(--#{$prefix}box-shadow-inset) !default;\n\n$form-range-thumb-width:                   1rem !default;\n$form-range-thumb-height:                  $form-range-thumb-width !default;\n$form-range-thumb-bg:                      $component-active-bg !default;\n$form-range-thumb-border:                  0 !default;\n$form-range-thumb-border-radius:           1rem !default;\n$form-range-thumb-box-shadow:              0 .1rem .25rem rgba($black, .1) !default;\n$form-range-thumb-focus-box-shadow:        0 0 0 1px $body-bg, $input-focus-box-shadow !default;\n$form-range-thumb-focus-box-shadow-width:  $input-focus-width !default; // For focus box shadow issue in Edge\n$form-range-thumb-active-bg:               tint-color($component-active-bg, 70%) !default;\n$form-range-thumb-disabled-bg:             var(--#{$prefix}secondary-color) !default;\n$form-range-thumb-transition:              background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n// scss-docs-end form-range-variables\n\n// scss-docs-start form-file-variables\n$form-file-button-color:          $input-color !default;\n$form-file-button-bg:             var(--#{$prefix}tertiary-bg) !default;\n$form-file-button-hover-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end form-file-variables\n\n// scss-docs-start form-floating-variables\n$form-floating-height:                  add(3.5rem, $input-height-border) !default;\n$form-floating-line-height:             1.25 !default;\n$form-floating-padding-x:               $input-padding-x !default;\n$form-floating-padding-y:               1rem !default;\n$form-floating-input-padding-t:         1.625rem !default;\n$form-floating-input-padding-b:         .625rem !default;\n$form-floating-label-height:            1.5em !default;\n$form-floating-label-opacity:           .65 !default;\n$form-floating-label-transform:         scale(.85) translateY(-.5rem) translateX(.15rem) !default;\n$form-floating-label-disabled-color:    $gray-600 !default;\n$form-floating-transition:              opacity .1s ease-in-out, transform .1s ease-in-out !default;\n// scss-docs-end form-floating-variables\n\n// Form validation\n\n// scss-docs-start form-feedback-variables\n$form-feedback-margin-top:          $form-text-margin-top !default;\n$form-feedback-font-size:           $form-text-font-size !default;\n$form-feedback-font-style:          $form-text-font-style !default;\n$form-feedback-valid-color:         $success !default;\n$form-feedback-invalid-color:       $danger !default;\n\n$form-feedback-icon-valid-color:    $form-feedback-valid-color !default;\n$form-feedback-icon-valid:          url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 8 8'><path fill='#{$form-feedback-icon-valid-color}' d='M2.3 6.73.6 4.53c-.4-1.04.46-1.4 1.1-.8l1.1 1.4 3.4-3.8c.6-.63 1.6-.27 1.2.7l-4 4.6c-.43.5-.8.4-1.1.1z'/></svg>\") !default;\n$form-feedback-icon-invalid-color:  $form-feedback-invalid-color !default;\n$form-feedback-icon-invalid:        url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 12 12' width='12' height='12' fill='none' stroke='#{$form-feedback-icon-invalid-color}'><circle cx='6' cy='6' r='4.5'/><path stroke-linejoin='round' d='M5.8 3.6h.4L6 6.5z'/><circle cx='6' cy='8.2' r='.6' fill='#{$form-feedback-icon-invalid-color}' stroke='none'/></svg>\") !default;\n// scss-docs-end form-feedback-variables\n\n// scss-docs-start form-validation-colors\n$form-valid-color:                  $form-feedback-valid-color !default;\n$form-valid-border-color:           $form-feedback-valid-color !default;\n$form-invalid-color:                $form-feedback-invalid-color !default;\n$form-invalid-border-color:         $form-feedback-invalid-color !default;\n// scss-docs-end form-validation-colors\n\n// scss-docs-start form-validation-states\n$form-validation-states: (\n  \"valid\": (\n    \"color\": var(--#{$prefix}form-valid-color),\n    \"icon\": $form-feedback-icon-valid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}success),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}success-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-valid-border-color),\n  ),\n  \"invalid\": (\n    \"color\": var(--#{$prefix}form-invalid-color),\n    \"icon\": $form-feedback-icon-invalid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}danger),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}danger-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-invalid-border-color),\n  )\n) !default;\n// scss-docs-end form-validation-states\n\n// Z-index master list\n//\n// Warning: Avoid customizing these values. They're used for a bird's eye view\n// of components dependent on the z-axis and are designed to all work together.\n\n// scss-docs-start zindex-stack\n$zindex-dropdown:                   1000 !default;\n$zindex-sticky:                     1020 !default;\n$zindex-fixed:                      1030 !default;\n$zindex-offcanvas-backdrop:         1040 !default;\n$zindex-offcanvas:                  1045 !default;\n$zindex-modal-backdrop:             1050 !default;\n$zindex-modal:                      1055 !default;\n$zindex-popover:                    1070 !default;\n$zindex-tooltip:                    1080 !default;\n$zindex-toast:                      1090 !default;\n// scss-docs-end zindex-stack\n\n// scss-docs-start zindex-levels-map\n$zindex-levels: (\n  n1: -1,\n  0: 0,\n  1: 1,\n  2: 2,\n  3: 3\n) !default;\n// scss-docs-end zindex-levels-map\n\n\n// Navs\n\n// scss-docs-start nav-variables\n$nav-link-padding-y:                .5rem !default;\n$nav-link-padding-x:                1rem !default;\n$nav-link-font-size:                null !default;\n$nav-link-font-weight:              null !default;\n$nav-link-color:                    var(--#{$prefix}link-color) !default;\n$nav-link-hover-color:              var(--#{$prefix}link-hover-color) !default;\n$nav-link-transition:               color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out !default;\n$nav-link-disabled-color:           var(--#{$prefix}secondary-color) !default;\n$nav-link-focus-box-shadow:         $focus-ring-box-shadow !default;\n\n$nav-tabs-border-color:             var(--#{$prefix}border-color) !default;\n$nav-tabs-border-width:             var(--#{$prefix}border-width) !default;\n$nav-tabs-border-radius:            var(--#{$prefix}border-radius) !default;\n$nav-tabs-link-hover-border-color:  var(--#{$prefix}secondary-bg) var(--#{$prefix}secondary-bg) $nav-tabs-border-color !default;\n$nav-tabs-link-active-color:        var(--#{$prefix}emphasis-color) !default;\n$nav-tabs-link-active-bg:           var(--#{$prefix}body-bg) !default;\n$nav-tabs-link-active-border-color: var(--#{$prefix}border-color) var(--#{$prefix}border-color) $nav-tabs-link-active-bg !default;\n\n$nav-pills-border-radius:           var(--#{$prefix}border-radius) !default;\n$nav-pills-link-active-color:       $component-active-color !default;\n$nav-pills-link-active-bg:          $component-active-bg !default;\n\n$nav-underline-gap:                 1rem !default;\n$nav-underline-border-width:        .125rem !default;\n$nav-underline-link-active-color:   var(--#{$prefix}emphasis-color) !default;\n// scss-docs-end nav-variables\n\n\n// Navbar\n\n// scss-docs-start navbar-variables\n$navbar-padding-y:                  $spacer * .5 !default;\n$navbar-padding-x:                  null !default;\n\n$navbar-nav-link-padding-x:         .5rem !default;\n\n$navbar-brand-font-size:            $font-size-lg !default;\n// Compute the navbar-brand padding-y so the navbar-brand will have the same height as navbar-text and nav-link\n$nav-link-height:                   $font-size-base * $line-height-base + $nav-link-padding-y * 2 !default;\n$navbar-brand-height:               $navbar-brand-font-size * $line-height-base !default;\n$navbar-brand-padding-y:            ($nav-link-height - $navbar-brand-height) * .5 !default;\n$navbar-brand-margin-end:           1rem !default;\n\n$navbar-toggler-padding-y:          .25rem !default;\n$navbar-toggler-padding-x:          .75rem !default;\n$navbar-toggler-font-size:          $font-size-lg !default;\n$navbar-toggler-border-radius:      $btn-border-radius !default;\n$navbar-toggler-focus-width:        $btn-focus-width !default;\n$navbar-toggler-transition:         box-shadow .15s ease-in-out !default;\n\n$navbar-light-color:                rgba(var(--#{$prefix}emphasis-color-rgb), .65) !default;\n$navbar-light-hover-color:          rgba(var(--#{$prefix}emphasis-color-rgb), .8) !default;\n$navbar-light-active-color:         rgba(var(--#{$prefix}emphasis-color-rgb), 1) !default;\n$navbar-light-disabled-color:       rgba(var(--#{$prefix}emphasis-color-rgb), .3) !default;\n$navbar-light-icon-color:           rgba($body-color, .75) !default;\n$navbar-light-toggler-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-light-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-light-toggler-border-color: rgba(var(--#{$prefix}emphasis-color-rgb), .15) !default;\n$navbar-light-brand-color:          $navbar-light-active-color !default;\n$navbar-light-brand-hover-color:    $navbar-light-active-color !default;\n// scss-docs-end navbar-variables\n\n// scss-docs-start navbar-dark-variables\n$navbar-dark-color:                 rgba($white, .55) !default;\n$navbar-dark-hover-color:           rgba($white, .75) !default;\n$navbar-dark-active-color:          $white !default;\n$navbar-dark-disabled-color:        rgba($white, .25) !default;\n$navbar-dark-icon-color:            $navbar-dark-color !default;\n$navbar-dark-toggler-icon-bg:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-dark-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-dark-toggler-border-color:  rgba($white, .1) !default;\n$navbar-dark-brand-color:           $navbar-dark-active-color !default;\n$navbar-dark-brand-hover-color:     $navbar-dark-active-color !default;\n// scss-docs-end navbar-dark-variables\n\n\n// Dropdowns\n//\n// Dropdown menu container and contents.\n\n// scss-docs-start dropdown-variables\n$dropdown-min-width:                10rem !default;\n$dropdown-padding-x:                0 !default;\n$dropdown-padding-y:                .5rem !default;\n$dropdown-spacer:                   .125rem !default;\n$dropdown-font-size:                $font-size-base !default;\n$dropdown-color:                    var(--#{$prefix}body-color) !default;\n$dropdown-bg:                       var(--#{$prefix}body-bg) !default;\n$dropdown-border-color:             var(--#{$prefix}border-color-translucent) !default;\n$dropdown-border-radius:            var(--#{$prefix}border-radius) !default;\n$dropdown-border-width:             var(--#{$prefix}border-width) !default;\n$dropdown-inner-border-radius:      calc(#{$dropdown-border-radius} - #{$dropdown-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$dropdown-divider-bg:               $dropdown-border-color !default;\n$dropdown-divider-margin-y:         $spacer * .5 !default;\n$dropdown-box-shadow:               var(--#{$prefix}box-shadow) !default;\n\n$dropdown-link-color:               var(--#{$prefix}body-color) !default;\n$dropdown-link-hover-color:         $dropdown-link-color !default;\n$dropdown-link-hover-bg:            var(--#{$prefix}tertiary-bg) !default;\n\n$dropdown-link-active-color:        $component-active-color !default;\n$dropdown-link-active-bg:           $component-active-bg !default;\n\n$dropdown-link-disabled-color:      var(--#{$prefix}tertiary-color) !default;\n\n$dropdown-item-padding-y:           $spacer * .25 !default;\n$dropdown-item-padding-x:           $spacer !default;\n\n$dropdown-header-color:             $gray-600 !default;\n$dropdown-header-padding-x:         $dropdown-item-padding-x !default;\n$dropdown-header-padding-y:         $dropdown-padding-y !default;\n// fusv-disable\n$dropdown-header-padding:           $dropdown-header-padding-y $dropdown-header-padding-x !default; // Deprecated in v5.2.0\n// fusv-enable\n// scss-docs-end dropdown-variables\n\n// scss-docs-start dropdown-dark-variables\n$dropdown-dark-color:               $gray-300 !default;\n$dropdown-dark-bg:                  $gray-800 !default;\n$dropdown-dark-border-color:        $dropdown-border-color !default;\n$dropdown-dark-divider-bg:          $dropdown-divider-bg !default;\n$dropdown-dark-box-shadow:          null !default;\n$dropdown-dark-link-color:          $dropdown-dark-color !default;\n$dropdown-dark-link-hover-color:    $white !default;\n$dropdown-dark-link-hover-bg:       rgba($white, .15) !default;\n$dropdown-dark-link-active-color:   $dropdown-link-active-color !default;\n$dropdown-dark-link-active-bg:      $dropdown-link-active-bg !default;\n$dropdown-dark-link-disabled-color: $gray-500 !default;\n$dropdown-dark-header-color:        $gray-500 !default;\n// scss-docs-end dropdown-dark-variables\n\n\n// Pagination\n\n// scss-docs-start pagination-variables\n$pagination-padding-y:              .375rem !default;\n$pagination-padding-x:              .75rem !default;\n$pagination-padding-y-sm:           .25rem !default;\n$pagination-padding-x-sm:           .5rem !default;\n$pagination-padding-y-lg:           .75rem !default;\n$pagination-padding-x-lg:           1.5rem !default;\n\n$pagination-font-size:              $font-size-base !default;\n\n$pagination-color:                  var(--#{$prefix}link-color) !default;\n$pagination-bg:                     var(--#{$prefix}body-bg) !default;\n$pagination-border-radius:          var(--#{$prefix}border-radius) !default;\n$pagination-border-width:           var(--#{$prefix}border-width) !default;\n$pagination-margin-start:           calc(#{$pagination-border-width} * -1) !default; // stylelint-disable-line function-disallowed-list\n$pagination-border-color:           var(--#{$prefix}border-color) !default;\n\n$pagination-focus-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-focus-bg:               var(--#{$prefix}secondary-bg) !default;\n$pagination-focus-box-shadow:       $focus-ring-box-shadow !default;\n$pagination-focus-outline:          0 !default;\n\n$pagination-hover-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$pagination-hover-border-color:     var(--#{$prefix}border-color) !default; // Todo in v6: remove this?\n\n$pagination-active-color:           $component-active-color !default;\n$pagination-active-bg:              $component-active-bg !default;\n$pagination-active-border-color:    $component-active-bg !default;\n\n$pagination-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$pagination-disabled-bg:            var(--#{$prefix}secondary-bg) !default;\n$pagination-disabled-border-color:  var(--#{$prefix}border-color) !default;\n\n$pagination-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$pagination-border-radius-sm:       var(--#{$prefix}border-radius-sm) !default;\n$pagination-border-radius-lg:       var(--#{$prefix}border-radius-lg) !default;\n// scss-docs-end pagination-variables\n\n\n// Placeholders\n\n// scss-docs-start placeholders\n$placeholder-opacity-max:           .5 !default;\n$placeholder-opacity-min:           .2 !default;\n// scss-docs-end placeholders\n\n// Cards\n\n// scss-docs-start card-variables\n$card-spacer-y:                     $spacer !default;\n$card-spacer-x:                     $spacer !default;\n$card-title-spacer-y:               $spacer * .5 !default;\n$card-title-color:                  null !default;\n$card-subtitle-color:               null !default;\n$card-border-width:                 var(--#{$prefix}border-width) !default;\n$card-border-color:                 var(--#{$prefix}border-color-translucent) !default;\n$card-border-radius:                var(--#{$prefix}border-radius) !default;\n$card-box-shadow:                   null !default;\n$card-inner-border-radius:          subtract($card-border-radius, $card-border-width) !default;\n$card-cap-padding-y:                $card-spacer-y * .5 !default;\n$card-cap-padding-x:                $card-spacer-x !default;\n$card-cap-bg:                       rgba(var(--#{$prefix}body-color-rgb), .03) !default;\n$card-cap-color:                    null !default;\n$card-height:                       null !default;\n$card-color:                        null !default;\n$card-bg:                           var(--#{$prefix}body-bg) !default;\n$card-img-overlay-padding:          $spacer !default;\n$card-group-margin:                 $grid-gutter-width * .5 !default;\n// scss-docs-end card-variables\n\n// Accordion\n\n// scss-docs-start accordion-variables\n$accordion-padding-y:                     1rem !default;\n$accordion-padding-x:                     1.25rem !default;\n$accordion-color:                         var(--#{$prefix}body-color) !default;\n$accordion-bg:                            var(--#{$prefix}body-bg) !default;\n$accordion-border-width:                  var(--#{$prefix}border-width) !default;\n$accordion-border-color:                  var(--#{$prefix}border-color) !default;\n$accordion-border-radius:                 var(--#{$prefix}border-radius) !default;\n$accordion-inner-border-radius:           subtract($accordion-border-radius, $accordion-border-width) !default;\n\n$accordion-body-padding-y:                $accordion-padding-y !default;\n$accordion-body-padding-x:                $accordion-padding-x !default;\n\n$accordion-button-padding-y:              $accordion-padding-y !default;\n$accordion-button-padding-x:              $accordion-padding-x !default;\n$accordion-button-color:                  var(--#{$prefix}body-color) !default;\n$accordion-button-bg:                     var(--#{$prefix}accordion-bg) !default;\n$accordion-transition:                    $btn-transition, border-radius .15s ease !default;\n$accordion-button-active-bg:              var(--#{$prefix}primary-bg-subtle) !default;\n$accordion-button-active-color:           var(--#{$prefix}primary-text-emphasis) !default;\n\n$accordion-button-focus-border-color:     $input-focus-border-color !default;\n$accordion-button-focus-box-shadow:       $btn-focus-box-shadow !default;\n\n$accordion-icon-width:                    1.25rem !default;\n$accordion-icon-color:                    $body-color !default;\n$accordion-icon-active-color:             $primary-text-emphasis !default;\n$accordion-icon-transition:               transform .2s ease-in-out !default;\n$accordion-icon-transform:                rotate(-180deg) !default;\n\n$accordion-button-icon:         url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$accordion-icon-color}'><path fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n$accordion-button-active-icon:  url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$accordion-icon-active-color}'><path fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n// scss-docs-end accordion-variables\n\n// Tooltips\n\n// scss-docs-start tooltip-variables\n$tooltip-font-size:                 $font-size-sm !default;\n$tooltip-max-width:                 200px !default;\n$tooltip-color:                     var(--#{$prefix}body-bg) !default;\n$tooltip-bg:                        var(--#{$prefix}emphasis-color) !default;\n$tooltip-border-radius:             var(--#{$prefix}border-radius) !default;\n$tooltip-opacity:                   .9 !default;\n$tooltip-padding-y:                 $spacer * .25 !default;\n$tooltip-padding-x:                 $spacer * .5 !default;\n$tooltip-margin:                    null !default; // TODO: remove this in v6\n\n$tooltip-arrow-width:               .8rem !default;\n$tooltip-arrow-height:              .4rem !default;\n// fusv-disable\n$tooltip-arrow-color:               null !default; // Deprecated in Bootstrap 5.2.0 for CSS variables\n// fusv-enable\n// scss-docs-end tooltip-variables\n\n// Form tooltips must come after regular tooltips\n// scss-docs-start tooltip-feedback-variables\n$form-feedback-tooltip-padding-y:     $tooltip-padding-y !default;\n$form-feedback-tooltip-padding-x:     $tooltip-padding-x !default;\n$form-feedback-tooltip-font-size:     $tooltip-font-size !default;\n$form-feedback-tooltip-line-height:   null !default;\n$form-feedback-tooltip-opacity:       $tooltip-opacity !default;\n$form-feedback-tooltip-border-radius: $tooltip-border-radius !default;\n// scss-docs-end tooltip-feedback-variables\n\n\n// Popovers\n\n// scss-docs-start popover-variables\n$popover-font-size:                 $font-size-sm !default;\n$popover-bg:                        var(--#{$prefix}body-bg) !default;\n$popover-max-width:                 276px !default;\n$popover-border-width:              var(--#{$prefix}border-width) !default;\n$popover-border-color:              var(--#{$prefix}border-color-translucent) !default;\n$popover-border-radius:             var(--#{$prefix}border-radius-lg) !default;\n$popover-inner-border-radius:       calc(#{$popover-border-radius} - #{$popover-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$popover-box-shadow:                var(--#{$prefix}box-shadow) !default;\n\n$popover-header-font-size:          $font-size-base !default;\n$popover-header-bg:                 var(--#{$prefix}secondary-bg) !default;\n$popover-header-color:              $headings-color !default;\n$popover-header-padding-y:          .5rem !default;\n$popover-header-padding-x:          $spacer !default;\n\n$popover-body-color:                var(--#{$prefix}body-color) !default;\n$popover-body-padding-y:            $spacer !default;\n$popover-body-padding-x:            $spacer !default;\n\n$popover-arrow-width:               1rem !default;\n$popover-arrow-height:              .5rem !default;\n// scss-docs-end popover-variables\n\n// fusv-disable\n// Deprecated in Bootstrap 5.2.0 for CSS variables\n$popover-arrow-color:               $popover-bg !default;\n$popover-arrow-outer-color:         var(--#{$prefix}border-color-translucent) !default;\n// fusv-enable\n\n\n// Toasts\n\n// scss-docs-start toast-variables\n$toast-max-width:                   350px !default;\n$toast-padding-x:                   .75rem !default;\n$toast-padding-y:                   .5rem !default;\n$toast-font-size:                   .875rem !default;\n$toast-color:                       null !default;\n$toast-background-color:            rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-border-width:                var(--#{$prefix}border-width) !default;\n$toast-border-color:                var(--#{$prefix}border-color-translucent) !default;\n$toast-border-radius:               var(--#{$prefix}border-radius) !default;\n$toast-box-shadow:                  var(--#{$prefix}box-shadow) !default;\n$toast-spacing:                     $container-padding-x !default;\n\n$toast-header-color:                var(--#{$prefix}secondary-color) !default;\n$toast-header-background-color:     rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-header-border-color:         $toast-border-color !default;\n// scss-docs-end toast-variables\n\n\n// Badges\n\n// scss-docs-start badge-variables\n$badge-font-size:                   .75em !default;\n$badge-font-weight:                 $font-weight-bold !default;\n$badge-color:                       $white !default;\n$badge-padding-y:                   .35em !default;\n$badge-padding-x:                   .65em !default;\n$badge-border-radius:               var(--#{$prefix}border-radius) !default;\n// scss-docs-end badge-variables\n\n\n// Modals\n\n// scss-docs-start modal-variables\n$modal-inner-padding:               $spacer !default;\n\n$modal-footer-margin-between:       .5rem !default;\n\n$modal-dialog-margin:               .5rem !default;\n$modal-dialog-margin-y-sm-up:       1.75rem !default;\n\n$modal-title-line-height:           $line-height-base !default;\n\n$modal-content-color:               null !default;\n$modal-content-bg:                  var(--#{$prefix}body-bg) !default;\n$modal-content-border-color:        var(--#{$prefix}border-color-translucent) !default;\n$modal-content-border-width:        var(--#{$prefix}border-width) !default;\n$modal-content-border-radius:       var(--#{$prefix}border-radius-lg) !default;\n$modal-content-inner-border-radius: subtract($modal-content-border-radius, $modal-content-border-width) !default;\n$modal-content-box-shadow-xs:       var(--#{$prefix}box-shadow-sm) !default;\n$modal-content-box-shadow-sm-up:    var(--#{$prefix}box-shadow) !default;\n\n$modal-backdrop-bg:                 $black !default;\n$modal-backdrop-opacity:            .5 !default;\n\n$modal-header-border-color:         var(--#{$prefix}border-color) !default;\n$modal-header-border-width:         $modal-content-border-width !default;\n$modal-header-padding-y:            $modal-inner-padding !default;\n$modal-header-padding-x:            $modal-inner-padding !default;\n$modal-header-padding:              $modal-header-padding-y $modal-header-padding-x !default; // Keep this for backwards compatibility\n\n$modal-footer-bg:                   null !default;\n$modal-footer-border-color:         $modal-header-border-color !default;\n$modal-footer-border-width:         $modal-header-border-width !default;\n\n$modal-sm:                          300px !default;\n$modal-md:                          500px !default;\n$modal-lg:                          800px !default;\n$modal-xl:                          1140px !default;\n\n$modal-fade-transform:              translate(0, -50px) !default;\n$modal-show-transform:              none !default;\n$modal-transition:                  transform .3s ease-out !default;\n$modal-scale-transform:             scale(1.02) !default;\n// scss-docs-end modal-variables\n\n\n// Alerts\n//\n// Define alert colors, border radius, and padding.\n\n// scss-docs-start alert-variables\n$alert-padding-y:               $spacer !default;\n$alert-padding-x:               $spacer !default;\n$alert-margin-bottom:           1rem !default;\n$alert-border-radius:           var(--#{$prefix}border-radius) !default;\n$alert-link-font-weight:        $font-weight-bold !default;\n$alert-border-width:            var(--#{$prefix}border-width) !default;\n$alert-dismissible-padding-r:   $alert-padding-x * 3 !default; // 3x covers width of x plus default padding on either side\n// scss-docs-end alert-variables\n\n// fusv-disable\n$alert-bg-scale:                -80% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-border-scale:            -70% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-color-scale:             40% !default; // Deprecated in v5.2.0, to be removed in v6\n// fusv-enable\n\n// Progress bars\n\n// scss-docs-start progress-variables\n$progress-height:                   1rem !default;\n$progress-font-size:                $font-size-base * .75 !default;\n$progress-bg:                       var(--#{$prefix}secondary-bg) !default;\n$progress-border-radius:            var(--#{$prefix}border-radius) !default;\n$progress-box-shadow:               var(--#{$prefix}box-shadow-inset) !default;\n$progress-bar-color:                $white !default;\n$progress-bar-bg:                   $primary !default;\n$progress-bar-animation-timing:     1s linear infinite !default;\n$progress-bar-transition:           width .6s ease !default;\n// scss-docs-end progress-variables\n\n\n// List group\n\n// scss-docs-start list-group-variables\n$list-group-color:                  var(--#{$prefix}body-color) !default;\n$list-group-bg:                     var(--#{$prefix}body-bg) !default;\n$list-group-border-color:           var(--#{$prefix}border-color) !default;\n$list-group-border-width:           var(--#{$prefix}border-width) !default;\n$list-group-border-radius:          var(--#{$prefix}border-radius) !default;\n\n$list-group-item-padding-y:         $spacer * .5 !default;\n$list-group-item-padding-x:         $spacer !default;\n// fusv-disable\n$list-group-item-bg-scale:          -80% !default; // Deprecated in v5.3.0\n$list-group-item-color-scale:       40% !default; // Deprecated in v5.3.0\n// fusv-enable\n\n$list-group-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$list-group-active-color:           $component-active-color !default;\n$list-group-active-bg:              $component-active-bg !default;\n$list-group-active-border-color:    $list-group-active-bg !default;\n\n$list-group-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$list-group-disabled-bg:            $list-group-bg !default;\n\n$list-group-action-color:           var(--#{$prefix}secondary-color) !default;\n$list-group-action-hover-color:     var(--#{$prefix}emphasis-color) !default;\n\n$list-group-action-active-color:    var(--#{$prefix}body-color) !default;\n$list-group-action-active-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end list-group-variables\n\n\n// Image thumbnails\n\n// scss-docs-start thumbnail-variables\n$thumbnail-padding:                 .25rem !default;\n$thumbnail-bg:                      var(--#{$prefix}body-bg) !default;\n$thumbnail-border-width:            var(--#{$prefix}border-width) !default;\n$thumbnail-border-color:            var(--#{$prefix}border-color) !default;\n$thumbnail-border-radius:           var(--#{$prefix}border-radius) !default;\n$thumbnail-box-shadow:              var(--#{$prefix}box-shadow-sm) !default;\n// scss-docs-end thumbnail-variables\n\n\n// Figures\n\n// scss-docs-start figure-variables\n$figure-caption-font-size:          $small-font-size !default;\n$figure-caption-color:              var(--#{$prefix}secondary-color) !default;\n// scss-docs-end figure-variables\n\n\n// Breadcrumbs\n\n// scss-docs-start breadcrumb-variables\n$breadcrumb-font-size:              null !default;\n$breadcrumb-padding-y:              0 !default;\n$breadcrumb-padding-x:              0 !default;\n$breadcrumb-item-padding-x:         .5rem !default;\n$breadcrumb-margin-bottom:          1rem !default;\n$breadcrumb-bg:                     null !default;\n$breadcrumb-divider-color:          var(--#{$prefix}secondary-color) !default;\n$breadcrumb-active-color:           var(--#{$prefix}secondary-color) !default;\n$breadcrumb-divider:                quote(\"/\") !default;\n$breadcrumb-divider-flipped:        $breadcrumb-divider !default;\n$breadcrumb-border-radius:          null !default;\n// scss-docs-end breadcrumb-variables\n\n// Carousel\n\n// scss-docs-start carousel-variables\n$carousel-control-color:             $white !default;\n$carousel-control-width:             15% !default;\n$carousel-control-opacity:           .5 !default;\n$carousel-control-hover-opacity:     .9 !default;\n$carousel-control-transition:        opacity .15s ease !default;\n\n$carousel-indicator-width:           30px !default;\n$carousel-indicator-height:          3px !default;\n$carousel-indicator-hit-area-height: 10px !default;\n$carousel-indicator-spacer:          3px !default;\n$carousel-indicator-opacity:         .5 !default;\n$carousel-indicator-active-bg:       $white !default;\n$carousel-indicator-active-opacity:  1 !default;\n$carousel-indicator-transition:      opacity .6s ease !default;\n\n$carousel-caption-width:             70% !default;\n$carousel-caption-color:             $white !default;\n$carousel-caption-padding-y:         1.25rem !default;\n$carousel-caption-spacer:            1.25rem !default;\n\n$carousel-control-icon-width:        2rem !default;\n\n$carousel-control-prev-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M11.354 1.646a.5.5 0 0 1 0 .708L5.707 8l5.647 5.646a.5.5 0 0 1-.708.708l-6-6a.5.5 0 0 1 0-.708l6-6a.5.5 0 0 1 .708 0z'/></svg>\") !default;\n$carousel-control-next-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M4.646 1.646a.5.5 0 0 1 .708 0l6 6a.5.5 0 0 1 0 .708l-6 6a.5.5 0 0 1-.708-.708L10.293 8 4.646 2.354a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n\n$carousel-transition-duration:       .6s !default;\n$carousel-transition:                transform $carousel-transition-duration ease-in-out !default; // Define transform transition first if using multiple transitions (e.g., `transform 2s ease, opacity .5s ease-out`)\n// scss-docs-end carousel-variables\n\n// scss-docs-start carousel-dark-variables\n$carousel-dark-indicator-active-bg:  $black !default;\n$carousel-dark-caption-color:        $black !default;\n$carousel-dark-control-icon-filter:  invert(1) grayscale(100) !default;\n// scss-docs-end carousel-dark-variables\n\n\n// Spinners\n\n// scss-docs-start spinner-variables\n$spinner-width:           2rem !default;\n$spinner-height:          $spinner-width !default;\n$spinner-vertical-align:  -.125em !default;\n$spinner-border-width:    .25em !default;\n$spinner-animation-speed: .75s !default;\n\n$spinner-width-sm:        1rem !default;\n$spinner-height-sm:       $spinner-width-sm !default;\n$spinner-border-width-sm: .2em !default;\n// scss-docs-end spinner-variables\n\n\n// Close\n\n// scss-docs-start close-variables\n$btn-close-width:            1em !default;\n$btn-close-height:           $btn-close-width !default;\n$btn-close-padding-x:        .25em !default;\n$btn-close-padding-y:        $btn-close-padding-x !default;\n$btn-close-color:            $black !default;\n$btn-close-bg:               url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$btn-close-color}'><path d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/></svg>\") !default;\n$btn-close-focus-shadow:     $focus-ring-box-shadow !default;\n$btn-close-opacity:          .5 !default;\n$btn-close-hover-opacity:    .75 !default;\n$btn-close-focus-opacity:    1 !default;\n$btn-close-disabled-opacity: .25 !default;\n$btn-close-white-filter:     invert(1) grayscale(100%) brightness(200%) !default;\n// scss-docs-end close-variables\n\n\n// Offcanvas\n\n// scss-docs-start offcanvas-variables\n$offcanvas-padding-y:               $modal-inner-padding !default;\n$offcanvas-padding-x:               $modal-inner-padding !default;\n$offcanvas-horizontal-width:        400px !default;\n$offcanvas-vertical-height:         30vh !default;\n$offcanvas-transition-duration:     .3s !default;\n$offcanvas-border-color:            $modal-content-border-color !default;\n$offcanvas-border-width:            $modal-content-border-width !default;\n$offcanvas-title-line-height:       $modal-title-line-height !default;\n$offcanvas-bg-color:                var(--#{$prefix}body-bg) !default;\n$offcanvas-color:                   var(--#{$prefix}body-color) !default;\n$offcanvas-box-shadow:              $modal-content-box-shadow-xs !default;\n$offcanvas-backdrop-bg:             $modal-backdrop-bg !default;\n$offcanvas-backdrop-opacity:        $modal-backdrop-opacity !default;\n// scss-docs-end offcanvas-variables\n\n// Code\n\n$code-font-size:                    $small-font-size !default;\n$code-color:                        $pink !default;\n\n$kbd-padding-y:                     .1875rem !default;\n$kbd-padding-x:                     .375rem !default;\n$kbd-font-size:                     $code-font-size !default;\n$kbd-color:                         var(--#{$prefix}body-bg) !default;\n$kbd-bg:                            var(--#{$prefix}body-color) !default;\n$nested-kbd-font-weight:            null !default; // Deprecated in v5.2.0, removing in v6\n\n$pre-color:                         null !default;\n","// stylelint-disable property-disallowed-list\n// Single side border-radius\n\n// Helper function to replace negative values with 0\n@function valid-radius($radius) {\n  $return: ();\n  @each $value in $radius {\n    @if type-of($value) == number {\n      $return: append($return, max($value, 0));\n    } @else {\n      $return: append($return, $value);\n    }\n  }\n  @return $return;\n}\n\n// scss-docs-start border-radius-mixins\n@mixin border-radius($radius: $border-radius, $fallback-border-radius: false) {\n  @if $enable-rounded {\n    border-radius: valid-radius($radius);\n  }\n  @else if $fallback-border-radius != false {\n    border-radius: $fallback-border-radius;\n  }\n}\n\n@mixin border-top-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n    border-top-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-right-radius: valid-radius($radius);\n    border-bottom-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-right-radius: valid-radius($radius);\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-top-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-top-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n// scss-docs-end border-radius-mixins\n","//\n// Headings\n//\n.h1 {\n  @extend h1;\n}\n\n.h2 {\n  @extend h2;\n}\n\n.h3 {\n  @extend h3;\n}\n\n.h4 {\n  @extend h4;\n}\n\n.h5 {\n  @extend h5;\n}\n\n.h6 {\n  @extend h6;\n}\n\n\n.lead {\n  @include font-size($lead-font-size);\n  font-weight: $lead-font-weight;\n}\n\n// Type display classes\n@each $display, $font-size in $display-font-sizes {\n  .display-#{$display} {\n    @include font-size($font-size);\n    font-family: $display-font-family;\n    font-style: $display-font-style;\n    font-weight: $display-font-weight;\n    line-height: $display-line-height;\n  }\n}\n\n//\n// Emphasis\n//\n.small {\n  @extend small;\n}\n\n.mark {\n  @extend mark;\n}\n\n//\n// Lists\n//\n\n.list-unstyled {\n  @include list-unstyled();\n}\n\n// Inline turns list items into inline-block\n.list-inline {\n  @include list-unstyled();\n}\n.list-inline-item {\n  display: inline-block;\n\n  &:not(:last-child) {\n    margin-right: $list-inline-padding;\n  }\n}\n\n\n//\n// Misc\n//\n\n// Builds on `abbr`\n.initialism {\n  @include font-size($initialism-font-size);\n  text-transform: uppercase;\n}\n\n// Blockquotes\n.blockquote {\n  margin-bottom: $blockquote-margin-y;\n  @include font-size($blockquote-font-size);\n\n  > :last-child {\n    margin-bottom: 0;\n  }\n}\n\n.blockquote-footer {\n  margin-top: -$blockquote-margin-y;\n  margin-bottom: $blockquote-margin-y;\n  @include font-size($blockquote-footer-font-size);\n  color: $blockquote-footer-color;\n\n  &::before {\n    content: \"\\2014\\00A0\"; // em dash, nbsp\n  }\n}\n","// Lists\n\n// Unstyled keeps list items block level, just removes default browser padding and list-style\n@mixin list-unstyled {\n  padding-left: 0;\n  list-style: none;\n}\n","// Override bootstrap variables\n$spacer: 1rem;\n\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1400px,\n);\n\n$grid-breakpoints: (\n  xs: 0,\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1200px,\n);\n\n$dropdown-link-hover-bg: var(--pst-color-surface);\n// --pst-color-surface can also be assigned to the dark variant because it is\n// scoped to different values depending on light/dark theme\n$dropdown-dark-link-hover-bg: var(--pst-color-surface);\n$dropdown-link-active-bg: var(--pst-color-surface);\n$dropdown-dark-link-active-bg: var(--pst-color-surface);\n","// Responsive images (ensure images don't scale beyond their parents)\n//\n// This is purposefully opt-in via an explicit class rather than being the default for all `<img>`s.\n// We previously tried the \"images are responsive by default\" approach in Bootstrap v2,\n// and abandoned it in Bootstrap v3 because it breaks lots of third-party widgets (including Google Maps)\n// which weren't expecting the images within themselves to be involuntarily resized.\n// See also https://github.com/twbs/bootstrap/issues/18178\n.img-fluid {\n  @include img-fluid();\n}\n\n\n// Image thumbnails\n.img-thumbnail {\n  padding: $thumbnail-padding;\n  background-color: $thumbnail-bg;\n  border: $thumbnail-border-width solid $thumbnail-border-color;\n  @include border-radius($thumbnail-border-radius);\n  @include box-shadow($thumbnail-box-shadow);\n\n  // Keep them at most 100% wide\n  @include img-fluid();\n}\n\n//\n// Figures\n//\n\n.figure {\n  // Ensures the caption's text aligns with the image.\n  display: inline-block;\n}\n\n.figure-img {\n  margin-bottom: $spacer * .5;\n  line-height: 1;\n}\n\n.figure-caption {\n  @include font-size($figure-caption-font-size);\n  color: $figure-caption-color;\n}\n","// Image Mixins\n// - Responsive image\n// - Retina image\n\n\n// Responsive image\n//\n// Keep images from scaling beyond the width of their parents.\n\n@mixin img-fluid {\n  // Part 1: Set a maximum relative to the parent\n  max-width: 100%;\n  // Part 2: Override the height to auto, otherwise images will be stretched\n  // when setting a width and height attribute on the img element.\n  height: auto;\n}\n","// Container widths\n//\n// Set the container width, and override it for fixed navbars in media queries.\n\n@if $enable-container-classes {\n  // Single container class with breakpoint max-widths\n  .container,\n  // 100% wide container at all breakpoints\n  .container-fluid {\n    @include make-container();\n  }\n\n  // Responsive containers that are 100% wide until a breakpoint\n  @each $breakpoint, $container-max-width in $container-max-widths {\n    .container-#{$breakpoint} {\n      @extend .container-fluid;\n    }\n\n    @include media-breakpoint-up($breakpoint, $grid-breakpoints) {\n      %responsive-container-#{$breakpoint} {\n        max-width: $container-max-width;\n      }\n\n      // Extend each breakpoint which is smaller or equal to the current breakpoint\n      $extend-breakpoint: true;\n\n      @each $name, $width in $grid-breakpoints {\n        @if ($extend-breakpoint) {\n          .container#{breakpoint-infix($name, $grid-breakpoints)} {\n            @extend %responsive-container-#{$breakpoint};\n          }\n\n          // Once the current breakpoint is reached, stop extending\n          @if ($breakpoint == $name) {\n            $extend-breakpoint: false;\n          }\n        }\n      }\n    }\n  }\n}\n","// Container mixins\n\n@mixin make-container($gutter: $container-padding-x) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  width: 100%;\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-right: auto;\n  margin-left: auto;\n}\n","// Breakpoint viewport sizes and media queries.\n//\n// Breakpoints are defined as a map of (name: minimum width), order from small to large:\n//\n//    (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px)\n//\n// The map defined in the `$grid-breakpoints` global variable is used as the `$breakpoints` argument by default.\n\n// Name of the next breakpoint, or null for the last breakpoint.\n//\n//    >> breakpoint-next(sm)\n//    md\n//    >> breakpoint-next(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    md\n//    >> breakpoint-next(sm, $breakpoint-names: (xs sm md lg xl xxl))\n//    md\n@function breakpoint-next($name, $breakpoints: $grid-breakpoints, $breakpoint-names: map-keys($breakpoints)) {\n  $n: index($breakpoint-names, $name);\n  @if not $n {\n    @error \"breakpoint `#{$name}` not found in `#{$breakpoints}`\";\n  }\n  @return if($n < length($breakpoint-names), nth($breakpoint-names, $n + 1), null);\n}\n\n// Minimum breakpoint width. Null for the smallest (first) breakpoint.\n//\n//    >> breakpoint-min(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    576px\n@function breakpoint-min($name, $breakpoints: $grid-breakpoints) {\n  $min: map-get($breakpoints, $name);\n  @return if($min != 0, $min, null);\n}\n\n// Maximum breakpoint width.\n// The maximum value is reduced by 0.02px to work around the limitations of\n// `min-` and `max-` prefixes and viewports with fractional widths.\n// See https://www.w3.org/TR/mediaqueries-4/#mq-min-max\n// Uses 0.02px rather than 0.01px to work around a current rounding bug in Safari.\n// See https://bugs.webkit.org/show_bug.cgi?id=178261\n//\n//    >> breakpoint-max(md, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    767.98px\n@function breakpoint-max($name, $breakpoints: $grid-breakpoints) {\n  $max: map-get($breakpoints, $name);\n  @return if($max and $max > 0, $max - .02, null);\n}\n\n// Returns a blank string if smallest breakpoint, otherwise returns the name with a dash in front.\n// Useful for making responsive utilities.\n//\n//    >> breakpoint-infix(xs, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"\"  (Returns a blank string)\n//    >> breakpoint-infix(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"-sm\"\n@function breakpoint-infix($name, $breakpoints: $grid-breakpoints) {\n  @return if(breakpoint-min($name, $breakpoints) == null, \"\", \"-#{$name}\");\n}\n\n// Media of at least the minimum breakpoint width. No query for the smallest breakpoint.\n// Makes the @content apply to the given breakpoint and wider.\n@mixin media-breakpoint-up($name, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($name, $breakpoints);\n  @if $min {\n    @media (min-width: $min) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media of at most the maximum breakpoint width. No query for the largest breakpoint.\n// Makes the @content apply to the given breakpoint and narrower.\n@mixin media-breakpoint-down($name, $breakpoints: $grid-breakpoints) {\n  $max: breakpoint-max($name, $breakpoints);\n  @if $max {\n    @media (max-width: $max) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media that spans multiple breakpoint widths.\n// Makes the @content apply between the min and max breakpoints\n@mixin media-breakpoint-between($lower, $upper, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($lower, $breakpoints);\n  $max: breakpoint-max($upper, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($lower, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($upper, $breakpoints) {\n      @content;\n    }\n  }\n}\n\n// Media between the breakpoint's minimum and maximum widths.\n// No minimum for the smallest breakpoint, and no maximum for the largest one.\n// Makes the @content apply only to the given breakpoint, not viewports any wider or narrower.\n@mixin media-breakpoint-only($name, $breakpoints: $grid-breakpoints) {\n  $min:  breakpoint-min($name, $breakpoints);\n  $next: breakpoint-next($name, $breakpoints);\n  $max:  breakpoint-max($next, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($name, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($next, $breakpoints) {\n      @content;\n    }\n  }\n}\n","// Row\n//\n// Rows contain your columns.\n\n:root {\n  @each $name, $value in $grid-breakpoints {\n    --#{$prefix}breakpoint-#{$name}: #{$value};\n  }\n}\n\n@if $enable-grid-classes {\n  .row {\n    @include make-row();\n\n    > * {\n      @include make-col-ready();\n    }\n  }\n}\n\n@if $enable-cssgrid {\n  .grid {\n    display: grid;\n    grid-template-rows: repeat(var(--#{$prefix}rows, 1), 1fr);\n    grid-template-columns: repeat(var(--#{$prefix}columns, #{$grid-columns}), 1fr);\n    gap: var(--#{$prefix}gap, #{$grid-gutter-width});\n\n    @include make-cssgrid();\n  }\n}\n\n\n// Columns\n//\n// Common styles for small and large grid columns\n\n@if $enable-grid-classes {\n  @include make-grid-columns();\n}\n","// Grid system\n//\n// Generate semantic grid columns with these mixins.\n\n@mixin make-row($gutter: $grid-gutter-width) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  display: flex;\n  flex-wrap: wrap;\n  // TODO: Revisit calc order after https://github.com/react-bootstrap/react-bootstrap/issues/6039 is fixed\n  margin-top: calc(-1 * var(--#{$prefix}gutter-y)); // stylelint-disable-line function-disallowed-list\n  margin-right: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n}\n\n@mixin make-col-ready() {\n  // Add box sizing if only the grid is loaded\n  box-sizing: if(variable-exists(include-column-box-sizing) and $include-column-box-sizing, border-box, null);\n  // Prevent columns from becoming too narrow when at smaller grid tiers by\n  // always setting `width: 100%;`. This works because we set the width\n  // later on to override this initial width.\n  flex-shrink: 0;\n  width: 100%;\n  max-width: 100%; // Prevent `.col-auto`, `.col` (& responsive variants) from breaking out the grid\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-top: var(--#{$prefix}gutter-y);\n}\n\n@mixin make-col($size: false, $columns: $grid-columns) {\n  @if $size {\n    flex: 0 0 auto;\n    width: percentage(divide($size, $columns));\n\n  } @else {\n    flex: 1 1 0;\n    max-width: 100%;\n  }\n}\n\n@mixin make-col-auto() {\n  flex: 0 0 auto;\n  width: auto;\n}\n\n@mixin make-col-offset($size, $columns: $grid-columns) {\n  $num: divide($size, $columns);\n  margin-left: if($num == 0, 0, percentage($num));\n}\n\n// Row columns\n//\n// Specify on a parent element(e.g., .row) to force immediate children into NN\n// number of columns. Supports wrapping to new lines, but does not do a Masonry\n// style grid.\n@mixin row-cols($count) {\n  > * {\n    flex: 0 0 auto;\n    width: percentage(divide(1, $count));\n  }\n}\n\n// Framework grid generation\n//\n// Used only by Bootstrap to generate the correct number of grid classes given\n// any value of `$grid-columns`.\n\n@mixin make-grid-columns($columns: $grid-columns, $gutter: $grid-gutter-width, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      // Provide basic `.col-{bp}` classes for equal-width flexbox columns\n      .col#{$infix} {\n        flex: 1 0 0%; // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      }\n\n      .row-cols#{$infix}-auto > * {\n        @include make-col-auto();\n      }\n\n      @if $grid-row-columns > 0 {\n        @for $i from 1 through $grid-row-columns {\n          .row-cols#{$infix}-#{$i} {\n            @include row-cols($i);\n          }\n        }\n      }\n\n      .col#{$infix}-auto {\n        @include make-col-auto();\n      }\n\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .col#{$infix}-#{$i} {\n            @include make-col($i, $columns);\n          }\n        }\n\n        // `$columns - 1` because offsetting by the width of an entire row isn't possible\n        @for $i from 0 through ($columns - 1) {\n          @if not ($infix == \"\" and $i == 0) { // Avoid emitting useless .offset-0\n            .offset#{$infix}-#{$i} {\n              @include make-col-offset($i, $columns);\n            }\n          }\n        }\n      }\n\n      // Gutters\n      //\n      // Make use of `.g-*`, `.gx-*` or `.gy-*` utilities to change spacing between the columns.\n      @each $key, $value in $gutters {\n        .g#{$infix}-#{$key},\n        .gx#{$infix}-#{$key} {\n          --#{$prefix}gutter-x: #{$value};\n        }\n\n        .g#{$infix}-#{$key},\n        .gy#{$infix}-#{$key} {\n          --#{$prefix}gutter-y: #{$value};\n        }\n      }\n    }\n  }\n}\n\n@mixin make-cssgrid($columns: $grid-columns, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .g-col#{$infix}-#{$i} {\n            grid-column: auto / span $i;\n          }\n        }\n\n        // Start with `1` because `0` is and invalid value.\n        // Ends with `$columns - 1` because offsetting by the width of an entire row isn't possible.\n        @for $i from 1 through ($columns - 1) {\n          .g-start#{$infix}-#{$i} {\n            grid-column-start: $i;\n          }\n        }\n      }\n    }\n  }\n}\n","//\n// Basic Bootstrap table\n//\n\n.table {\n  // Reset needed for nesting tables\n  --#{$prefix}table-color-type: initial;\n  --#{$prefix}table-bg-type: initial;\n  --#{$prefix}table-color-state: initial;\n  --#{$prefix}table-bg-state: initial;\n  // End of reset\n  --#{$prefix}table-color: #{$table-color};\n  --#{$prefix}table-bg: #{$table-bg};\n  --#{$prefix}table-border-color: #{$table-border-color};\n  --#{$prefix}table-accent-bg: #{$table-accent-bg};\n  --#{$prefix}table-striped-color: #{$table-striped-color};\n  --#{$prefix}table-striped-bg: #{$table-striped-bg};\n  --#{$prefix}table-active-color: #{$table-active-color};\n  --#{$prefix}table-active-bg: #{$table-active-bg};\n  --#{$prefix}table-hover-color: #{$table-hover-color};\n  --#{$prefix}table-hover-bg: #{$table-hover-bg};\n\n  width: 100%;\n  margin-bottom: $spacer;\n  vertical-align: $table-cell-vertical-align;\n  border-color: var(--#{$prefix}table-border-color);\n\n  // Target th & td\n  // We need the child combinator to prevent styles leaking to nested tables which doesn't have a `.table` class.\n  // We use the universal selectors here to simplify the selector (else we would need 6 different selectors).\n  // Another advantage is that this generates less code and makes the selector less specific making it easier to override.\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    padding: $table-cell-padding-y $table-cell-padding-x;\n    // Following the precept of cascades: https://codepen.io/miriamsuzanne/full/vYNgodb\n    color: var(--#{$prefix}table-color-state, var(--#{$prefix}table-color-type, var(--#{$prefix}table-color)));\n    background-color: var(--#{$prefix}table-bg);\n    border-bottom-width: $table-border-width;\n    box-shadow: inset 0 0 0 9999px var(--#{$prefix}table-bg-state, var(--#{$prefix}table-bg-type, var(--#{$prefix}table-accent-bg)));\n  }\n\n  > tbody {\n    vertical-align: inherit;\n  }\n\n  > thead {\n    vertical-align: bottom;\n  }\n}\n\n.table-group-divider {\n  border-top: calc(#{$table-border-width} * 2) solid $table-group-separator-color; // stylelint-disable-line function-disallowed-list\n}\n\n//\n// Change placement of captions with a class\n//\n\n.caption-top {\n  caption-side: top;\n}\n\n\n//\n// Condensed table w/ half padding\n//\n\n.table-sm {\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    padding: $table-cell-padding-y-sm $table-cell-padding-x-sm;\n  }\n}\n\n\n// Border versions\n//\n// Add or remove borders all around the table and between all the columns.\n//\n// When borders are added on all sides of the cells, the corners can render odd when\n// these borders do not have the same color or if they are semi-transparent.\n// Therefor we add top and border bottoms to the `tr`s and left and right borders\n// to the `td`s or `th`s\n\n.table-bordered {\n  > :not(caption) > * {\n    border-width: $table-border-width 0;\n\n    // stylelint-disable-next-line selector-max-universal\n    > * {\n      border-width: 0 $table-border-width;\n    }\n  }\n}\n\n.table-borderless {\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    border-bottom-width: 0;\n  }\n\n  > :not(:first-child) {\n    border-top-width: 0;\n  }\n}\n\n// Zebra-striping\n//\n// Default zebra-stripe styles (alternating gray and transparent backgrounds)\n\n// For rows\n.table-striped {\n  > tbody > tr:nth-of-type(#{$table-striped-order}) > * {\n    --#{$prefix}table-color-type: var(--#{$prefix}table-striped-color);\n    --#{$prefix}table-bg-type: var(--#{$prefix}table-striped-bg);\n  }\n}\n\n// For columns\n.table-striped-columns {\n  > :not(caption) > tr > :nth-child(#{$table-striped-columns-order}) {\n    --#{$prefix}table-color-type: var(--#{$prefix}table-striped-color);\n    --#{$prefix}table-bg-type: var(--#{$prefix}table-striped-bg);\n  }\n}\n\n// Active table\n//\n// The `.table-active` class can be added to highlight rows or cells\n\n.table-active {\n  --#{$prefix}table-color-state: var(--#{$prefix}table-active-color);\n  --#{$prefix}table-bg-state: var(--#{$prefix}table-active-bg);\n}\n\n// Hover effect\n//\n// Placed here since it has to come after the potential zebra striping\n\n.table-hover {\n  > tbody > tr:hover > * {\n    --#{$prefix}table-color-state: var(--#{$prefix}table-hover-color);\n    --#{$prefix}table-bg-state: var(--#{$prefix}table-hover-bg);\n  }\n}\n\n\n// Table variants\n//\n// Table variants set the table cell backgrounds, border colors\n// and the colors of the striped, hovered & active tables\n\n@each $color, $value in $table-variants {\n  @include table-variant($color, $value);\n}\n\n// Responsive tables\n//\n// Generate series of `.table-responsive-*` classes for configuring the screen\n// size of where your table will overflow.\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n  @include media-breakpoint-down($breakpoint) {\n    .table-responsive#{$infix} {\n      overflow-x: auto;\n      -webkit-overflow-scrolling: touch;\n    }\n  }\n}\n","// scss-docs-start table-variant\n@mixin table-variant($state, $background) {\n  .table-#{$state} {\n    $color: color-contrast(opaque($body-bg, $background));\n    $hover-bg: mix($color, $background, percentage($table-hover-bg-factor));\n    $striped-bg: mix($color, $background, percentage($table-striped-bg-factor));\n    $active-bg: mix($color, $background, percentage($table-active-bg-factor));\n    $table-border-color: mix($color, $background, percentage($table-border-factor));\n\n    --#{$prefix}table-color: #{$color};\n    --#{$prefix}table-bg: #{$background};\n    --#{$prefix}table-border-color: #{$table-border-color};\n    --#{$prefix}table-striped-bg: #{$striped-bg};\n    --#{$prefix}table-striped-color: #{color-contrast($striped-bg)};\n    --#{$prefix}table-active-bg: #{$active-bg};\n    --#{$prefix}table-active-color: #{color-contrast($active-bg)};\n    --#{$prefix}table-hover-bg: #{$hover-bg};\n    --#{$prefix}table-hover-color: #{color-contrast($hover-bg)};\n\n    color: var(--#{$prefix}table-color);\n    border-color: var(--#{$prefix}table-border-color);\n  }\n}\n// scss-docs-end table-variant\n","//\n// Labels\n//\n\n.form-label {\n  margin-bottom: $form-label-margin-bottom;\n  @include font-size($form-label-font-size);\n  font-style: $form-label-font-style;\n  font-weight: $form-label-font-weight;\n  color: $form-label-color;\n}\n\n// For use with horizontal and inline forms, when you need the label (or legend)\n// text to align with the form controls.\n.col-form-label {\n  padding-top: add($input-padding-y, $input-border-width);\n  padding-bottom: add($input-padding-y, $input-border-width);\n  margin-bottom: 0; // Override the `<legend>` default\n  @include font-size(inherit); // Override the `<legend>` default\n  font-style: $form-label-font-style;\n  font-weight: $form-label-font-weight;\n  line-height: $input-line-height;\n  color: $form-label-color;\n}\n\n.col-form-label-lg {\n  padding-top: add($input-padding-y-lg, $input-border-width);\n  padding-bottom: add($input-padding-y-lg, $input-border-width);\n  @include font-size($input-font-size-lg);\n}\n\n.col-form-label-sm {\n  padding-top: add($input-padding-y-sm, $input-border-width);\n  padding-bottom: add($input-padding-y-sm, $input-border-width);\n  @include font-size($input-font-size-sm);\n}\n","//\n// Form text\n//\n\n.form-text {\n  margin-top: $form-text-margin-top;\n  @include font-size($form-text-font-size);\n  font-style: $form-text-font-style;\n  font-weight: $form-text-font-weight;\n  color: $form-text-color;\n}\n","//\n// General form controls (plus a few specific high-level interventions)\n//\n\n.form-control {\n  display: block;\n  width: 100%;\n  padding: $input-padding-y $input-padding-x;\n  font-family: $input-font-family;\n  @include font-size($input-font-size);\n  font-weight: $input-font-weight;\n  line-height: $input-line-height;\n  color: $input-color;\n  appearance: none; // Fix appearance for date inputs in Safari\n  background-color: $input-bg;\n  background-clip: padding-box;\n  border: $input-border-width solid $input-border-color;\n\n  // Note: This has no effect on <select>s in some browsers, due to the limited stylability of `<select>`s in CSS.\n  @include border-radius($input-border-radius, 0);\n\n  @include box-shadow($input-box-shadow);\n  @include transition($input-transition);\n\n  &[type=\"file\"] {\n    overflow: hidden; // prevent pseudo element button overlap\n\n    &:not(:disabled):not([readonly]) {\n      cursor: pointer;\n    }\n  }\n\n  // Customize the `:focus` state to imitate native WebKit styles.\n  &:focus {\n    color: $input-focus-color;\n    background-color: $input-focus-bg;\n    border-color: $input-focus-border-color;\n    outline: 0;\n    @if $enable-shadows {\n      @include box-shadow($input-box-shadow, $input-focus-box-shadow);\n    } @else {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      box-shadow: $input-focus-box-shadow;\n    }\n  }\n\n  &::-webkit-date-and-time-value {\n    // On Android Chrome, form-control's \"width: 100%\" makes the input width too small\n    // Tested under Android 11 / Chrome 89, Android 12 / Chrome 100, Android 13 / Chrome 109\n    //\n    // On iOS Safari, form-control's \"appearance: none\" + \"width: 100%\" makes the input width too small\n    // Tested under iOS 16.2 / Safari 16.2\n    min-width: 85px; // Seems to be a good minimum safe width\n\n    // Add some height to date inputs on iOS\n    // https://github.com/twbs/bootstrap/issues/23307\n    // TODO: we can remove this workaround once https://bugs.webkit.org/show_bug.cgi?id=198959 is resolved\n    // Multiply line-height by 1em if it has no unit\n    height: if(unit($input-line-height) == \"\", $input-line-height * 1em, $input-line-height);\n\n    // Android Chrome type=\"date\" is taller than the other inputs\n    // because of \"margin: 1px 24px 1px 4px\" inside the shadow DOM\n    // Tested under Android 11 / Chrome 89, Android 12 / Chrome 100, Android 13 / Chrome 109\n    margin: 0;\n  }\n\n  // Prevent excessive date input height in Webkit\n  // https://github.com/twbs/bootstrap/issues/34433\n  &::-webkit-datetime-edit {\n    display: block;\n    padding: 0;\n  }\n\n  // Placeholder\n  &::placeholder {\n    color: $input-placeholder-color;\n    // Override Firefox's unusual default opacity; see https://github.com/twbs/bootstrap/pull/11526.\n    opacity: 1;\n  }\n\n  // Disabled inputs\n  //\n  // HTML5 says that controls under a fieldset > legend:first-child won't be\n  // disabled if the fieldset is disabled. Due to implementation difficulty, we\n  // don't honor that edge case; we style them as disabled anyway.\n  &:disabled {\n    color: $input-disabled-color;\n    background-color: $input-disabled-bg;\n    border-color: $input-disabled-border-color;\n    // iOS fix for unreadable disabled content; see https://github.com/twbs/bootstrap/issues/11655.\n    opacity: 1;\n  }\n\n  // File input buttons theming\n  &::file-selector-button {\n    padding: $input-padding-y $input-padding-x;\n    margin: (-$input-padding-y) (-$input-padding-x);\n    margin-inline-end: $input-padding-x;\n    color: $form-file-button-color;\n    @include gradient-bg($form-file-button-bg);\n    pointer-events: none;\n    border-color: inherit;\n    border-style: solid;\n    border-width: 0;\n    border-inline-end-width: $input-border-width;\n    border-radius: 0; // stylelint-disable-line property-disallowed-list\n    @include transition($btn-transition);\n  }\n\n  &:hover:not(:disabled):not([readonly])::file-selector-button {\n    background-color: $form-file-button-hover-bg;\n  }\n}\n\n// Readonly controls as plain text\n//\n// Apply class to a readonly input to make it appear like regular plain\n// text (without any border, background color, focus indicator)\n\n.form-control-plaintext {\n  display: block;\n  width: 100%;\n  padding: $input-padding-y 0;\n  margin-bottom: 0; // match inputs if this class comes on inputs with default margins\n  line-height: $input-line-height;\n  color: $input-plaintext-color;\n  background-color: transparent;\n  border: solid transparent;\n  border-width: $input-border-width 0;\n\n  &:focus {\n    outline: 0;\n  }\n\n  &.form-control-sm,\n  &.form-control-lg {\n    padding-right: 0;\n    padding-left: 0;\n  }\n}\n\n// Form control sizing\n//\n// Build on `.form-control` with modifier classes to decrease or increase the\n// height and font-size of form controls.\n//\n// Repeated in `_input_group.scss` to avoid Sass extend issues.\n\n.form-control-sm {\n  min-height: $input-height-sm;\n  padding: $input-padding-y-sm $input-padding-x-sm;\n  @include font-size($input-font-size-sm);\n  @include border-radius($input-border-radius-sm);\n\n  &::file-selector-button {\n    padding: $input-padding-y-sm $input-padding-x-sm;\n    margin: (-$input-padding-y-sm) (-$input-padding-x-sm);\n    margin-inline-end: $input-padding-x-sm;\n  }\n}\n\n.form-control-lg {\n  min-height: $input-height-lg;\n  padding: $input-padding-y-lg $input-padding-x-lg;\n  @include font-size($input-font-size-lg);\n  @include border-radius($input-border-radius-lg);\n\n  &::file-selector-button {\n    padding: $input-padding-y-lg $input-padding-x-lg;\n    margin: (-$input-padding-y-lg) (-$input-padding-x-lg);\n    margin-inline-end: $input-padding-x-lg;\n  }\n}\n\n// Make sure textareas don't shrink too much when resized\n// https://github.com/twbs/bootstrap/pull/29124\n// stylelint-disable selector-no-qualifying-type\ntextarea {\n  &.form-control {\n    min-height: $input-height;\n  }\n\n  &.form-control-sm {\n    min-height: $input-height-sm;\n  }\n\n  &.form-control-lg {\n    min-height: $input-height-lg;\n  }\n}\n// stylelint-enable selector-no-qualifying-type\n\n.form-control-color {\n  width: $form-color-width;\n  height: $input-height;\n  padding: $input-padding-y;\n\n  &:not(:disabled):not([readonly]) {\n    cursor: pointer;\n  }\n\n  &::-moz-color-swatch {\n    border: 0 !important; // stylelint-disable-line declaration-no-important\n    @include border-radius($input-border-radius);\n  }\n\n  &::-webkit-color-swatch {\n    border: 0 !important; // stylelint-disable-line declaration-no-important\n    @include border-radius($input-border-radius);\n  }\n\n  &.form-control-sm { height: $input-height-sm; }\n  &.form-control-lg { height: $input-height-lg; }\n}\n","// stylelint-disable property-disallowed-list\n@mixin transition($transition...) {\n  @if length($transition) == 0 {\n    $transition: $transition-base;\n  }\n\n  @if length($transition) > 1 {\n    @each $value in $transition {\n      @if $value == null or $value == none {\n        @warn \"The keyword 'none' or 'null' must be used as a single argument.\";\n      }\n    }\n  }\n\n  @if $enable-transitions {\n    @if nth($transition, 1) != null {\n      transition: $transition;\n    }\n\n    @if $enable-reduced-motion and nth($transition, 1) != null and nth($transition, 1) != none {\n      @media (prefers-reduced-motion: reduce) {\n        transition: none;\n      }\n    }\n  }\n}\n","// Gradients\n\n// scss-docs-start gradient-bg-mixin\n@mixin gradient-bg($color: null) {\n  background-color: $color;\n\n  @if $enable-gradients {\n    background-image: var(--#{$prefix}gradient);\n  }\n}\n// scss-docs-end gradient-bg-mixin\n\n// scss-docs-start gradient-mixins\n// Horizontal gradient, from left to right\n//\n// Creates two color stops, start and end, by specifying a color and position for each color stop.\n@mixin gradient-x($start-color: $gray-700, $end-color: $gray-800, $start-percent: 0%, $end-percent: 100%) {\n  background-image: linear-gradient(to right, $start-color $start-percent, $end-color $end-percent);\n}\n\n// Vertical gradient, from top to bottom\n//\n// Creates two color stops, start and end, by specifying a color and position for each color stop.\n@mixin gradient-y($start-color: $gray-700, $end-color: $gray-800, $start-percent: null, $end-percent: null) {\n  background-image: linear-gradient(to bottom, $start-color $start-percent, $end-color $end-percent);\n}\n\n@mixin gradient-directional($start-color: $gray-700, $end-color: $gray-800, $deg: 45deg) {\n  background-image: linear-gradient($deg, $start-color, $end-color);\n}\n\n@mixin gradient-x-three-colors($start-color: $blue, $mid-color: $purple, $color-stop: 50%, $end-color: $red) {\n  background-image: linear-gradient(to right, $start-color, $mid-color $color-stop, $end-color);\n}\n\n@mixin gradient-y-three-colors($start-color: $blue, $mid-color: $purple, $color-stop: 50%, $end-color: $red) {\n  background-image: linear-gradient($start-color, $mid-color $color-stop, $end-color);\n}\n\n@mixin gradient-radial($inner-color: $gray-700, $outer-color: $gray-800) {\n  background-image: radial-gradient(circle, $inner-color, $outer-color);\n}\n\n@mixin gradient-striped($color: rgba($white, .15), $angle: 45deg) {\n  background-image: linear-gradient($angle, $color 25%, transparent 25%, transparent 50%, $color 50%, $color 75%, transparent 75%, transparent);\n}\n// scss-docs-end gradient-mixins\n","// Select\n//\n// Replaces the browser default select with a custom one, mostly pulled from\n// https://primer.github.io/.\n\n.form-select {\n  --#{$prefix}form-select-bg-img: #{escape-svg($form-select-indicator)};\n\n  display: block;\n  width: 100%;\n  padding: $form-select-padding-y $form-select-indicator-padding $form-select-padding-y $form-select-padding-x;\n  font-family: $form-select-font-family;\n  @include font-size($form-select-font-size);\n  font-weight: $form-select-font-weight;\n  line-height: $form-select-line-height;\n  color: $form-select-color;\n  appearance: none;\n  background-color: $form-select-bg;\n  background-image: var(--#{$prefix}form-select-bg-img), var(--#{$prefix}form-select-bg-icon, none);\n  background-repeat: no-repeat;\n  background-position: $form-select-bg-position;\n  background-size: $form-select-bg-size;\n  border: $form-select-border-width solid $form-select-border-color;\n  @include border-radius($form-select-border-radius, 0);\n  @include box-shadow($form-select-box-shadow);\n  @include transition($form-select-transition);\n\n  &:focus {\n    border-color: $form-select-focus-border-color;\n    outline: 0;\n    @if $enable-shadows {\n      @include box-shadow($form-select-box-shadow, $form-select-focus-box-shadow);\n    } @else {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      box-shadow: $form-select-focus-box-shadow;\n    }\n  }\n\n  &[multiple],\n  &[size]:not([size=\"1\"]) {\n    padding-right: $form-select-padding-x;\n    background-image: none;\n  }\n\n  &:disabled {\n    color: $form-select-disabled-color;\n    background-color: $form-select-disabled-bg;\n    border-color: $form-select-disabled-border-color;\n  }\n\n  // Remove outline from select box in FF\n  &:-moz-focusring {\n    color: transparent;\n    text-shadow: 0 0 0 $form-select-color;\n  }\n}\n\n.form-select-sm {\n  padding-top: $form-select-padding-y-sm;\n  padding-bottom: $form-select-padding-y-sm;\n  padding-left: $form-select-padding-x-sm;\n  @include font-size($form-select-font-size-sm);\n  @include border-radius($form-select-border-radius-sm);\n}\n\n.form-select-lg {\n  padding-top: $form-select-padding-y-lg;\n  padding-bottom: $form-select-padding-y-lg;\n  padding-left: $form-select-padding-x-lg;\n  @include font-size($form-select-font-size-lg);\n  @include border-radius($form-select-border-radius-lg);\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .form-select {\n      --#{$prefix}form-select-bg-img: #{escape-svg($form-select-indicator-dark)};\n    }\n  }\n}\n","//\n// Check/radio\n//\n\n.form-check {\n  display: block;\n  min-height: $form-check-min-height;\n  padding-left: $form-check-padding-start;\n  margin-bottom: $form-check-margin-bottom;\n\n  .form-check-input {\n    float: left;\n    margin-left: $form-check-padding-start * -1;\n  }\n}\n\n.form-check-reverse {\n  padding-right: $form-check-padding-start;\n  padding-left: 0;\n  text-align: right;\n\n  .form-check-input {\n    float: right;\n    margin-right: $form-check-padding-start * -1;\n    margin-left: 0;\n  }\n}\n\n.form-check-input {\n  --#{$prefix}form-check-bg: #{$form-check-input-bg};\n\n  flex-shrink: 0;\n  width: $form-check-input-width;\n  height: $form-check-input-width;\n  margin-top: ($line-height-base - $form-check-input-width) * .5; // line-height minus check height\n  vertical-align: top;\n  appearance: none;\n  background-color: var(--#{$prefix}form-check-bg);\n  background-image: var(--#{$prefix}form-check-bg-image);\n  background-repeat: no-repeat;\n  background-position: center;\n  background-size: contain;\n  border: $form-check-input-border;\n  print-color-adjust: exact; // Keep themed appearance for print\n  @include transition($form-check-transition);\n\n  &[type=\"checkbox\"] {\n    @include border-radius($form-check-input-border-radius);\n  }\n\n  &[type=\"radio\"] {\n    // stylelint-disable-next-line property-disallowed-list\n    border-radius: $form-check-radio-border-radius;\n  }\n\n  &:active {\n    filter: $form-check-input-active-filter;\n  }\n\n  &:focus {\n    border-color: $form-check-input-focus-border;\n    outline: 0;\n    box-shadow: $form-check-input-focus-box-shadow;\n  }\n\n  &:checked {\n    background-color: $form-check-input-checked-bg-color;\n    border-color: $form-check-input-checked-border-color;\n\n    &[type=\"checkbox\"] {\n      @if $enable-gradients {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-checked-bg-image)};\n      }\n    }\n\n    &[type=\"radio\"] {\n      @if $enable-gradients {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-radio-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-radio-checked-bg-image)};\n      }\n    }\n  }\n\n  &[type=\"checkbox\"]:indeterminate {\n    background-color: $form-check-input-indeterminate-bg-color;\n    border-color: $form-check-input-indeterminate-border-color;\n\n    @if $enable-gradients {\n      --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-indeterminate-bg-image)}, var(--#{$prefix}gradient);\n    } @else {\n      --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-indeterminate-bg-image)};\n    }\n  }\n\n  &:disabled {\n    pointer-events: none;\n    filter: none;\n    opacity: $form-check-input-disabled-opacity;\n  }\n\n  // Use disabled attribute in addition of :disabled pseudo-class\n  // See: https://github.com/twbs/bootstrap/issues/28247\n  &[disabled],\n  &:disabled {\n    ~ .form-check-label {\n      cursor: default;\n      opacity: $form-check-label-disabled-opacity;\n    }\n  }\n}\n\n.form-check-label {\n  color: $form-check-label-color;\n  cursor: $form-check-label-cursor;\n}\n\n//\n// Switch\n//\n\n.form-switch {\n  padding-left: $form-switch-padding-start;\n\n  .form-check-input {\n    --#{$prefix}form-switch-bg: #{escape-svg($form-switch-bg-image)};\n\n    width: $form-switch-width;\n    margin-left: $form-switch-padding-start * -1;\n    background-image: var(--#{$prefix}form-switch-bg);\n    background-position: left center;\n    @include border-radius($form-switch-border-radius);\n    @include transition($form-switch-transition);\n\n    &:focus {\n      --#{$prefix}form-switch-bg: #{escape-svg($form-switch-focus-bg-image)};\n    }\n\n    &:checked {\n      background-position: $form-switch-checked-bg-position;\n\n      @if $enable-gradients {\n        --#{$prefix}form-switch-bg: #{escape-svg($form-switch-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-switch-bg: #{escape-svg($form-switch-checked-bg-image)};\n      }\n    }\n  }\n\n  &.form-check-reverse {\n    padding-right: $form-switch-padding-start;\n    padding-left: 0;\n\n    .form-check-input {\n      margin-right: $form-switch-padding-start * -1;\n      margin-left: 0;\n    }\n  }\n}\n\n.form-check-inline {\n  display: inline-block;\n  margin-right: $form-check-inline-margin-end;\n}\n\n.btn-check {\n  position: absolute;\n  clip: rect(0, 0, 0, 0);\n  pointer-events: none;\n\n  &[disabled],\n  &:disabled {\n    + .btn {\n      pointer-events: none;\n      filter: none;\n      opacity: $form-check-btn-check-disabled-opacity;\n    }\n  }\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .form-switch .form-check-input:not(:checked):not(:focus) {\n      --#{$prefix}form-switch-bg: #{escape-svg($form-switch-bg-image-dark)};\n    }\n  }\n}\n","// Range\n//\n// Style range inputs the same across browsers. Vendor-specific rules for pseudo\n// elements cannot be mixed. As such, there are no shared styles for focus or\n// active states on prefixed selectors.\n\n.form-range {\n  width: 100%;\n  height: add($form-range-thumb-height, $form-range-thumb-focus-box-shadow-width * 2);\n  padding: 0; // Need to reset padding\n  appearance: none;\n  background-color: transparent;\n\n  &:focus {\n    outline: 0;\n\n    // Pseudo-elements must be split across multiple rulesets to have an effect.\n    // No box-shadow() mixin for focus accessibility.\n    &::-webkit-slider-thumb { box-shadow: $form-range-thumb-focus-box-shadow; }\n    &::-moz-range-thumb     { box-shadow: $form-range-thumb-focus-box-shadow; }\n  }\n\n  &::-moz-focus-outer {\n    border: 0;\n  }\n\n  &::-webkit-slider-thumb {\n    width: $form-range-thumb-width;\n    height: $form-range-thumb-height;\n    margin-top: ($form-range-track-height - $form-range-thumb-height) * .5; // Webkit specific\n    appearance: none;\n    @include gradient-bg($form-range-thumb-bg);\n    border: $form-range-thumb-border;\n    @include border-radius($form-range-thumb-border-radius);\n    @include box-shadow($form-range-thumb-box-shadow);\n    @include transition($form-range-thumb-transition);\n\n    &:active {\n      @include gradient-bg($form-range-thumb-active-bg);\n    }\n  }\n\n  &::-webkit-slider-runnable-track {\n    width: $form-range-track-width;\n    height: $form-range-track-height;\n    color: transparent; // Why?\n    cursor: $form-range-track-cursor;\n    background-color: $form-range-track-bg;\n    border-color: transparent;\n    @include border-radius($form-range-track-border-radius);\n    @include box-shadow($form-range-track-box-shadow);\n  }\n\n  &::-moz-range-thumb {\n    width: $form-range-thumb-width;\n    height: $form-range-thumb-height;\n    appearance: none;\n    @include gradient-bg($form-range-thumb-bg);\n    border: $form-range-thumb-border;\n    @include border-radius($form-range-thumb-border-radius);\n    @include box-shadow($form-range-thumb-box-shadow);\n    @include transition($form-range-thumb-transition);\n\n    &:active {\n      @include gradient-bg($form-range-thumb-active-bg);\n    }\n  }\n\n  &::-moz-range-track {\n    width: $form-range-track-width;\n    height: $form-range-track-height;\n    color: transparent;\n    cursor: $form-range-track-cursor;\n    background-color: $form-range-track-bg;\n    border-color: transparent; // Firefox specific?\n    @include border-radius($form-range-track-border-radius);\n    @include box-shadow($form-range-track-box-shadow);\n  }\n\n  &:disabled {\n    pointer-events: none;\n\n    &::-webkit-slider-thumb {\n      background-color: $form-range-thumb-disabled-bg;\n    }\n\n    &::-moz-range-thumb {\n      background-color: $form-range-thumb-disabled-bg;\n    }\n  }\n}\n",".form-floating {\n  position: relative;\n\n  > .form-control,\n  > .form-control-plaintext,\n  > .form-select {\n    height: $form-floating-height;\n    min-height: $form-floating-height;\n    line-height: $form-floating-line-height;\n  }\n\n  > label {\n    position: absolute;\n    top: 0;\n    left: 0;\n    z-index: 2;\n    height: 100%; // allow textareas\n    padding: $form-floating-padding-y $form-floating-padding-x;\n    overflow: hidden;\n    text-align: start;\n    text-overflow: ellipsis;\n    white-space: nowrap;\n    pointer-events: none;\n    border: $input-border-width solid transparent; // Required for aligning label's text with the input as it affects inner box model\n    transform-origin: 0 0;\n    @include transition($form-floating-transition);\n  }\n\n  > .form-control,\n  > .form-control-plaintext {\n    padding: $form-floating-padding-y $form-floating-padding-x;\n\n    &::placeholder {\n      color: transparent;\n    }\n\n    &:focus,\n    &:not(:placeholder-shown) {\n      padding-top: $form-floating-input-padding-t;\n      padding-bottom: $form-floating-input-padding-b;\n    }\n    // Duplicated because `:-webkit-autofill` invalidates other selectors when grouped\n    &:-webkit-autofill {\n      padding-top: $form-floating-input-padding-t;\n      padding-bottom: $form-floating-input-padding-b;\n    }\n  }\n\n  > .form-select {\n    padding-top: $form-floating-input-padding-t;\n    padding-bottom: $form-floating-input-padding-b;\n  }\n\n  > .form-control:focus,\n  > .form-control:not(:placeholder-shown),\n  > .form-control-plaintext,\n  > .form-select {\n    ~ label {\n      color: rgba(var(--#{$prefix}body-color-rgb), #{$form-floating-label-opacity});\n      transform: $form-floating-label-transform;\n\n      &::after {\n        position: absolute;\n        inset: $form-floating-padding-y ($form-floating-padding-x * .5);\n        z-index: -1;\n        height: $form-floating-label-height;\n        content: \"\";\n        background-color: $input-bg;\n        @include border-radius($input-border-radius);\n      }\n    }\n  }\n  // Duplicated because `:-webkit-autofill` invalidates other selectors when grouped\n  > .form-control:-webkit-autofill {\n    ~ label {\n      color: rgba(var(--#{$prefix}body-color-rgb), #{$form-floating-label-opacity});\n      transform: $form-floating-label-transform;\n    }\n  }\n\n  > .form-control-plaintext {\n    ~ label {\n      border-width: $input-border-width 0; // Required to properly position label text - as explained above\n    }\n  }\n\n  > :disabled ~ label,\n  > .form-control:disabled ~ label { // Required for `.form-control`s because of specificity\n    color: $form-floating-label-disabled-color;\n\n    &::after {\n      background-color: $input-disabled-bg;\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.input-group {\n  position: relative;\n  display: flex;\n  flex-wrap: wrap; // For form validation feedback\n  align-items: stretch;\n  width: 100%;\n\n  > .form-control,\n  > .form-select,\n  > .form-floating {\n    position: relative; // For focus state's z-index\n    flex: 1 1 auto;\n    width: 1%;\n    min-width: 0; // https://stackoverflow.com/questions/36247140/why-dont-flex-items-shrink-past-content-size\n  }\n\n  // Bring the \"active\" form control to the top of surrounding elements\n  > .form-control:focus,\n  > .form-select:focus,\n  > .form-floating:focus-within {\n    z-index: 5;\n  }\n\n  // Ensure buttons are always above inputs for more visually pleasing borders.\n  // This isn't needed for `.input-group-text` since it shares the same border-color\n  // as our inputs.\n  .btn {\n    position: relative;\n    z-index: 2;\n\n    &:focus {\n      z-index: 5;\n    }\n  }\n}\n\n\n// Textual addons\n//\n// Serves as a catch-all element for any text or radio/checkbox input you wish\n// to prepend or append to an input.\n\n.input-group-text {\n  display: flex;\n  align-items: center;\n  padding: $input-group-addon-padding-y $input-group-addon-padding-x;\n  @include font-size($input-font-size); // Match inputs\n  font-weight: $input-group-addon-font-weight;\n  line-height: $input-line-height;\n  color: $input-group-addon-color;\n  text-align: center;\n  white-space: nowrap;\n  background-color: $input-group-addon-bg;\n  border: $input-border-width solid $input-group-addon-border-color;\n  @include border-radius($input-border-radius);\n}\n\n\n// Sizing\n//\n// Remix the default form control sizing classes into new ones for easier\n// manipulation.\n\n.input-group-lg > .form-control,\n.input-group-lg > .form-select,\n.input-group-lg > .input-group-text,\n.input-group-lg > .btn {\n  padding: $input-padding-y-lg $input-padding-x-lg;\n  @include font-size($input-font-size-lg);\n  @include border-radius($input-border-radius-lg);\n}\n\n.input-group-sm > .form-control,\n.input-group-sm > .form-select,\n.input-group-sm > .input-group-text,\n.input-group-sm > .btn {\n  padding: $input-padding-y-sm $input-padding-x-sm;\n  @include font-size($input-font-size-sm);\n  @include border-radius($input-border-radius-sm);\n}\n\n.input-group-lg > .form-select,\n.input-group-sm > .form-select {\n  padding-right: $form-select-padding-x + $form-select-indicator-padding;\n}\n\n\n// Rounded corners\n//\n// These rulesets must come after the sizing ones to properly override sm and lg\n// border-radius values when extending. They're more specific than we'd like\n// with the `.input-group >` part, but without it, we cannot override the sizing.\n\n// stylelint-disable-next-line no-duplicate-selectors\n.input-group {\n  &:not(.has-validation) {\n    > :not(:last-child):not(.dropdown-toggle):not(.dropdown-menu):not(.form-floating),\n    > .dropdown-toggle:nth-last-child(n + 3),\n    > .form-floating:not(:last-child) > .form-control,\n    > .form-floating:not(:last-child) > .form-select {\n      @include border-end-radius(0);\n    }\n  }\n\n  &.has-validation {\n    > :nth-last-child(n + 3):not(.dropdown-toggle):not(.dropdown-menu):not(.form-floating),\n    > .dropdown-toggle:nth-last-child(n + 4),\n    > .form-floating:nth-last-child(n + 3) > .form-control,\n    > .form-floating:nth-last-child(n + 3) > .form-select {\n      @include border-end-radius(0);\n    }\n  }\n\n  $validation-messages: \"\";\n  @each $state in map-keys($form-validation-states) {\n    $validation-messages: $validation-messages + \":not(.\" + unquote($state) + \"-tooltip)\" + \":not(.\" + unquote($state) + \"-feedback)\";\n  }\n\n  > :not(:first-child):not(.dropdown-menu)#{$validation-messages} {\n    margin-left: calc(#{$input-border-width} * -1); // stylelint-disable-line function-disallowed-list\n    @include border-start-radius(0);\n  }\n\n  > .form-floating:not(:first-child) > .form-control,\n  > .form-floating:not(:first-child) > .form-select {\n    @include border-start-radius(0);\n  }\n}\n","// This mixin uses an `if()` technique to be compatible with Dart Sass\n// See https://github.com/sass/sass/issues/1873#issuecomment-152293725 for more details\n\n// scss-docs-start form-validation-mixins\n@mixin form-validation-state-selector($state) {\n  @if ($state == \"valid\" or $state == \"invalid\") {\n    .was-validated #{if(&, \"&\", \"\")}:#{$state},\n    #{if(&, \"&\", \"\")}.is-#{$state} {\n      @content;\n    }\n  } @else {\n    #{if(&, \"&\", \"\")}.is-#{$state} {\n      @content;\n    }\n  }\n}\n\n@mixin form-validation-state(\n  $state,\n  $color,\n  $icon,\n  $tooltip-color: color-contrast($color),\n  $tooltip-bg-color: rgba($color, $form-feedback-tooltip-opacity),\n  $focus-box-shadow: 0 0 $input-btn-focus-blur $input-focus-width rgba($color, $input-btn-focus-color-opacity),\n  $border-color: $color\n) {\n  .#{$state}-feedback {\n    display: none;\n    width: 100%;\n    margin-top: $form-feedback-margin-top;\n    @include font-size($form-feedback-font-size);\n    font-style: $form-feedback-font-style;\n    color: $color;\n  }\n\n  .#{$state}-tooltip {\n    position: absolute;\n    top: 100%;\n    z-index: 5;\n    display: none;\n    max-width: 100%; // Contain to parent when possible\n    padding: $form-feedback-tooltip-padding-y $form-feedback-tooltip-padding-x;\n    margin-top: .1rem;\n    @include font-size($form-feedback-tooltip-font-size);\n    line-height: $form-feedback-tooltip-line-height;\n    color: $tooltip-color;\n    background-color: $tooltip-bg-color;\n    @include border-radius($form-feedback-tooltip-border-radius);\n  }\n\n  @include form-validation-state-selector($state) {\n    ~ .#{$state}-feedback,\n    ~ .#{$state}-tooltip {\n      display: block;\n    }\n  }\n\n  .form-control {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      @if $enable-validation-icons {\n        padding-right: $input-height-inner;\n        background-image: escape-svg($icon);\n        background-repeat: no-repeat;\n        background-position: right $input-height-inner-quarter center;\n        background-size: $input-height-inner-half $input-height-inner-half;\n      }\n\n      &:focus {\n        border-color: $border-color;\n        box-shadow: $focus-box-shadow;\n      }\n    }\n  }\n\n  // stylelint-disable-next-line selector-no-qualifying-type\n  textarea.form-control {\n    @include form-validation-state-selector($state) {\n      @if $enable-validation-icons {\n        padding-right: $input-height-inner;\n        background-position: top $input-height-inner-quarter right $input-height-inner-quarter;\n      }\n    }\n  }\n\n  .form-select {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      @if $enable-validation-icons {\n        &:not([multiple]):not([size]),\n        &:not([multiple])[size=\"1\"] {\n          --#{$prefix}form-select-bg-icon: #{escape-svg($icon)};\n          padding-right: $form-select-feedback-icon-padding-end;\n          background-position: $form-select-bg-position, $form-select-feedback-icon-position;\n          background-size: $form-select-bg-size, $form-select-feedback-icon-size;\n        }\n      }\n\n      &:focus {\n        border-color: $border-color;\n        box-shadow: $focus-box-shadow;\n      }\n    }\n  }\n\n  .form-control-color {\n    @include form-validation-state-selector($state) {\n      @if $enable-validation-icons {\n        width: add($form-color-width, $input-height-inner);\n      }\n    }\n  }\n\n  .form-check-input {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      &:checked {\n        background-color: $color;\n      }\n\n      &:focus {\n        box-shadow: $focus-box-shadow;\n      }\n\n      ~ .form-check-label {\n        color: $color;\n      }\n    }\n  }\n  .form-check-inline .form-check-input {\n    ~ .#{$state}-feedback {\n      margin-left: .5em;\n    }\n  }\n\n  .input-group {\n    > .form-control:not(:focus),\n    > .form-select:not(:focus),\n    > .form-floating:not(:focus-within) {\n      @include form-validation-state-selector($state) {\n        @if $state == \"valid\" {\n          z-index: 3;\n        } @else if $state == \"invalid\" {\n          z-index: 4;\n        }\n      }\n    }\n  }\n}\n// scss-docs-end form-validation-mixins\n","//\n// Base styles\n//\n\n.btn {\n  // scss-docs-start btn-css-vars\n  --#{$prefix}btn-padding-x: #{$btn-padding-x};\n  --#{$prefix}btn-padding-y: #{$btn-padding-y};\n  --#{$prefix}btn-font-family: #{$btn-font-family};\n  @include rfs($btn-font-size, --#{$prefix}btn-font-size);\n  --#{$prefix}btn-font-weight: #{$btn-font-weight};\n  --#{$prefix}btn-line-height: #{$btn-line-height};\n  --#{$prefix}btn-color: #{$btn-color};\n  --#{$prefix}btn-bg: transparent;\n  --#{$prefix}btn-border-width: #{$btn-border-width};\n  --#{$prefix}btn-border-color: transparent;\n  --#{$prefix}btn-border-radius: #{$btn-border-radius};\n  --#{$prefix}btn-hover-border-color: transparent;\n  --#{$prefix}btn-box-shadow: #{$btn-box-shadow};\n  --#{$prefix}btn-disabled-opacity: #{$btn-disabled-opacity};\n  --#{$prefix}btn-focus-box-shadow: 0 0 0 #{$btn-focus-width} rgba(var(--#{$prefix}btn-focus-shadow-rgb), .5);\n  // scss-docs-end btn-css-vars\n\n  display: inline-block;\n  padding: var(--#{$prefix}btn-padding-y) var(--#{$prefix}btn-padding-x);\n  font-family: var(--#{$prefix}btn-font-family);\n  @include font-size(var(--#{$prefix}btn-font-size));\n  font-weight: var(--#{$prefix}btn-font-weight);\n  line-height: var(--#{$prefix}btn-line-height);\n  color: var(--#{$prefix}btn-color);\n  text-align: center;\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: $btn-white-space;\n  vertical-align: middle;\n  cursor: if($enable-button-pointers, pointer, null);\n  user-select: none;\n  border: var(--#{$prefix}btn-border-width) solid var(--#{$prefix}btn-border-color);\n  @include border-radius(var(--#{$prefix}btn-border-radius));\n  @include gradient-bg(var(--#{$prefix}btn-bg));\n  @include box-shadow(var(--#{$prefix}btn-box-shadow));\n  @include transition($btn-transition);\n\n  &:hover {\n    color: var(--#{$prefix}btn-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    background-color: var(--#{$prefix}btn-hover-bg);\n    border-color: var(--#{$prefix}btn-hover-border-color);\n  }\n\n  .btn-check + &:hover {\n    // override for the checkbox/radio buttons\n    color: var(--#{$prefix}btn-color);\n    background-color: var(--#{$prefix}btn-bg);\n    border-color: var(--#{$prefix}btn-border-color);\n  }\n\n  &:focus-visible {\n    color: var(--#{$prefix}btn-hover-color);\n    @include gradient-bg(var(--#{$prefix}btn-hover-bg));\n    border-color: var(--#{$prefix}btn-hover-border-color);\n    outline: 0;\n    // Avoid using mixin so we can pass custom focus shadow properly\n    @if $enable-shadows {\n      box-shadow: var(--#{$prefix}btn-box-shadow), var(--#{$prefix}btn-focus-box-shadow);\n    } @else {\n      box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n    }\n  }\n\n  .btn-check:focus-visible + & {\n    border-color: var(--#{$prefix}btn-hover-border-color);\n    outline: 0;\n    // Avoid using mixin so we can pass custom focus shadow properly\n    @if $enable-shadows {\n      box-shadow: var(--#{$prefix}btn-box-shadow), var(--#{$prefix}btn-focus-box-shadow);\n    } @else {\n      box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n    }\n  }\n\n  .btn-check:checked + &,\n  :not(.btn-check) + &:active,\n  &:first-child:active,\n  &.active,\n  &.show {\n    color: var(--#{$prefix}btn-active-color);\n    background-color: var(--#{$prefix}btn-active-bg);\n    // Remove CSS gradients if they're enabled\n    background-image: if($enable-gradients, none, null);\n    border-color: var(--#{$prefix}btn-active-border-color);\n    @include box-shadow(var(--#{$prefix}btn-active-shadow));\n\n    &:focus-visible {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      @if $enable-shadows {\n        box-shadow: var(--#{$prefix}btn-active-shadow), var(--#{$prefix}btn-focus-box-shadow);\n      } @else {\n        box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n      }\n    }\n  }\n\n  &:disabled,\n  &.disabled,\n  fieldset:disabled & {\n    color: var(--#{$prefix}btn-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}btn-disabled-bg);\n    background-image: if($enable-gradients, none, null);\n    border-color: var(--#{$prefix}btn-disabled-border-color);\n    opacity: var(--#{$prefix}btn-disabled-opacity);\n    @include box-shadow(none);\n  }\n}\n\n\n//\n// Alternate buttons\n//\n\n// scss-docs-start btn-variant-loops\n@each $color, $value in $theme-colors {\n  .btn-#{$color} {\n    @if $color == \"light\" {\n      @include button-variant(\n        $value,\n        $value,\n        $hover-background: shade-color($value, $btn-hover-bg-shade-amount),\n        $hover-border: shade-color($value, $btn-hover-border-shade-amount),\n        $active-background: shade-color($value, $btn-active-bg-shade-amount),\n        $active-border: shade-color($value, $btn-active-border-shade-amount)\n      );\n    } @else if $color == \"dark\" {\n      @include button-variant(\n        $value,\n        $value,\n        $hover-background: tint-color($value, $btn-hover-bg-tint-amount),\n        $hover-border: tint-color($value, $btn-hover-border-tint-amount),\n        $active-background: tint-color($value, $btn-active-bg-tint-amount),\n        $active-border: tint-color($value, $btn-active-border-tint-amount)\n      );\n    } @else {\n      @include button-variant($value, $value);\n    }\n  }\n}\n\n@each $color, $value in $theme-colors {\n  .btn-outline-#{$color} {\n    @include button-outline-variant($value);\n  }\n}\n// scss-docs-end btn-variant-loops\n\n\n//\n// Link buttons\n//\n\n// Make a button look and behave like a link\n.btn-link {\n  --#{$prefix}btn-font-weight: #{$font-weight-normal};\n  --#{$prefix}btn-color: #{$btn-link-color};\n  --#{$prefix}btn-bg: transparent;\n  --#{$prefix}btn-border-color: transparent;\n  --#{$prefix}btn-hover-color: #{$btn-link-hover-color};\n  --#{$prefix}btn-hover-border-color: transparent;\n  --#{$prefix}btn-active-color: #{$btn-link-hover-color};\n  --#{$prefix}btn-active-border-color: transparent;\n  --#{$prefix}btn-disabled-color: #{$btn-link-disabled-color};\n  --#{$prefix}btn-disabled-border-color: transparent;\n  --#{$prefix}btn-box-shadow: 0 0 0 #000; // Can't use `none` as keyword negates all values when used with multiple shadows\n  --#{$prefix}btn-focus-shadow-rgb: #{$btn-link-focus-shadow-rgb};\n\n  text-decoration: $link-decoration;\n  @if $enable-gradients {\n    background-image: none;\n  }\n\n  &:hover,\n  &:focus-visible {\n    text-decoration: $link-hover-decoration;\n  }\n\n  &:focus-visible {\n    color: var(--#{$prefix}btn-color);\n  }\n\n  &:hover {\n    color: var(--#{$prefix}btn-hover-color);\n  }\n\n  // No need for an active state here\n}\n\n\n//\n// Button Sizes\n//\n\n.btn-lg {\n  @include button-size($btn-padding-y-lg, $btn-padding-x-lg, $btn-font-size-lg, $btn-border-radius-lg);\n}\n\n.btn-sm {\n  @include button-size($btn-padding-y-sm, $btn-padding-x-sm, $btn-font-size-sm, $btn-border-radius-sm);\n}\n","// Button variants\n//\n// Easily pump out default styles, as well as :hover, :focus, :active,\n// and disabled options for all buttons\n\n// scss-docs-start btn-variant-mixin\n@mixin button-variant(\n  $background,\n  $border,\n  $color: color-contrast($background),\n  $hover-background: if($color == $color-contrast-light, shade-color($background, $btn-hover-bg-shade-amount), tint-color($background, $btn-hover-bg-tint-amount)),\n  $hover-border: if($color == $color-contrast-light, shade-color($border, $btn-hover-border-shade-amount), tint-color($border, $btn-hover-border-tint-amount)),\n  $hover-color: color-contrast($hover-background),\n  $active-background: if($color == $color-contrast-light, shade-color($background, $btn-active-bg-shade-amount), tint-color($background, $btn-active-bg-tint-amount)),\n  $active-border: if($color == $color-contrast-light, shade-color($border, $btn-active-border-shade-amount), tint-color($border, $btn-active-border-tint-amount)),\n  $active-color: color-contrast($active-background),\n  $disabled-background: $background,\n  $disabled-border: $border,\n  $disabled-color: color-contrast($disabled-background)\n) {\n  --#{$prefix}btn-color: #{$color};\n  --#{$prefix}btn-bg: #{$background};\n  --#{$prefix}btn-border-color: #{$border};\n  --#{$prefix}btn-hover-color: #{$hover-color};\n  --#{$prefix}btn-hover-bg: #{$hover-background};\n  --#{$prefix}btn-hover-border-color: #{$hover-border};\n  --#{$prefix}btn-focus-shadow-rgb: #{to-rgb(mix($color, $border, 15%))};\n  --#{$prefix}btn-active-color: #{$active-color};\n  --#{$prefix}btn-active-bg: #{$active-background};\n  --#{$prefix}btn-active-border-color: #{$active-border};\n  --#{$prefix}btn-active-shadow: #{$btn-active-box-shadow};\n  --#{$prefix}btn-disabled-color: #{$disabled-color};\n  --#{$prefix}btn-disabled-bg: #{$disabled-background};\n  --#{$prefix}btn-disabled-border-color: #{$disabled-border};\n}\n// scss-docs-end btn-variant-mixin\n\n// scss-docs-start btn-outline-variant-mixin\n@mixin button-outline-variant(\n  $color,\n  $color-hover: color-contrast($color),\n  $active-background: $color,\n  $active-border: $color,\n  $active-color: color-contrast($active-background)\n) {\n  --#{$prefix}btn-color: #{$color};\n  --#{$prefix}btn-border-color: #{$color};\n  --#{$prefix}btn-hover-color: #{$color-hover};\n  --#{$prefix}btn-hover-bg: #{$active-background};\n  --#{$prefix}btn-hover-border-color: #{$active-border};\n  --#{$prefix}btn-focus-shadow-rgb: #{to-rgb($color)};\n  --#{$prefix}btn-active-color: #{$active-color};\n  --#{$prefix}btn-active-bg: #{$active-background};\n  --#{$prefix}btn-active-border-color: #{$active-border};\n  --#{$prefix}btn-active-shadow: #{$btn-active-box-shadow};\n  --#{$prefix}btn-disabled-color: #{$color};\n  --#{$prefix}btn-disabled-bg: transparent;\n  --#{$prefix}btn-disabled-border-color: #{$color};\n  --#{$prefix}gradient: none;\n}\n// scss-docs-end btn-outline-variant-mixin\n\n// scss-docs-start btn-size-mixin\n@mixin button-size($padding-y, $padding-x, $font-size, $border-radius) {\n  --#{$prefix}btn-padding-y: #{$padding-y};\n  --#{$prefix}btn-padding-x: #{$padding-x};\n  @include rfs($font-size, --#{$prefix}btn-font-size);\n  --#{$prefix}btn-border-radius: #{$border-radius};\n}\n// scss-docs-end btn-size-mixin\n",".fade {\n  @include transition($transition-fade);\n\n  &:not(.show) {\n    opacity: 0;\n  }\n}\n\n// scss-docs-start collapse-classes\n.collapse {\n  &:not(.show) {\n    display: none;\n  }\n}\n\n.collapsing {\n  height: 0;\n  overflow: hidden;\n  @include transition($transition-collapse);\n\n  &.collapse-horizontal {\n    width: 0;\n    height: auto;\n    @include transition($transition-collapse-width);\n  }\n}\n// scss-docs-end collapse-classes\n","// The dropdown wrapper (`<div>`)\n.dropup,\n.dropend,\n.dropdown,\n.dropstart,\n.dropup-center,\n.dropdown-center {\n  position: relative;\n}\n\n.dropdown-toggle {\n  white-space: nowrap;\n\n  // Generate the caret automatically\n  @include caret();\n}\n\n// The dropdown menu\n.dropdown-menu {\n  // scss-docs-start dropdown-css-vars\n  --#{$prefix}dropdown-zindex: #{$zindex-dropdown};\n  --#{$prefix}dropdown-min-width: #{$dropdown-min-width};\n  --#{$prefix}dropdown-padding-x: #{$dropdown-padding-x};\n  --#{$prefix}dropdown-padding-y: #{$dropdown-padding-y};\n  --#{$prefix}dropdown-spacer: #{$dropdown-spacer};\n  @include rfs($dropdown-font-size, --#{$prefix}dropdown-font-size);\n  --#{$prefix}dropdown-color: #{$dropdown-color};\n  --#{$prefix}dropdown-bg: #{$dropdown-bg};\n  --#{$prefix}dropdown-border-color: #{$dropdown-border-color};\n  --#{$prefix}dropdown-border-radius: #{$dropdown-border-radius};\n  --#{$prefix}dropdown-border-width: #{$dropdown-border-width};\n  --#{$prefix}dropdown-inner-border-radius: #{$dropdown-inner-border-radius};\n  --#{$prefix}dropdown-divider-bg: #{$dropdown-divider-bg};\n  --#{$prefix}dropdown-divider-margin-y: #{$dropdown-divider-margin-y};\n  --#{$prefix}dropdown-box-shadow: #{$dropdown-box-shadow};\n  --#{$prefix}dropdown-link-color: #{$dropdown-link-color};\n  --#{$prefix}dropdown-link-hover-color: #{$dropdown-link-hover-color};\n  --#{$prefix}dropdown-link-hover-bg: #{$dropdown-link-hover-bg};\n  --#{$prefix}dropdown-link-active-color: #{$dropdown-link-active-color};\n  --#{$prefix}dropdown-link-active-bg: #{$dropdown-link-active-bg};\n  --#{$prefix}dropdown-link-disabled-color: #{$dropdown-link-disabled-color};\n  --#{$prefix}dropdown-item-padding-x: #{$dropdown-item-padding-x};\n  --#{$prefix}dropdown-item-padding-y: #{$dropdown-item-padding-y};\n  --#{$prefix}dropdown-header-color: #{$dropdown-header-color};\n  --#{$prefix}dropdown-header-padding-x: #{$dropdown-header-padding-x};\n  --#{$prefix}dropdown-header-padding-y: #{$dropdown-header-padding-y};\n  // scss-docs-end dropdown-css-vars\n\n  position: absolute;\n  z-index: var(--#{$prefix}dropdown-zindex);\n  display: none; // none by default, but block on \"open\" of the menu\n  min-width: var(--#{$prefix}dropdown-min-width);\n  padding: var(--#{$prefix}dropdown-padding-y) var(--#{$prefix}dropdown-padding-x);\n  margin: 0; // Override default margin of ul\n  @include font-size(var(--#{$prefix}dropdown-font-size));\n  color: var(--#{$prefix}dropdown-color);\n  text-align: left; // Ensures proper alignment if parent has it changed (e.g., modal footer)\n  list-style: none;\n  background-color: var(--#{$prefix}dropdown-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}dropdown-border-width) solid var(--#{$prefix}dropdown-border-color);\n  @include border-radius(var(--#{$prefix}dropdown-border-radius));\n  @include box-shadow(var(--#{$prefix}dropdown-box-shadow));\n\n  &[data-bs-popper] {\n    top: 100%;\n    left: 0;\n    margin-top: var(--#{$prefix}dropdown-spacer);\n  }\n\n  @if $dropdown-padding-y == 0 {\n    > .dropdown-item:first-child,\n    > li:first-child .dropdown-item {\n      @include border-top-radius(var(--#{$prefix}dropdown-inner-border-radius));\n    }\n    > .dropdown-item:last-child,\n    > li:last-child .dropdown-item {\n      @include border-bottom-radius(var(--#{$prefix}dropdown-inner-border-radius));\n    }\n\n  }\n}\n\n// scss-docs-start responsive-breakpoints\n// We deliberately hardcode the `bs-` prefix because we check\n// this custom property in JS to determine Popper's positioning\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .dropdown-menu#{$infix}-start {\n      --bs-position: start;\n\n      &[data-bs-popper] {\n        right: auto;\n        left: 0;\n      }\n    }\n\n    .dropdown-menu#{$infix}-end {\n      --bs-position: end;\n\n      &[data-bs-popper] {\n        right: 0;\n        left: auto;\n      }\n    }\n  }\n}\n// scss-docs-end responsive-breakpoints\n\n// Allow for dropdowns to go bottom up (aka, dropup-menu)\n// Just add .dropup after the standard .dropdown class and you're set.\n.dropup {\n  .dropdown-menu[data-bs-popper] {\n    top: auto;\n    bottom: 100%;\n    margin-top: 0;\n    margin-bottom: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(up);\n  }\n}\n\n.dropend {\n  .dropdown-menu[data-bs-popper] {\n    top: 0;\n    right: auto;\n    left: 100%;\n    margin-top: 0;\n    margin-left: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(end);\n    &::after {\n      vertical-align: 0;\n    }\n  }\n}\n\n.dropstart {\n  .dropdown-menu[data-bs-popper] {\n    top: 0;\n    right: 100%;\n    left: auto;\n    margin-top: 0;\n    margin-right: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(start);\n    &::before {\n      vertical-align: 0;\n    }\n  }\n}\n\n\n// Dividers (basically an `<hr>`) within the dropdown\n.dropdown-divider {\n  height: 0;\n  margin: var(--#{$prefix}dropdown-divider-margin-y) 0;\n  overflow: hidden;\n  border-top: 1px solid var(--#{$prefix}dropdown-divider-bg);\n  opacity: 1; // Revisit in v6 to de-dupe styles that conflict with <hr> element\n}\n\n// Links, buttons, and more within the dropdown menu\n//\n// `<button>`-specific styles are denoted with `// For <button>s`\n.dropdown-item {\n  display: block;\n  width: 100%; // For `<button>`s\n  padding: var(--#{$prefix}dropdown-item-padding-y) var(--#{$prefix}dropdown-item-padding-x);\n  clear: both;\n  font-weight: $font-weight-normal;\n  color: var(--#{$prefix}dropdown-link-color);\n  text-align: inherit; // For `<button>`s\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: nowrap; // prevent links from randomly breaking onto new lines\n  background-color: transparent; // For `<button>`s\n  border: 0; // For `<button>`s\n  @include border-radius(var(--#{$prefix}dropdown-item-border-radius, 0));\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}dropdown-link-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    @include gradient-bg(var(--#{$prefix}dropdown-link-hover-bg));\n  }\n\n  &.active,\n  &:active {\n    color: var(--#{$prefix}dropdown-link-active-color);\n    text-decoration: none;\n    @include gradient-bg(var(--#{$prefix}dropdown-link-active-bg));\n  }\n\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}dropdown-link-disabled-color);\n    pointer-events: none;\n    background-color: transparent;\n    // Remove CSS gradients if they're enabled\n    background-image: if($enable-gradients, none, null);\n  }\n}\n\n.dropdown-menu.show {\n  display: block;\n}\n\n// Dropdown section headers\n.dropdown-header {\n  display: block;\n  padding: var(--#{$prefix}dropdown-header-padding-y) var(--#{$prefix}dropdown-header-padding-x);\n  margin-bottom: 0; // for use with heading elements\n  @include font-size($font-size-sm);\n  color: var(--#{$prefix}dropdown-header-color);\n  white-space: nowrap; // as with > li > a\n}\n\n// Dropdown text\n.dropdown-item-text {\n  display: block;\n  padding: var(--#{$prefix}dropdown-item-padding-y) var(--#{$prefix}dropdown-item-padding-x);\n  color: var(--#{$prefix}dropdown-link-color);\n}\n\n// Dark dropdowns\n.dropdown-menu-dark {\n  // scss-docs-start dropdown-dark-css-vars\n  --#{$prefix}dropdown-color: #{$dropdown-dark-color};\n  --#{$prefix}dropdown-bg: #{$dropdown-dark-bg};\n  --#{$prefix}dropdown-border-color: #{$dropdown-dark-border-color};\n  --#{$prefix}dropdown-box-shadow: #{$dropdown-dark-box-shadow};\n  --#{$prefix}dropdown-link-color: #{$dropdown-dark-link-color};\n  --#{$prefix}dropdown-link-hover-color: #{$dropdown-dark-link-hover-color};\n  --#{$prefix}dropdown-divider-bg: #{$dropdown-dark-divider-bg};\n  --#{$prefix}dropdown-link-hover-bg: #{$dropdown-dark-link-hover-bg};\n  --#{$prefix}dropdown-link-active-color: #{$dropdown-dark-link-active-color};\n  --#{$prefix}dropdown-link-active-bg: #{$dropdown-dark-link-active-bg};\n  --#{$prefix}dropdown-link-disabled-color: #{$dropdown-dark-link-disabled-color};\n  --#{$prefix}dropdown-header-color: #{$dropdown-dark-header-color};\n  // scss-docs-end dropdown-dark-css-vars\n}\n","// scss-docs-start caret-mixins\n@mixin caret-down($width: $caret-width) {\n  border-top: $width solid;\n  border-right: $width solid transparent;\n  border-bottom: 0;\n  border-left: $width solid transparent;\n}\n\n@mixin caret-up($width: $caret-width) {\n  border-top: 0;\n  border-right: $width solid transparent;\n  border-bottom: $width solid;\n  border-left: $width solid transparent;\n}\n\n@mixin caret-end($width: $caret-width) {\n  border-top: $width solid transparent;\n  border-right: 0;\n  border-bottom: $width solid transparent;\n  border-left: $width solid;\n}\n\n@mixin caret-start($width: $caret-width) {\n  border-top: $width solid transparent;\n  border-right: $width solid;\n  border-bottom: $width solid transparent;\n}\n\n@mixin caret(\n  $direction: down,\n  $width: $caret-width,\n  $spacing: $caret-spacing,\n  $vertical-align: $caret-vertical-align\n) {\n  @if $enable-caret {\n    &::after {\n      display: inline-block;\n      margin-left: $spacing;\n      vertical-align: $vertical-align;\n      content: \"\";\n      @if $direction == down {\n        @include caret-down($width);\n      } @else if $direction == up {\n        @include caret-up($width);\n      } @else if $direction == end {\n        @include caret-end($width);\n      }\n    }\n\n    @if $direction == start {\n      &::after {\n        display: none;\n      }\n\n      &::before {\n        display: inline-block;\n        margin-right: $spacing;\n        vertical-align: $vertical-align;\n        content: \"\";\n        @include caret-start($width);\n      }\n    }\n\n    &:empty::after {\n      margin-left: 0;\n    }\n  }\n}\n// scss-docs-end caret-mixins\n","// Make the div behave like a button\n.btn-group,\n.btn-group-vertical {\n  position: relative;\n  display: inline-flex;\n  vertical-align: middle; // match .btn alignment given font-size hack above\n\n  > .btn {\n    position: relative;\n    flex: 1 1 auto;\n  }\n\n  // Bring the hover, focused, and \"active\" buttons to the front to overlay\n  // the borders properly\n  > .btn-check:checked + .btn,\n  > .btn-check:focus + .btn,\n  > .btn:hover,\n  > .btn:focus,\n  > .btn:active,\n  > .btn.active {\n    z-index: 1;\n  }\n}\n\n// Optional: Group multiple button groups together for a toolbar\n.btn-toolbar {\n  display: flex;\n  flex-wrap: wrap;\n  justify-content: flex-start;\n\n  .input-group {\n    width: auto;\n  }\n}\n\n.btn-group {\n  @include border-radius($btn-border-radius);\n\n  // Prevent double borders when buttons are next to each other\n  > :not(.btn-check:first-child) + .btn,\n  > .btn-group:not(:first-child) {\n    margin-left: calc(#{$btn-border-width} * -1); // stylelint-disable-line function-disallowed-list\n  }\n\n  // Reset rounded corners\n  > .btn:not(:last-child):not(.dropdown-toggle),\n  > .btn.dropdown-toggle-split:first-child,\n  > .btn-group:not(:last-child) > .btn {\n    @include border-end-radius(0);\n  }\n\n  // The left radius should be 0 if the button is:\n  // - the \"third or more\" child\n  // - the second child and the previous element isn't `.btn-check` (making it the first child visually)\n  // - part of a btn-group which isn't the first child\n  > .btn:nth-child(n + 3),\n  > :not(.btn-check) + .btn,\n  > .btn-group:not(:first-child) > .btn {\n    @include border-start-radius(0);\n  }\n}\n\n// Sizing\n//\n// Remix the default button sizing classes into new ones for easier manipulation.\n\n.btn-group-sm > .btn { @extend .btn-sm; }\n.btn-group-lg > .btn { @extend .btn-lg; }\n\n\n//\n// Split button dropdowns\n//\n\n.dropdown-toggle-split {\n  padding-right: $btn-padding-x * .75;\n  padding-left: $btn-padding-x * .75;\n\n  &::after,\n  .dropup &::after,\n  .dropend &::after {\n    margin-left: 0;\n  }\n\n  .dropstart &::before {\n    margin-right: 0;\n  }\n}\n\n.btn-sm + .dropdown-toggle-split {\n  padding-right: $btn-padding-x-sm * .75;\n  padding-left: $btn-padding-x-sm * .75;\n}\n\n.btn-lg + .dropdown-toggle-split {\n  padding-right: $btn-padding-x-lg * .75;\n  padding-left: $btn-padding-x-lg * .75;\n}\n\n\n// The clickable button for toggling the menu\n// Set the same inset shadow as the :active state\n.btn-group.show .dropdown-toggle {\n  @include box-shadow($btn-active-box-shadow);\n\n  // Show no shadow for `.btn-link` since it has no other button styles.\n  &.btn-link {\n    @include box-shadow(none);\n  }\n}\n\n\n//\n// Vertical button groups\n//\n\n.btn-group-vertical {\n  flex-direction: column;\n  align-items: flex-start;\n  justify-content: center;\n\n  > .btn,\n  > .btn-group {\n    width: 100%;\n  }\n\n  > .btn:not(:first-child),\n  > .btn-group:not(:first-child) {\n    margin-top: calc(#{$btn-border-width} * -1); // stylelint-disable-line function-disallowed-list\n  }\n\n  // Reset rounded corners\n  > .btn:not(:last-child):not(.dropdown-toggle),\n  > .btn-group:not(:last-child) > .btn {\n    @include border-bottom-radius(0);\n  }\n\n  > .btn ~ .btn,\n  > .btn-group:not(:first-child) > .btn {\n    @include border-top-radius(0);\n  }\n}\n","// Base class\n//\n// Kickstart any navigation component with a set of style resets. Works with\n// `<nav>`s, `<ul>`s or `<ol>`s.\n\n.nav {\n  // scss-docs-start nav-css-vars\n  --#{$prefix}nav-link-padding-x: #{$nav-link-padding-x};\n  --#{$prefix}nav-link-padding-y: #{$nav-link-padding-y};\n  @include rfs($nav-link-font-size, --#{$prefix}nav-link-font-size);\n  --#{$prefix}nav-link-font-weight: #{$nav-link-font-weight};\n  --#{$prefix}nav-link-color: #{$nav-link-color};\n  --#{$prefix}nav-link-hover-color: #{$nav-link-hover-color};\n  --#{$prefix}nav-link-disabled-color: #{$nav-link-disabled-color};\n  // scss-docs-end nav-css-vars\n\n  display: flex;\n  flex-wrap: wrap;\n  padding-left: 0;\n  margin-bottom: 0;\n  list-style: none;\n}\n\n.nav-link {\n  display: block;\n  padding: var(--#{$prefix}nav-link-padding-y) var(--#{$prefix}nav-link-padding-x);\n  @include font-size(var(--#{$prefix}nav-link-font-size));\n  font-weight: var(--#{$prefix}nav-link-font-weight);\n  color: var(--#{$prefix}nav-link-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background: none;\n  border: 0;\n  @include transition($nav-link-transition);\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}nav-link-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n\n  &:focus-visible {\n    outline: 0;\n    box-shadow: $nav-link-focus-box-shadow;\n  }\n\n  // Disabled state lightens text\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}nav-link-disabled-color);\n    pointer-events: none;\n    cursor: default;\n  }\n}\n\n//\n// Tabs\n//\n\n.nav-tabs {\n  // scss-docs-start nav-tabs-css-vars\n  --#{$prefix}nav-tabs-border-width: #{$nav-tabs-border-width};\n  --#{$prefix}nav-tabs-border-color: #{$nav-tabs-border-color};\n  --#{$prefix}nav-tabs-border-radius: #{$nav-tabs-border-radius};\n  --#{$prefix}nav-tabs-link-hover-border-color: #{$nav-tabs-link-hover-border-color};\n  --#{$prefix}nav-tabs-link-active-color: #{$nav-tabs-link-active-color};\n  --#{$prefix}nav-tabs-link-active-bg: #{$nav-tabs-link-active-bg};\n  --#{$prefix}nav-tabs-link-active-border-color: #{$nav-tabs-link-active-border-color};\n  // scss-docs-end nav-tabs-css-vars\n\n  border-bottom: var(--#{$prefix}nav-tabs-border-width) solid var(--#{$prefix}nav-tabs-border-color);\n\n  .nav-link {\n    margin-bottom: calc(-1 * var(--#{$prefix}nav-tabs-border-width)); // stylelint-disable-line function-disallowed-list\n    border: var(--#{$prefix}nav-tabs-border-width) solid transparent;\n    @include border-top-radius(var(--#{$prefix}nav-tabs-border-radius));\n\n    &:hover,\n    &:focus {\n      // Prevents active .nav-link tab overlapping focus outline of previous/next .nav-link\n      isolation: isolate;\n      border-color: var(--#{$prefix}nav-tabs-link-hover-border-color);\n    }\n  }\n\n  .nav-link.active,\n  .nav-item.show .nav-link {\n    color: var(--#{$prefix}nav-tabs-link-active-color);\n    background-color: var(--#{$prefix}nav-tabs-link-active-bg);\n    border-color: var(--#{$prefix}nav-tabs-link-active-border-color);\n  }\n\n  .dropdown-menu {\n    // Make dropdown border overlap tab border\n    margin-top: calc(-1 * var(--#{$prefix}nav-tabs-border-width)); // stylelint-disable-line function-disallowed-list\n    // Remove the top rounded corners here since there is a hard edge above the menu\n    @include border-top-radius(0);\n  }\n}\n\n\n//\n// Pills\n//\n\n.nav-pills {\n  // scss-docs-start nav-pills-css-vars\n  --#{$prefix}nav-pills-border-radius: #{$nav-pills-border-radius};\n  --#{$prefix}nav-pills-link-active-color: #{$nav-pills-link-active-color};\n  --#{$prefix}nav-pills-link-active-bg: #{$nav-pills-link-active-bg};\n  // scss-docs-end nav-pills-css-vars\n\n  .nav-link {\n    @include border-radius(var(--#{$prefix}nav-pills-border-radius));\n  }\n\n  .nav-link.active,\n  .show > .nav-link {\n    color: var(--#{$prefix}nav-pills-link-active-color);\n    @include gradient-bg(var(--#{$prefix}nav-pills-link-active-bg));\n  }\n}\n\n\n//\n// Underline\n//\n\n.nav-underline {\n  // scss-docs-start nav-underline-css-vars\n  --#{$prefix}nav-underline-gap: #{$nav-underline-gap};\n  --#{$prefix}nav-underline-border-width: #{$nav-underline-border-width};\n  --#{$prefix}nav-underline-link-active-color: #{$nav-underline-link-active-color};\n  // scss-docs-end nav-underline-css-vars\n\n  gap: var(--#{$prefix}nav-underline-gap);\n\n  .nav-link {\n    padding-right: 0;\n    padding-left: 0;\n    border-bottom: var(--#{$prefix}nav-underline-border-width) solid transparent;\n\n    &:hover,\n    &:focus {\n      border-bottom-color: currentcolor;\n    }\n  }\n\n  .nav-link.active,\n  .show > .nav-link {\n    font-weight: $font-weight-bold;\n    color: var(--#{$prefix}nav-underline-link-active-color);\n    border-bottom-color: currentcolor;\n  }\n}\n\n\n//\n// Justified variants\n//\n\n.nav-fill {\n  > .nav-link,\n  .nav-item {\n    flex: 1 1 auto;\n    text-align: center;\n  }\n}\n\n.nav-justified {\n  > .nav-link,\n  .nav-item {\n    flex-basis: 0;\n    flex-grow: 1;\n    text-align: center;\n  }\n}\n\n.nav-fill,\n.nav-justified {\n  .nav-item .nav-link {\n    width: 100%; // Make sure button will grow\n  }\n}\n\n\n// Tabbable tabs\n//\n// Hide tabbable panes to start, show them when `.active`\n\n.tab-content {\n  > .tab-pane {\n    display: none;\n  }\n  > .active {\n    display: block;\n  }\n}\n","// Navbar\n//\n// Provide a static navbar from which we expand to create full-width, fixed, and\n// other navbar variations.\n\n.navbar {\n  // scss-docs-start navbar-css-vars\n  --#{$prefix}navbar-padding-x: #{if($navbar-padding-x == null, 0, $navbar-padding-x)};\n  --#{$prefix}navbar-padding-y: #{$navbar-padding-y};\n  --#{$prefix}navbar-color: #{$navbar-light-color};\n  --#{$prefix}navbar-hover-color: #{$navbar-light-hover-color};\n  --#{$prefix}navbar-disabled-color: #{$navbar-light-disabled-color};\n  --#{$prefix}navbar-active-color: #{$navbar-light-active-color};\n  --#{$prefix}navbar-brand-padding-y: #{$navbar-brand-padding-y};\n  --#{$prefix}navbar-brand-margin-end: #{$navbar-brand-margin-end};\n  --#{$prefix}navbar-brand-font-size: #{$navbar-brand-font-size};\n  --#{$prefix}navbar-brand-color: #{$navbar-light-brand-color};\n  --#{$prefix}navbar-brand-hover-color: #{$navbar-light-brand-hover-color};\n  --#{$prefix}navbar-nav-link-padding-x: #{$navbar-nav-link-padding-x};\n  --#{$prefix}navbar-toggler-padding-y: #{$navbar-toggler-padding-y};\n  --#{$prefix}navbar-toggler-padding-x: #{$navbar-toggler-padding-x};\n  --#{$prefix}navbar-toggler-font-size: #{$navbar-toggler-font-size};\n  --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-light-toggler-icon-bg)};\n  --#{$prefix}navbar-toggler-border-color: #{$navbar-light-toggler-border-color};\n  --#{$prefix}navbar-toggler-border-radius: #{$navbar-toggler-border-radius};\n  --#{$prefix}navbar-toggler-focus-width: #{$navbar-toggler-focus-width};\n  --#{$prefix}navbar-toggler-transition: #{$navbar-toggler-transition};\n  // scss-docs-end navbar-css-vars\n\n  position: relative;\n  display: flex;\n  flex-wrap: wrap; // allow us to do the line break for collapsing content\n  align-items: center;\n  justify-content: space-between; // space out brand from logo\n  padding: var(--#{$prefix}navbar-padding-y) var(--#{$prefix}navbar-padding-x);\n  @include gradient-bg();\n\n  // Because flex properties aren't inherited, we need to redeclare these first\n  // few properties so that content nested within behave properly.\n  // The `flex-wrap` property is inherited to simplify the expanded navbars\n  %container-flex-properties {\n    display: flex;\n    flex-wrap: inherit;\n    align-items: center;\n    justify-content: space-between;\n  }\n\n  > .container,\n  > .container-fluid {\n    @extend %container-flex-properties;\n  }\n\n  @each $breakpoint, $container-max-width in $container-max-widths {\n    > .container#{breakpoint-infix($breakpoint, $container-max-widths)} {\n      @extend %container-flex-properties;\n    }\n  }\n}\n\n\n// Navbar brand\n//\n// Used for brand, project, or site names.\n\n.navbar-brand {\n  padding-top: var(--#{$prefix}navbar-brand-padding-y);\n  padding-bottom: var(--#{$prefix}navbar-brand-padding-y);\n  margin-right: var(--#{$prefix}navbar-brand-margin-end);\n  @include font-size(var(--#{$prefix}navbar-brand-font-size));\n  color: var(--#{$prefix}navbar-brand-color);\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: nowrap;\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}navbar-brand-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n}\n\n\n// Navbar nav\n//\n// Custom navbar navigation (doesn't require `.nav`, but does make use of `.nav-link`).\n\n.navbar-nav {\n  // scss-docs-start navbar-nav-css-vars\n  --#{$prefix}nav-link-padding-x: 0;\n  --#{$prefix}nav-link-padding-y: #{$nav-link-padding-y};\n  @include rfs($nav-link-font-size, --#{$prefix}nav-link-font-size);\n  --#{$prefix}nav-link-font-weight: #{$nav-link-font-weight};\n  --#{$prefix}nav-link-color: var(--#{$prefix}navbar-color);\n  --#{$prefix}nav-link-hover-color: var(--#{$prefix}navbar-hover-color);\n  --#{$prefix}nav-link-disabled-color: var(--#{$prefix}navbar-disabled-color);\n  // scss-docs-end navbar-nav-css-vars\n\n  display: flex;\n  flex-direction: column; // cannot use `inherit` to get the `.navbar`s value\n  padding-left: 0;\n  margin-bottom: 0;\n  list-style: none;\n\n  .nav-link {\n    &.active,\n    &.show {\n      color: var(--#{$prefix}navbar-active-color);\n    }\n  }\n\n  .dropdown-menu {\n    position: static;\n  }\n}\n\n\n// Navbar text\n//\n//\n\n.navbar-text {\n  padding-top: $nav-link-padding-y;\n  padding-bottom: $nav-link-padding-y;\n  color: var(--#{$prefix}navbar-color);\n\n  a,\n  a:hover,\n  a:focus  {\n    color: var(--#{$prefix}navbar-active-color);\n  }\n}\n\n\n// Responsive navbar\n//\n// Custom styles for responsive collapsing and toggling of navbar contents.\n// Powered by the collapse Bootstrap JavaScript plugin.\n\n// When collapsed, prevent the toggleable navbar contents from appearing in\n// the default flexbox row orientation. Requires the use of `flex-wrap: wrap`\n// on the `.navbar` parent.\n.navbar-collapse {\n  flex-basis: 100%;\n  flex-grow: 1;\n  // For always expanded or extra full navbars, ensure content aligns itself\n  // properly vertically. Can be easily overridden with flex utilities.\n  align-items: center;\n}\n\n// Button for toggling the navbar when in its collapsed state\n.navbar-toggler {\n  padding: var(--#{$prefix}navbar-toggler-padding-y) var(--#{$prefix}navbar-toggler-padding-x);\n  @include font-size(var(--#{$prefix}navbar-toggler-font-size));\n  line-height: 1;\n  color: var(--#{$prefix}navbar-color);\n  background-color: transparent; // remove default button style\n  border: var(--#{$prefix}border-width) solid var(--#{$prefix}navbar-toggler-border-color); // remove default button style\n  @include border-radius(var(--#{$prefix}navbar-toggler-border-radius));\n  @include transition(var(--#{$prefix}navbar-toggler-transition));\n\n  &:hover {\n    text-decoration: none;\n  }\n\n  &:focus {\n    text-decoration: none;\n    outline: 0;\n    box-shadow: 0 0 0 var(--#{$prefix}navbar-toggler-focus-width);\n  }\n}\n\n// Keep as a separate element so folks can easily override it with another icon\n// or image file as needed.\n.navbar-toggler-icon {\n  display: inline-block;\n  width: 1.5em;\n  height: 1.5em;\n  vertical-align: middle;\n  background-image: var(--#{$prefix}navbar-toggler-icon-bg);\n  background-repeat: no-repeat;\n  background-position: center;\n  background-size: 100%;\n}\n\n.navbar-nav-scroll {\n  max-height: var(--#{$prefix}scroll-height, 75vh);\n  overflow-y: auto;\n}\n\n// scss-docs-start navbar-expand-loop\n// Generate series of `.navbar-expand-*` responsive classes for configuring\n// where your navbar collapses.\n.navbar-expand {\n  @each $breakpoint in map-keys($grid-breakpoints) {\n    $next: breakpoint-next($breakpoint, $grid-breakpoints);\n    $infix: breakpoint-infix($next, $grid-breakpoints);\n\n    // stylelint-disable-next-line scss/selector-no-union-class-name\n    &#{$infix} {\n      @include media-breakpoint-up($next) {\n        flex-wrap: nowrap;\n        justify-content: flex-start;\n\n        .navbar-nav {\n          flex-direction: row;\n\n          .dropdown-menu {\n            position: absolute;\n          }\n\n          .nav-link {\n            padding-right: var(--#{$prefix}navbar-nav-link-padding-x);\n            padding-left: var(--#{$prefix}navbar-nav-link-padding-x);\n          }\n        }\n\n        .navbar-nav-scroll {\n          overflow: visible;\n        }\n\n        .navbar-collapse {\n          display: flex !important; // stylelint-disable-line declaration-no-important\n          flex-basis: auto;\n        }\n\n        .navbar-toggler {\n          display: none;\n        }\n\n        .offcanvas {\n          // stylelint-disable declaration-no-important\n          position: static;\n          z-index: auto;\n          flex-grow: 1;\n          width: auto !important;\n          height: auto !important;\n          visibility: visible !important;\n          background-color: transparent !important;\n          border: 0 !important;\n          transform: none !important;\n          @include box-shadow(none);\n          @include transition(none);\n          // stylelint-enable declaration-no-important\n\n          .offcanvas-header {\n            display: none;\n          }\n\n          .offcanvas-body {\n            display: flex;\n            flex-grow: 0;\n            padding: 0;\n            overflow-y: visible;\n          }\n        }\n      }\n    }\n  }\n}\n// scss-docs-end navbar-expand-loop\n\n// Navbar themes\n//\n// Styles for switching between navbars with light or dark background.\n\n.navbar-light {\n  @include deprecate(\"`.navbar-light`\", \"v5.2.0\", \"v6.0.0\", true);\n}\n\n.navbar-dark,\n.navbar[data-bs-theme=\"dark\"] {\n  // scss-docs-start navbar-dark-css-vars\n  --#{$prefix}navbar-color: #{$navbar-dark-color};\n  --#{$prefix}navbar-hover-color: #{$navbar-dark-hover-color};\n  --#{$prefix}navbar-disabled-color: #{$navbar-dark-disabled-color};\n  --#{$prefix}navbar-active-color: #{$navbar-dark-active-color};\n  --#{$prefix}navbar-brand-color: #{$navbar-dark-brand-color};\n  --#{$prefix}navbar-brand-hover-color: #{$navbar-dark-brand-hover-color};\n  --#{$prefix}navbar-toggler-border-color: #{$navbar-dark-toggler-border-color};\n  --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-dark-toggler-icon-bg)};\n  // scss-docs-end navbar-dark-css-vars\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .navbar-toggler-icon {\n      --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-dark-toggler-icon-bg)};\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.card {\n  // scss-docs-start card-css-vars\n  --#{$prefix}card-spacer-y: #{$card-spacer-y};\n  --#{$prefix}card-spacer-x: #{$card-spacer-x};\n  --#{$prefix}card-title-spacer-y: #{$card-title-spacer-y};\n  --#{$prefix}card-title-color: #{$card-title-color};\n  --#{$prefix}card-subtitle-color: #{$card-subtitle-color};\n  --#{$prefix}card-border-width: #{$card-border-width};\n  --#{$prefix}card-border-color: #{$card-border-color};\n  --#{$prefix}card-border-radius: #{$card-border-radius};\n  --#{$prefix}card-box-shadow: #{$card-box-shadow};\n  --#{$prefix}card-inner-border-radius: #{$card-inner-border-radius};\n  --#{$prefix}card-cap-padding-y: #{$card-cap-padding-y};\n  --#{$prefix}card-cap-padding-x: #{$card-cap-padding-x};\n  --#{$prefix}card-cap-bg: #{$card-cap-bg};\n  --#{$prefix}card-cap-color: #{$card-cap-color};\n  --#{$prefix}card-height: #{$card-height};\n  --#{$prefix}card-color: #{$card-color};\n  --#{$prefix}card-bg: #{$card-bg};\n  --#{$prefix}card-img-overlay-padding: #{$card-img-overlay-padding};\n  --#{$prefix}card-group-margin: #{$card-group-margin};\n  // scss-docs-end card-css-vars\n\n  position: relative;\n  display: flex;\n  flex-direction: column;\n  min-width: 0; // See https://github.com/twbs/bootstrap/pull/22740#issuecomment-305868106\n  height: var(--#{$prefix}card-height);\n  color: var(--#{$prefix}body-color);\n  word-wrap: break-word;\n  background-color: var(--#{$prefix}card-bg);\n  background-clip: border-box;\n  border: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n  @include border-radius(var(--#{$prefix}card-border-radius));\n  @include box-shadow(var(--#{$prefix}card-box-shadow));\n\n  > hr {\n    margin-right: 0;\n    margin-left: 0;\n  }\n\n  > .list-group {\n    border-top: inherit;\n    border-bottom: inherit;\n\n    &:first-child {\n      border-top-width: 0;\n      @include border-top-radius(var(--#{$prefix}card-inner-border-radius));\n    }\n\n    &:last-child  {\n      border-bottom-width: 0;\n      @include border-bottom-radius(var(--#{$prefix}card-inner-border-radius));\n    }\n  }\n\n  // Due to specificity of the above selector (`.card > .list-group`), we must\n  // use a child selector here to prevent double borders.\n  > .card-header + .list-group,\n  > .list-group + .card-footer {\n    border-top: 0;\n  }\n}\n\n.card-body {\n  // Enable `flex-grow: 1` for decks and groups so that card blocks take up\n  // as much space as possible, ensuring footers are aligned to the bottom.\n  flex: 1 1 auto;\n  padding: var(--#{$prefix}card-spacer-y) var(--#{$prefix}card-spacer-x);\n  color: var(--#{$prefix}card-color);\n}\n\n.card-title {\n  margin-bottom: var(--#{$prefix}card-title-spacer-y);\n  color: var(--#{$prefix}card-title-color);\n}\n\n.card-subtitle {\n  margin-top: calc(-.5 * var(--#{$prefix}card-title-spacer-y)); // stylelint-disable-line function-disallowed-list\n  margin-bottom: 0;\n  color: var(--#{$prefix}card-subtitle-color);\n}\n\n.card-text:last-child {\n  margin-bottom: 0;\n}\n\n.card-link {\n  &:hover {\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n\n  + .card-link {\n    margin-left: var(--#{$prefix}card-spacer-x);\n  }\n}\n\n//\n// Optional textual caps\n//\n\n.card-header {\n  padding: var(--#{$prefix}card-cap-padding-y) var(--#{$prefix}card-cap-padding-x);\n  margin-bottom: 0; // Removes the default margin-bottom of <hN>\n  color: var(--#{$prefix}card-cap-color);\n  background-color: var(--#{$prefix}card-cap-bg);\n  border-bottom: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n\n  &:first-child {\n    @include border-radius(var(--#{$prefix}card-inner-border-radius) var(--#{$prefix}card-inner-border-radius) 0 0);\n  }\n}\n\n.card-footer {\n  padding: var(--#{$prefix}card-cap-padding-y) var(--#{$prefix}card-cap-padding-x);\n  color: var(--#{$prefix}card-cap-color);\n  background-color: var(--#{$prefix}card-cap-bg);\n  border-top: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n\n  &:last-child {\n    @include border-radius(0 0 var(--#{$prefix}card-inner-border-radius) var(--#{$prefix}card-inner-border-radius));\n  }\n}\n\n\n//\n// Header navs\n//\n\n.card-header-tabs {\n  margin-right: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  margin-bottom: calc(-1 * var(--#{$prefix}card-cap-padding-y)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  border-bottom: 0;\n\n  .nav-link.active {\n    background-color: var(--#{$prefix}card-bg);\n    border-bottom-color: var(--#{$prefix}card-bg);\n  }\n}\n\n.card-header-pills {\n  margin-right: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n}\n\n// Card image\n.card-img-overlay {\n  position: absolute;\n  top: 0;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  padding: var(--#{$prefix}card-img-overlay-padding);\n  @include border-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n.card-img,\n.card-img-top,\n.card-img-bottom {\n  width: 100%; // Required because we use flexbox and this inherently applies align-self: stretch\n}\n\n.card-img,\n.card-img-top {\n  @include border-top-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n.card-img,\n.card-img-bottom {\n  @include border-bottom-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n\n//\n// Card groups\n//\n\n.card-group {\n  // The child selector allows nested `.card` within `.card-group`\n  // to display properly.\n  > .card {\n    margin-bottom: var(--#{$prefix}card-group-margin);\n  }\n\n  @include media-breakpoint-up(sm) {\n    display: flex;\n    flex-flow: row wrap;\n    // The child selector allows nested `.card` within `.card-group`\n    // to display properly.\n    > .card {\n      // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      flex: 1 0 0%;\n      margin-bottom: 0;\n\n      + .card {\n        margin-left: 0;\n        border-left: 0;\n      }\n\n      // Handle rounded corners\n      @if $enable-rounded {\n        &:not(:last-child) {\n          @include border-end-radius(0);\n\n          .card-img-top,\n          .card-header {\n            // stylelint-disable-next-line property-disallowed-list\n            border-top-right-radius: 0;\n          }\n          .card-img-bottom,\n          .card-footer {\n            // stylelint-disable-next-line property-disallowed-list\n            border-bottom-right-radius: 0;\n          }\n        }\n\n        &:not(:first-child) {\n          @include border-start-radius(0);\n\n          .card-img-top,\n          .card-header {\n            // stylelint-disable-next-line property-disallowed-list\n            border-top-left-radius: 0;\n          }\n          .card-img-bottom,\n          .card-footer {\n            // stylelint-disable-next-line property-disallowed-list\n            border-bottom-left-radius: 0;\n          }\n        }\n      }\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.accordion {\n  // scss-docs-start accordion-css-vars\n  --#{$prefix}accordion-color: #{$accordion-color};\n  --#{$prefix}accordion-bg: #{$accordion-bg};\n  --#{$prefix}accordion-transition: #{$accordion-transition};\n  --#{$prefix}accordion-border-color: #{$accordion-border-color};\n  --#{$prefix}accordion-border-width: #{$accordion-border-width};\n  --#{$prefix}accordion-border-radius: #{$accordion-border-radius};\n  --#{$prefix}accordion-inner-border-radius: #{$accordion-inner-border-radius};\n  --#{$prefix}accordion-btn-padding-x: #{$accordion-button-padding-x};\n  --#{$prefix}accordion-btn-padding-y: #{$accordion-button-padding-y};\n  --#{$prefix}accordion-btn-color: #{$accordion-button-color};\n  --#{$prefix}accordion-btn-bg: #{$accordion-button-bg};\n  --#{$prefix}accordion-btn-icon: #{escape-svg($accordion-button-icon)};\n  --#{$prefix}accordion-btn-icon-width: #{$accordion-icon-width};\n  --#{$prefix}accordion-btn-icon-transform: #{$accordion-icon-transform};\n  --#{$prefix}accordion-btn-icon-transition: #{$accordion-icon-transition};\n  --#{$prefix}accordion-btn-active-icon: #{escape-svg($accordion-button-active-icon)};\n  --#{$prefix}accordion-btn-focus-border-color: #{$accordion-button-focus-border-color};\n  --#{$prefix}accordion-btn-focus-box-shadow: #{$accordion-button-focus-box-shadow};\n  --#{$prefix}accordion-body-padding-x: #{$accordion-body-padding-x};\n  --#{$prefix}accordion-body-padding-y: #{$accordion-body-padding-y};\n  --#{$prefix}accordion-active-color: #{$accordion-button-active-color};\n  --#{$prefix}accordion-active-bg: #{$accordion-button-active-bg};\n  // scss-docs-end accordion-css-vars\n}\n\n.accordion-button {\n  position: relative;\n  display: flex;\n  align-items: center;\n  width: 100%;\n  padding: var(--#{$prefix}accordion-btn-padding-y) var(--#{$prefix}accordion-btn-padding-x);\n  @include font-size($font-size-base);\n  color: var(--#{$prefix}accordion-btn-color);\n  text-align: left; // Reset button style\n  background-color: var(--#{$prefix}accordion-btn-bg);\n  border: 0;\n  @include border-radius(0);\n  overflow-anchor: none;\n  @include transition(var(--#{$prefix}accordion-transition));\n\n  &:not(.collapsed) {\n    color: var(--#{$prefix}accordion-active-color);\n    background-color: var(--#{$prefix}accordion-active-bg);\n    box-shadow: inset 0 calc(-1 * var(--#{$prefix}accordion-border-width)) 0 var(--#{$prefix}accordion-border-color); // stylelint-disable-line function-disallowed-list\n\n    &::after {\n      background-image: var(--#{$prefix}accordion-btn-active-icon);\n      transform: var(--#{$prefix}accordion-btn-icon-transform);\n    }\n  }\n\n  // Accordion icon\n  &::after {\n    flex-shrink: 0;\n    width: var(--#{$prefix}accordion-btn-icon-width);\n    height: var(--#{$prefix}accordion-btn-icon-width);\n    margin-left: auto;\n    content: \"\";\n    background-image: var(--#{$prefix}accordion-btn-icon);\n    background-repeat: no-repeat;\n    background-size: var(--#{$prefix}accordion-btn-icon-width);\n    @include transition(var(--#{$prefix}accordion-btn-icon-transition));\n  }\n\n  &:hover {\n    z-index: 2;\n  }\n\n  &:focus {\n    z-index: 3;\n    border-color: var(--#{$prefix}accordion-btn-focus-border-color);\n    outline: 0;\n    box-shadow: var(--#{$prefix}accordion-btn-focus-box-shadow);\n  }\n}\n\n.accordion-header {\n  margin-bottom: 0;\n}\n\n.accordion-item {\n  color: var(--#{$prefix}accordion-color);\n  background-color: var(--#{$prefix}accordion-bg);\n  border: var(--#{$prefix}accordion-border-width) solid var(--#{$prefix}accordion-border-color);\n\n  &:first-of-type {\n    @include border-top-radius(var(--#{$prefix}accordion-border-radius));\n\n    .accordion-button {\n      @include border-top-radius(var(--#{$prefix}accordion-inner-border-radius));\n    }\n  }\n\n  &:not(:first-of-type) {\n    border-top: 0;\n  }\n\n  // Only set a border-radius on the last item if the accordion is collapsed\n  &:last-of-type {\n    @include border-bottom-radius(var(--#{$prefix}accordion-border-radius));\n\n    .accordion-button {\n      &.collapsed {\n        @include border-bottom-radius(var(--#{$prefix}accordion-inner-border-radius));\n      }\n    }\n\n    .accordion-collapse {\n      @include border-bottom-radius(var(--#{$prefix}accordion-border-radius));\n    }\n  }\n}\n\n.accordion-body {\n  padding: var(--#{$prefix}accordion-body-padding-y) var(--#{$prefix}accordion-body-padding-x);\n}\n\n\n// Flush accordion items\n//\n// Remove borders and border-radius to keep accordion items edge-to-edge.\n\n.accordion-flush {\n  .accordion-collapse {\n    border-width: 0;\n  }\n\n  .accordion-item {\n    border-right: 0;\n    border-left: 0;\n    @include border-radius(0);\n\n    &:first-child { border-top: 0; }\n    &:last-child { border-bottom: 0; }\n\n    .accordion-button {\n      &,\n      &.collapsed {\n        @include border-radius(0);\n      }\n    }\n  }\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .accordion-button::after {\n      --#{$prefix}accordion-btn-icon: #{escape-svg($accordion-button-icon-dark)};\n      --#{$prefix}accordion-btn-active-icon: #{escape-svg($accordion-button-active-icon-dark)};\n    }\n  }\n}\n",".breadcrumb {\n  // scss-docs-start breadcrumb-css-vars\n  --#{$prefix}breadcrumb-padding-x: #{$breadcrumb-padding-x};\n  --#{$prefix}breadcrumb-padding-y: #{$breadcrumb-padding-y};\n  --#{$prefix}breadcrumb-margin-bottom: #{$breadcrumb-margin-bottom};\n  @include rfs($breadcrumb-font-size, --#{$prefix}breadcrumb-font-size);\n  --#{$prefix}breadcrumb-bg: #{$breadcrumb-bg};\n  --#{$prefix}breadcrumb-border-radius: #{$breadcrumb-border-radius};\n  --#{$prefix}breadcrumb-divider-color: #{$breadcrumb-divider-color};\n  --#{$prefix}breadcrumb-item-padding-x: #{$breadcrumb-item-padding-x};\n  --#{$prefix}breadcrumb-item-active-color: #{$breadcrumb-active-color};\n  // scss-docs-end breadcrumb-css-vars\n\n  display: flex;\n  flex-wrap: wrap;\n  padding: var(--#{$prefix}breadcrumb-padding-y) var(--#{$prefix}breadcrumb-padding-x);\n  margin-bottom: var(--#{$prefix}breadcrumb-margin-bottom);\n  @include font-size(var(--#{$prefix}breadcrumb-font-size));\n  list-style: none;\n  background-color: var(--#{$prefix}breadcrumb-bg);\n  @include border-radius(var(--#{$prefix}breadcrumb-border-radius));\n}\n\n.breadcrumb-item {\n  // The separator between breadcrumbs (by default, a forward-slash: \"/\")\n  + .breadcrumb-item {\n    padding-left: var(--#{$prefix}breadcrumb-item-padding-x);\n\n    &::before {\n      float: left; // Suppress inline spacings and underlining of the separator\n      padding-right: var(--#{$prefix}breadcrumb-item-padding-x);\n      color: var(--#{$prefix}breadcrumb-divider-color);\n      content: var(--#{$prefix}breadcrumb-divider, escape-svg($breadcrumb-divider)) #{\"/* rtl:\"} var(--#{$prefix}breadcrumb-divider, escape-svg($breadcrumb-divider-flipped)) #{\"*/\"};\n    }\n  }\n\n  &.active {\n    color: var(--#{$prefix}breadcrumb-item-active-color);\n  }\n}\n",".pagination {\n  // scss-docs-start pagination-css-vars\n  --#{$prefix}pagination-padding-x: #{$pagination-padding-x};\n  --#{$prefix}pagination-padding-y: #{$pagination-padding-y};\n  @include rfs($pagination-font-size, --#{$prefix}pagination-font-size);\n  --#{$prefix}pagination-color: #{$pagination-color};\n  --#{$prefix}pagination-bg: #{$pagination-bg};\n  --#{$prefix}pagination-border-width: #{$pagination-border-width};\n  --#{$prefix}pagination-border-color: #{$pagination-border-color};\n  --#{$prefix}pagination-border-radius: #{$pagination-border-radius};\n  --#{$prefix}pagination-hover-color: #{$pagination-hover-color};\n  --#{$prefix}pagination-hover-bg: #{$pagination-hover-bg};\n  --#{$prefix}pagination-hover-border-color: #{$pagination-hover-border-color};\n  --#{$prefix}pagination-focus-color: #{$pagination-focus-color};\n  --#{$prefix}pagination-focus-bg: #{$pagination-focus-bg};\n  --#{$prefix}pagination-focus-box-shadow: #{$pagination-focus-box-shadow};\n  --#{$prefix}pagination-active-color: #{$pagination-active-color};\n  --#{$prefix}pagination-active-bg: #{$pagination-active-bg};\n  --#{$prefix}pagination-active-border-color: #{$pagination-active-border-color};\n  --#{$prefix}pagination-disabled-color: #{$pagination-disabled-color};\n  --#{$prefix}pagination-disabled-bg: #{$pagination-disabled-bg};\n  --#{$prefix}pagination-disabled-border-color: #{$pagination-disabled-border-color};\n  // scss-docs-end pagination-css-vars\n\n  display: flex;\n  @include list-unstyled();\n}\n\n.page-link {\n  position: relative;\n  display: block;\n  padding: var(--#{$prefix}pagination-padding-y) var(--#{$prefix}pagination-padding-x);\n  @include font-size(var(--#{$prefix}pagination-font-size));\n  color: var(--#{$prefix}pagination-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background-color: var(--#{$prefix}pagination-bg);\n  border: var(--#{$prefix}pagination-border-width) solid var(--#{$prefix}pagination-border-color);\n  @include transition($pagination-transition);\n\n  &:hover {\n    z-index: 2;\n    color: var(--#{$prefix}pagination-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    background-color: var(--#{$prefix}pagination-hover-bg);\n    border-color: var(--#{$prefix}pagination-hover-border-color);\n  }\n\n  &:focus {\n    z-index: 3;\n    color: var(--#{$prefix}pagination-focus-color);\n    background-color: var(--#{$prefix}pagination-focus-bg);\n    outline: $pagination-focus-outline;\n    box-shadow: var(--#{$prefix}pagination-focus-box-shadow);\n  }\n\n  &.active,\n  .active > & {\n    z-index: 3;\n    color: var(--#{$prefix}pagination-active-color);\n    @include gradient-bg(var(--#{$prefix}pagination-active-bg));\n    border-color: var(--#{$prefix}pagination-active-border-color);\n  }\n\n  &.disabled,\n  .disabled > & {\n    color: var(--#{$prefix}pagination-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}pagination-disabled-bg);\n    border-color: var(--#{$prefix}pagination-disabled-border-color);\n  }\n}\n\n.page-item {\n  &:not(:first-child) .page-link {\n    margin-left: $pagination-margin-start;\n  }\n\n  @if $pagination-margin-start == calc(#{$pagination-border-width} * -1) {\n    &:first-child {\n      .page-link {\n        @include border-start-radius(var(--#{$prefix}pagination-border-radius));\n      }\n    }\n\n    &:last-child {\n      .page-link {\n        @include border-end-radius(var(--#{$prefix}pagination-border-radius));\n      }\n    }\n  } @else {\n    // Add border-radius to all pageLinks in case they have left margin\n    .page-link {\n      @include border-radius(var(--#{$prefix}pagination-border-radius));\n    }\n  }\n}\n\n\n//\n// Sizing\n//\n\n.pagination-lg {\n  @include pagination-size($pagination-padding-y-lg, $pagination-padding-x-lg, $font-size-lg, $pagination-border-radius-lg);\n}\n\n.pagination-sm {\n  @include pagination-size($pagination-padding-y-sm, $pagination-padding-x-sm, $font-size-sm, $pagination-border-radius-sm);\n}\n","// Pagination\n\n// scss-docs-start pagination-mixin\n@mixin pagination-size($padding-y, $padding-x, $font-size, $border-radius) {\n  --#{$prefix}pagination-padding-x: #{$padding-x};\n  --#{$prefix}pagination-padding-y: #{$padding-y};\n  @include rfs($font-size, --#{$prefix}pagination-font-size);\n  --#{$prefix}pagination-border-radius: #{$border-radius};\n}\n// scss-docs-end pagination-mixin\n","// Base class\n//\n// Requires one of the contextual, color modifier classes for `color` and\n// `background-color`.\n\n.badge {\n  // scss-docs-start badge-css-vars\n  --#{$prefix}badge-padding-x: #{$badge-padding-x};\n  --#{$prefix}badge-padding-y: #{$badge-padding-y};\n  @include rfs($badge-font-size, --#{$prefix}badge-font-size);\n  --#{$prefix}badge-font-weight: #{$badge-font-weight};\n  --#{$prefix}badge-color: #{$badge-color};\n  --#{$prefix}badge-border-radius: #{$badge-border-radius};\n  // scss-docs-end badge-css-vars\n\n  display: inline-block;\n  padding: var(--#{$prefix}badge-padding-y) var(--#{$prefix}badge-padding-x);\n  @include font-size(var(--#{$prefix}badge-font-size));\n  font-weight: var(--#{$prefix}badge-font-weight);\n  line-height: 1;\n  color: var(--#{$prefix}badge-color);\n  text-align: center;\n  white-space: nowrap;\n  vertical-align: baseline;\n  @include border-radius(var(--#{$prefix}badge-border-radius));\n  @include gradient-bg();\n\n  // Empty badges collapse automatically\n  &:empty {\n    display: none;\n  }\n}\n\n// Quick fix for badges in buttons\n.btn .badge {\n  position: relative;\n  top: -1px;\n}\n","//\n// Base styles\n//\n\n.alert {\n  // scss-docs-start alert-css-vars\n  --#{$prefix}alert-bg: transparent;\n  --#{$prefix}alert-padding-x: #{$alert-padding-x};\n  --#{$prefix}alert-padding-y: #{$alert-padding-y};\n  --#{$prefix}alert-margin-bottom: #{$alert-margin-bottom};\n  --#{$prefix}alert-color: inherit;\n  --#{$prefix}alert-border-color: transparent;\n  --#{$prefix}alert-border: #{$alert-border-width} solid var(--#{$prefix}alert-border-color);\n  --#{$prefix}alert-border-radius: #{$alert-border-radius};\n  --#{$prefix}alert-link-color: inherit;\n  // scss-docs-end alert-css-vars\n\n  position: relative;\n  padding: var(--#{$prefix}alert-padding-y) var(--#{$prefix}alert-padding-x);\n  margin-bottom: var(--#{$prefix}alert-margin-bottom);\n  color: var(--#{$prefix}alert-color);\n  background-color: var(--#{$prefix}alert-bg);\n  border: var(--#{$prefix}alert-border);\n  @include border-radius(var(--#{$prefix}alert-border-radius));\n}\n\n// Headings for larger alerts\n.alert-heading {\n  // Specified to prevent conflicts of changing $headings-color\n  color: inherit;\n}\n\n// Provide class for links that match alerts\n.alert-link {\n  font-weight: $alert-link-font-weight;\n  color: var(--#{$prefix}alert-link-color);\n}\n\n\n// Dismissible alerts\n//\n// Expand the right padding and account for the close button's positioning.\n\n.alert-dismissible {\n  padding-right: $alert-dismissible-padding-r;\n\n  // Adjust close link position\n  .btn-close {\n    position: absolute;\n    top: 0;\n    right: 0;\n    z-index: $stretched-link-z-index + 1;\n    padding: $alert-padding-y * 1.25 $alert-padding-x;\n  }\n}\n\n\n// scss-docs-start alert-modifiers\n// Generate contextual modifier classes for colorizing the alert\n@each $state in map-keys($theme-colors) {\n  .alert-#{$state} {\n    --#{$prefix}alert-color: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}alert-bg: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}alert-border-color: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}alert-link-color: var(--#{$prefix}#{$state}-text-emphasis);\n  }\n}\n// scss-docs-end alert-modifiers\n","// Disable animation if transitions are disabled\n\n// scss-docs-start progress-keyframes\n@if $enable-transitions {\n  @keyframes progress-bar-stripes {\n    0% { background-position-x: $progress-height; }\n  }\n}\n// scss-docs-end progress-keyframes\n\n.progress,\n.progress-stacked {\n  // scss-docs-start progress-css-vars\n  --#{$prefix}progress-height: #{$progress-height};\n  @include rfs($progress-font-size, --#{$prefix}progress-font-size);\n  --#{$prefix}progress-bg: #{$progress-bg};\n  --#{$prefix}progress-border-radius: #{$progress-border-radius};\n  --#{$prefix}progress-box-shadow: #{$progress-box-shadow};\n  --#{$prefix}progress-bar-color: #{$progress-bar-color};\n  --#{$prefix}progress-bar-bg: #{$progress-bar-bg};\n  --#{$prefix}progress-bar-transition: #{$progress-bar-transition};\n  // scss-docs-end progress-css-vars\n\n  display: flex;\n  height: var(--#{$prefix}progress-height);\n  overflow: hidden; // force rounded corners by cropping it\n  @include font-size(var(--#{$prefix}progress-font-size));\n  background-color: var(--#{$prefix}progress-bg);\n  @include border-radius(var(--#{$prefix}progress-border-radius));\n  @include box-shadow(var(--#{$prefix}progress-box-shadow));\n}\n\n.progress-bar {\n  display: flex;\n  flex-direction: column;\n  justify-content: center;\n  overflow: hidden;\n  color: var(--#{$prefix}progress-bar-color);\n  text-align: center;\n  white-space: nowrap;\n  background-color: var(--#{$prefix}progress-bar-bg);\n  @include transition(var(--#{$prefix}progress-bar-transition));\n}\n\n.progress-bar-striped {\n  @include gradient-striped();\n  background-size: var(--#{$prefix}progress-height) var(--#{$prefix}progress-height);\n}\n\n.progress-stacked > .progress {\n  overflow: visible;\n}\n\n.progress-stacked > .progress > .progress-bar {\n  width: 100%;\n}\n\n@if $enable-transitions {\n  .progress-bar-animated {\n    animation: $progress-bar-animation-timing progress-bar-stripes;\n\n    @if $enable-reduced-motion {\n      @media (prefers-reduced-motion: reduce) {\n        animation: none;\n      }\n    }\n  }\n}\n","// Base class\n//\n// Easily usable on <ul>, <ol>, or <div>.\n\n.list-group {\n  // scss-docs-start list-group-css-vars\n  --#{$prefix}list-group-color: #{$list-group-color};\n  --#{$prefix}list-group-bg: #{$list-group-bg};\n  --#{$prefix}list-group-border-color: #{$list-group-border-color};\n  --#{$prefix}list-group-border-width: #{$list-group-border-width};\n  --#{$prefix}list-group-border-radius: #{$list-group-border-radius};\n  --#{$prefix}list-group-item-padding-x: #{$list-group-item-padding-x};\n  --#{$prefix}list-group-item-padding-y: #{$list-group-item-padding-y};\n  --#{$prefix}list-group-action-color: #{$list-group-action-color};\n  --#{$prefix}list-group-action-hover-color: #{$list-group-action-hover-color};\n  --#{$prefix}list-group-action-hover-bg: #{$list-group-hover-bg};\n  --#{$prefix}list-group-action-active-color: #{$list-group-action-active-color};\n  --#{$prefix}list-group-action-active-bg: #{$list-group-action-active-bg};\n  --#{$prefix}list-group-disabled-color: #{$list-group-disabled-color};\n  --#{$prefix}list-group-disabled-bg: #{$list-group-disabled-bg};\n  --#{$prefix}list-group-active-color: #{$list-group-active-color};\n  --#{$prefix}list-group-active-bg: #{$list-group-active-bg};\n  --#{$prefix}list-group-active-border-color: #{$list-group-active-border-color};\n  // scss-docs-end list-group-css-vars\n\n  display: flex;\n  flex-direction: column;\n\n  // No need to set list-style: none; since .list-group-item is block level\n  padding-left: 0; // reset padding because ul and ol\n  margin-bottom: 0;\n  @include border-radius(var(--#{$prefix}list-group-border-radius));\n}\n\n.list-group-numbered {\n  list-style-type: none;\n  counter-reset: section;\n\n  > .list-group-item::before {\n    // Increments only this instance of the section counter\n    content: counters(section, \".\") \". \";\n    counter-increment: section;\n  }\n}\n\n// Interactive list items\n//\n// Use anchor or button elements instead of `li`s or `div`s to create interactive\n// list items. Includes an extra `.active` modifier class for selected items.\n\n.list-group-item-action {\n  width: 100%; // For `<button>`s (anchors become 100% by default though)\n  color: var(--#{$prefix}list-group-action-color);\n  text-align: inherit; // For `<button>`s (anchors inherit)\n\n  // Hover state\n  &:hover,\n  &:focus {\n    z-index: 1; // Place hover/focus items above their siblings for proper border styling\n    color: var(--#{$prefix}list-group-action-hover-color);\n    text-decoration: none;\n    background-color: var(--#{$prefix}list-group-action-hover-bg);\n  }\n\n  &:active {\n    color: var(--#{$prefix}list-group-action-active-color);\n    background-color: var(--#{$prefix}list-group-action-active-bg);\n  }\n}\n\n// Individual list items\n//\n// Use on `li`s or `div`s within the `.list-group` parent.\n\n.list-group-item {\n  position: relative;\n  display: block;\n  padding: var(--#{$prefix}list-group-item-padding-y) var(--#{$prefix}list-group-item-padding-x);\n  color: var(--#{$prefix}list-group-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background-color: var(--#{$prefix}list-group-bg);\n  border: var(--#{$prefix}list-group-border-width) solid var(--#{$prefix}list-group-border-color);\n\n  &:first-child {\n    @include border-top-radius(inherit);\n  }\n\n  &:last-child {\n    @include border-bottom-radius(inherit);\n  }\n\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}list-group-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}list-group-disabled-bg);\n  }\n\n  // Include both here for `<a>`s and `<button>`s\n  &.active {\n    z-index: 2; // Place active items above their siblings for proper border styling\n    color: var(--#{$prefix}list-group-active-color);\n    background-color: var(--#{$prefix}list-group-active-bg);\n    border-color: var(--#{$prefix}list-group-active-border-color);\n  }\n\n  // stylelint-disable-next-line scss/selector-no-redundant-nesting-selector\n  & + .list-group-item {\n    border-top-width: 0;\n\n    &.active {\n      margin-top: calc(-1 * var(--#{$prefix}list-group-border-width)); // stylelint-disable-line function-disallowed-list\n      border-top-width: var(--#{$prefix}list-group-border-width);\n    }\n  }\n}\n\n// Horizontal\n//\n// Change the layout of list group items from vertical (default) to horizontal.\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .list-group-horizontal#{$infix} {\n      flex-direction: row;\n\n      > .list-group-item {\n        &:first-child:not(:last-child) {\n          @include border-bottom-start-radius(var(--#{$prefix}list-group-border-radius));\n          @include border-top-end-radius(0);\n        }\n\n        &:last-child:not(:first-child) {\n          @include border-top-end-radius(var(--#{$prefix}list-group-border-radius));\n          @include border-bottom-start-radius(0);\n        }\n\n        &.active {\n          margin-top: 0;\n        }\n\n        + .list-group-item {\n          border-top-width: var(--#{$prefix}list-group-border-width);\n          border-left-width: 0;\n\n          &.active {\n            margin-left: calc(-1 * var(--#{$prefix}list-group-border-width)); // stylelint-disable-line function-disallowed-list\n            border-left-width: var(--#{$prefix}list-group-border-width);\n          }\n        }\n      }\n    }\n  }\n}\n\n\n// Flush list items\n//\n// Remove borders and border-radius to keep list group items edge-to-edge. Most\n// useful within other components (e.g., cards).\n\n.list-group-flush {\n  @include border-radius(0);\n\n  > .list-group-item {\n    border-width: 0 0 var(--#{$prefix}list-group-border-width);\n\n    &:last-child {\n      border-bottom-width: 0;\n    }\n  }\n}\n\n\n// scss-docs-start list-group-modifiers\n// List group contextual variants\n//\n// Add modifier classes to change text and background color on individual items.\n// Organizationally, this must come after the `:hover` states.\n\n@each $state in map-keys($theme-colors) {\n  .list-group-item-#{$state} {\n    --#{$prefix}list-group-color: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}list-group-bg: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}list-group-border-color: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-action-hover-color: var(--#{$prefix}emphasis-color);\n    --#{$prefix}list-group-action-hover-bg: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-action-active-color: var(--#{$prefix}emphasis-color);\n    --#{$prefix}list-group-action-active-bg: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-active-color: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}list-group-active-bg: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}list-group-active-border-color: var(--#{$prefix}#{$state}-text-emphasis);\n  }\n}\n// scss-docs-end list-group-modifiers\n","// Transparent background and border properties included for button version.\n// iOS requires the button element instead of an anchor tag.\n// If you want the anchor version, it requires `href=\"#\"`.\n// See https://developer.mozilla.org/en-US/docs/Web/Events/click#Safari_Mobile\n\n.btn-close {\n  // scss-docs-start close-css-vars\n  --#{$prefix}btn-close-color: #{$btn-close-color};\n  --#{$prefix}btn-close-bg: #{ escape-svg($btn-close-bg) };\n  --#{$prefix}btn-close-opacity: #{$btn-close-opacity};\n  --#{$prefix}btn-close-hover-opacity: #{$btn-close-hover-opacity};\n  --#{$prefix}btn-close-focus-shadow: #{$btn-close-focus-shadow};\n  --#{$prefix}btn-close-focus-opacity: #{$btn-close-focus-opacity};\n  --#{$prefix}btn-close-disabled-opacity: #{$btn-close-disabled-opacity};\n  --#{$prefix}btn-close-white-filter: #{$btn-close-white-filter};\n  // scss-docs-end close-css-vars\n\n  box-sizing: content-box;\n  width: $btn-close-width;\n  height: $btn-close-height;\n  padding: $btn-close-padding-y $btn-close-padding-x;\n  color: var(--#{$prefix}btn-close-color);\n  background: transparent var(--#{$prefix}btn-close-bg) center / $btn-close-width auto no-repeat; // include transparent for button elements\n  border: 0; // for button elements\n  @include border-radius();\n  opacity: var(--#{$prefix}btn-close-opacity);\n\n  // Override <a>'s hover style\n  &:hover {\n    color: var(--#{$prefix}btn-close-color);\n    text-decoration: none;\n    opacity: var(--#{$prefix}btn-close-hover-opacity);\n  }\n\n  &:focus {\n    outline: 0;\n    box-shadow: var(--#{$prefix}btn-close-focus-shadow);\n    opacity: var(--#{$prefix}btn-close-focus-opacity);\n  }\n\n  &:disabled,\n  &.disabled {\n    pointer-events: none;\n    user-select: none;\n    opacity: var(--#{$prefix}btn-close-disabled-opacity);\n  }\n}\n\n@mixin btn-close-white() {\n  filter: var(--#{$prefix}btn-close-white-filter);\n}\n\n.btn-close-white {\n  @include btn-close-white();\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .btn-close {\n      @include btn-close-white();\n    }\n  }\n}\n",".toast {\n  // scss-docs-start toast-css-vars\n  --#{$prefix}toast-zindex: #{$zindex-toast};\n  --#{$prefix}toast-padding-x: #{$toast-padding-x};\n  --#{$prefix}toast-padding-y: #{$toast-padding-y};\n  --#{$prefix}toast-spacing: #{$toast-spacing};\n  --#{$prefix}toast-max-width: #{$toast-max-width};\n  @include rfs($toast-font-size, --#{$prefix}toast-font-size);\n  --#{$prefix}toast-color: #{$toast-color};\n  --#{$prefix}toast-bg: #{$toast-background-color};\n  --#{$prefix}toast-border-width: #{$toast-border-width};\n  --#{$prefix}toast-border-color: #{$toast-border-color};\n  --#{$prefix}toast-border-radius: #{$toast-border-radius};\n  --#{$prefix}toast-box-shadow: #{$toast-box-shadow};\n  --#{$prefix}toast-header-color: #{$toast-header-color};\n  --#{$prefix}toast-header-bg: #{$toast-header-background-color};\n  --#{$prefix}toast-header-border-color: #{$toast-header-border-color};\n  // scss-docs-end toast-css-vars\n\n  width: var(--#{$prefix}toast-max-width);\n  max-width: 100%;\n  @include font-size(var(--#{$prefix}toast-font-size));\n  color: var(--#{$prefix}toast-color);\n  pointer-events: auto;\n  background-color: var(--#{$prefix}toast-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}toast-border-width) solid var(--#{$prefix}toast-border-color);\n  box-shadow: var(--#{$prefix}toast-box-shadow);\n  @include border-radius(var(--#{$prefix}toast-border-radius));\n\n  &.showing {\n    opacity: 0;\n  }\n\n  &:not(.show) {\n    display: none;\n  }\n}\n\n.toast-container {\n  --#{$prefix}toast-zindex: #{$zindex-toast};\n\n  position: absolute;\n  z-index: var(--#{$prefix}toast-zindex);\n  width: max-content;\n  max-width: 100%;\n  pointer-events: none;\n\n  > :not(:last-child) {\n    margin-bottom: var(--#{$prefix}toast-spacing);\n  }\n}\n\n.toast-header {\n  display: flex;\n  align-items: center;\n  padding: var(--#{$prefix}toast-padding-y) var(--#{$prefix}toast-padding-x);\n  color: var(--#{$prefix}toast-header-color);\n  background-color: var(--#{$prefix}toast-header-bg);\n  background-clip: padding-box;\n  border-bottom: var(--#{$prefix}toast-border-width) solid var(--#{$prefix}toast-header-border-color);\n  @include border-top-radius(calc(var(--#{$prefix}toast-border-radius) - var(--#{$prefix}toast-border-width)));\n\n  .btn-close {\n    margin-right: calc(-.5 * var(--#{$prefix}toast-padding-x)); // stylelint-disable-line function-disallowed-list\n    margin-left: var(--#{$prefix}toast-padding-x);\n  }\n}\n\n.toast-body {\n  padding: var(--#{$prefix}toast-padding-x);\n  word-wrap: break-word;\n}\n","// stylelint-disable function-disallowed-list\n\n// .modal-open      - body class for killing the scroll\n// .modal           - container to scroll within\n// .modal-dialog    - positioning shell for the actual modal\n// .modal-content   - actual modal w/ bg and corners and stuff\n\n\n// Container that the modal scrolls within\n.modal {\n  // scss-docs-start modal-css-vars\n  --#{$prefix}modal-zindex: #{$zindex-modal};\n  --#{$prefix}modal-width: #{$modal-md};\n  --#{$prefix}modal-padding: #{$modal-inner-padding};\n  --#{$prefix}modal-margin: #{$modal-dialog-margin};\n  --#{$prefix}modal-color: #{$modal-content-color};\n  --#{$prefix}modal-bg: #{$modal-content-bg};\n  --#{$prefix}modal-border-color: #{$modal-content-border-color};\n  --#{$prefix}modal-border-width: #{$modal-content-border-width};\n  --#{$prefix}modal-border-radius: #{$modal-content-border-radius};\n  --#{$prefix}modal-box-shadow: #{$modal-content-box-shadow-xs};\n  --#{$prefix}modal-inner-border-radius: #{$modal-content-inner-border-radius};\n  --#{$prefix}modal-header-padding-x: #{$modal-header-padding-x};\n  --#{$prefix}modal-header-padding-y: #{$modal-header-padding-y};\n  --#{$prefix}modal-header-padding: #{$modal-header-padding}; // Todo in v6: Split this padding into x and y\n  --#{$prefix}modal-header-border-color: #{$modal-header-border-color};\n  --#{$prefix}modal-header-border-width: #{$modal-header-border-width};\n  --#{$prefix}modal-title-line-height: #{$modal-title-line-height};\n  --#{$prefix}modal-footer-gap: #{$modal-footer-margin-between};\n  --#{$prefix}modal-footer-bg: #{$modal-footer-bg};\n  --#{$prefix}modal-footer-border-color: #{$modal-footer-border-color};\n  --#{$prefix}modal-footer-border-width: #{$modal-footer-border-width};\n  // scss-docs-end modal-css-vars\n\n  position: fixed;\n  top: 0;\n  left: 0;\n  z-index: var(--#{$prefix}modal-zindex);\n  display: none;\n  width: 100%;\n  height: 100%;\n  overflow-x: hidden;\n  overflow-y: auto;\n  // Prevent Chrome on Windows from adding a focus outline. For details, see\n  // https://github.com/twbs/bootstrap/pull/10951.\n  outline: 0;\n  // We deliberately don't use `-webkit-overflow-scrolling: touch;` due to a\n  // gnarly iOS Safari bug: https://bugs.webkit.org/show_bug.cgi?id=158342\n  // See also https://github.com/twbs/bootstrap/issues/17695\n}\n\n// Shell div to position the modal with bottom padding\n.modal-dialog {\n  position: relative;\n  width: auto;\n  margin: var(--#{$prefix}modal-margin);\n  // allow clicks to pass through for custom click handling to close modal\n  pointer-events: none;\n\n  // When fading in the modal, animate it to slide down\n  .modal.fade & {\n    @include transition($modal-transition);\n    transform: $modal-fade-transform;\n  }\n  .modal.show & {\n    transform: $modal-show-transform;\n  }\n\n  // When trying to close, animate focus to scale\n  .modal.modal-static & {\n    transform: $modal-scale-transform;\n  }\n}\n\n.modal-dialog-scrollable {\n  height: calc(100% - var(--#{$prefix}modal-margin) * 2);\n\n  .modal-content {\n    max-height: 100%;\n    overflow: hidden;\n  }\n\n  .modal-body {\n    overflow-y: auto;\n  }\n}\n\n.modal-dialog-centered {\n  display: flex;\n  align-items: center;\n  min-height: calc(100% - var(--#{$prefix}modal-margin) * 2);\n}\n\n// Actual modal\n.modal-content {\n  position: relative;\n  display: flex;\n  flex-direction: column;\n  width: 100%; // Ensure `.modal-content` extends the full width of the parent `.modal-dialog`\n  // counteract the pointer-events: none; in the .modal-dialog\n  color: var(--#{$prefix}modal-color);\n  pointer-events: auto;\n  background-color: var(--#{$prefix}modal-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}modal-border-width) solid var(--#{$prefix}modal-border-color);\n  @include border-radius(var(--#{$prefix}modal-border-radius));\n  @include box-shadow(var(--#{$prefix}modal-box-shadow));\n  // Remove focus outline from opened modal\n  outline: 0;\n}\n\n// Modal background\n.modal-backdrop {\n  // scss-docs-start modal-backdrop-css-vars\n  --#{$prefix}backdrop-zindex: #{$zindex-modal-backdrop};\n  --#{$prefix}backdrop-bg: #{$modal-backdrop-bg};\n  --#{$prefix}backdrop-opacity: #{$modal-backdrop-opacity};\n  // scss-docs-end modal-backdrop-css-vars\n\n  @include overlay-backdrop(var(--#{$prefix}backdrop-zindex), var(--#{$prefix}backdrop-bg), var(--#{$prefix}backdrop-opacity));\n}\n\n// Modal header\n// Top section of the modal w/ title and dismiss\n.modal-header {\n  display: flex;\n  flex-shrink: 0;\n  align-items: center;\n  justify-content: space-between; // Put modal header elements (title and dismiss) on opposite ends\n  padding: var(--#{$prefix}modal-header-padding);\n  border-bottom: var(--#{$prefix}modal-header-border-width) solid var(--#{$prefix}modal-header-border-color);\n  @include border-top-radius(var(--#{$prefix}modal-inner-border-radius));\n\n  .btn-close {\n    padding: calc(var(--#{$prefix}modal-header-padding-y) * .5) calc(var(--#{$prefix}modal-header-padding-x) * .5);\n    margin: calc(-.5 * var(--#{$prefix}modal-header-padding-y)) calc(-.5 * var(--#{$prefix}modal-header-padding-x)) calc(-.5 * var(--#{$prefix}modal-header-padding-y)) auto;\n  }\n}\n\n// Title text within header\n.modal-title {\n  margin-bottom: 0;\n  line-height: var(--#{$prefix}modal-title-line-height);\n}\n\n// Modal body\n// Where all modal content resides (sibling of .modal-header and .modal-footer)\n.modal-body {\n  position: relative;\n  // Enable `flex-grow: 1` so that the body take up as much space as possible\n  // when there should be a fixed height on `.modal-dialog`.\n  flex: 1 1 auto;\n  padding: var(--#{$prefix}modal-padding);\n}\n\n// Footer (for actions)\n.modal-footer {\n  display: flex;\n  flex-shrink: 0;\n  flex-wrap: wrap;\n  align-items: center; // vertically center\n  justify-content: flex-end; // Right align buttons with flex property because text-align doesn't work on flex items\n  padding: calc(var(--#{$prefix}modal-padding) - var(--#{$prefix}modal-footer-gap) * .5);\n  background-color: var(--#{$prefix}modal-footer-bg);\n  border-top: var(--#{$prefix}modal-footer-border-width) solid var(--#{$prefix}modal-footer-border-color);\n  @include border-bottom-radius(var(--#{$prefix}modal-inner-border-radius));\n\n  // Place margin between footer elements\n  // This solution is far from ideal because of the universal selector usage,\n  // but is needed to fix https://github.com/twbs/bootstrap/issues/24800\n  > * {\n    margin: calc(var(--#{$prefix}modal-footer-gap) * .5); // Todo in v6: replace with gap on parent class\n  }\n}\n\n// Scale up the modal\n@include media-breakpoint-up(sm) {\n  .modal {\n    --#{$prefix}modal-margin: #{$modal-dialog-margin-y-sm-up};\n    --#{$prefix}modal-box-shadow: #{$modal-content-box-shadow-sm-up};\n  }\n\n  // Automatically set modal's width for larger viewports\n  .modal-dialog {\n    max-width: var(--#{$prefix}modal-width);\n    margin-right: auto;\n    margin-left: auto;\n  }\n\n  .modal-sm {\n    --#{$prefix}modal-width: #{$modal-sm};\n  }\n}\n\n@include media-breakpoint-up(lg) {\n  .modal-lg,\n  .modal-xl {\n    --#{$prefix}modal-width: #{$modal-lg};\n  }\n}\n\n@include media-breakpoint-up(xl) {\n  .modal-xl {\n    --#{$prefix}modal-width: #{$modal-xl};\n  }\n}\n\n// scss-docs-start modal-fullscreen-loop\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n  $postfix: if($infix != \"\", $infix + \"-down\", \"\");\n\n  @include media-breakpoint-down($breakpoint) {\n    .modal-fullscreen#{$postfix} {\n      width: 100vw;\n      max-width: none;\n      height: 100%;\n      margin: 0;\n\n      .modal-content {\n        height: 100%;\n        border: 0;\n        @include border-radius(0);\n      }\n\n      .modal-header,\n      .modal-footer {\n        @include border-radius(0);\n      }\n\n      .modal-body {\n        overflow-y: auto;\n      }\n    }\n  }\n}\n// scss-docs-end modal-fullscreen-loop\n","// Shared between modals and offcanvases\n@mixin overlay-backdrop($zindex, $backdrop-bg, $backdrop-opacity) {\n  position: fixed;\n  top: 0;\n  left: 0;\n  z-index: $zindex;\n  width: 100vw;\n  height: 100vh;\n  background-color: $backdrop-bg;\n\n  // Fade for backdrop\n  &.fade { opacity: 0; }\n  &.show { opacity: $backdrop-opacity; }\n}\n","// Base class\n.tooltip {\n  // scss-docs-start tooltip-css-vars\n  --#{$prefix}tooltip-zindex: #{$zindex-tooltip};\n  --#{$prefix}tooltip-max-width: #{$tooltip-max-width};\n  --#{$prefix}tooltip-padding-x: #{$tooltip-padding-x};\n  --#{$prefix}tooltip-padding-y: #{$tooltip-padding-y};\n  --#{$prefix}tooltip-margin: #{$tooltip-margin};\n  @include rfs($tooltip-font-size, --#{$prefix}tooltip-font-size);\n  --#{$prefix}tooltip-color: #{$tooltip-color};\n  --#{$prefix}tooltip-bg: #{$tooltip-bg};\n  --#{$prefix}tooltip-border-radius: #{$tooltip-border-radius};\n  --#{$prefix}tooltip-opacity: #{$tooltip-opacity};\n  --#{$prefix}tooltip-arrow-width: #{$tooltip-arrow-width};\n  --#{$prefix}tooltip-arrow-height: #{$tooltip-arrow-height};\n  // scss-docs-end tooltip-css-vars\n\n  z-index: var(--#{$prefix}tooltip-zindex);\n  display: block;\n  margin: var(--#{$prefix}tooltip-margin);\n  @include deprecate(\"`$tooltip-margin`\", \"v5\", \"v5.x\", true);\n  // Our parent element can be arbitrary since tooltips are by default inserted as a sibling of their target element.\n  // So reset our font and text properties to avoid inheriting weird values.\n  @include reset-text();\n  @include font-size(var(--#{$prefix}tooltip-font-size));\n  // Allow breaking very long words so they don't overflow the tooltip's bounds\n  word-wrap: break-word;\n  opacity: 0;\n\n  &.show { opacity: var(--#{$prefix}tooltip-opacity); }\n\n  .tooltip-arrow {\n    display: block;\n    width: var(--#{$prefix}tooltip-arrow-width);\n    height: var(--#{$prefix}tooltip-arrow-height);\n\n    &::before {\n      position: absolute;\n      content: \"\";\n      border-color: transparent;\n      border-style: solid;\n    }\n  }\n}\n\n.bs-tooltip-top .tooltip-arrow {\n  bottom: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n\n  &::before {\n    top: -1px;\n    border-width: var(--#{$prefix}tooltip-arrow-height) calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    border-top-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-tooltip-end .tooltip-arrow {\n  left: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n  width: var(--#{$prefix}tooltip-arrow-height);\n  height: var(--#{$prefix}tooltip-arrow-width);\n\n  &::before {\n    right: -1px;\n    border-width: calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height) calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    border-right-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-tooltip-bottom .tooltip-arrow {\n  top: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n\n  &::before {\n    bottom: -1px;\n    border-width: 0 calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height); // stylelint-disable-line function-disallowed-list\n    border-bottom-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-tooltip-start .tooltip-arrow {\n  right: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n  width: var(--#{$prefix}tooltip-arrow-height);\n  height: var(--#{$prefix}tooltip-arrow-width);\n\n  &::before {\n    left: -1px;\n    border-width: calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0 calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height); // stylelint-disable-line function-disallowed-list\n    border-left-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-tooltip-auto {\n  &[data-popper-placement^=\"top\"] {\n    @extend .bs-tooltip-top;\n  }\n  &[data-popper-placement^=\"right\"] {\n    @extend .bs-tooltip-end;\n  }\n  &[data-popper-placement^=\"bottom\"] {\n    @extend .bs-tooltip-bottom;\n  }\n  &[data-popper-placement^=\"left\"] {\n    @extend .bs-tooltip-start;\n  }\n}\n\n// Wrapper for the tooltip content\n.tooltip-inner {\n  max-width: var(--#{$prefix}tooltip-max-width);\n  padding: var(--#{$prefix}tooltip-padding-y) var(--#{$prefix}tooltip-padding-x);\n  color: var(--#{$prefix}tooltip-color);\n  text-align: center;\n  background-color: var(--#{$prefix}tooltip-bg);\n  @include border-radius(var(--#{$prefix}tooltip-border-radius));\n}\n","@mixin reset-text {\n  font-family: $font-family-base;\n  // We deliberately do NOT reset font-size or overflow-wrap / word-wrap.\n  font-style: normal;\n  font-weight: $font-weight-normal;\n  line-height: $line-height-base;\n  text-align: left; // Fallback for where `start` is not supported\n  text-align: start;\n  text-decoration: none;\n  text-shadow: none;\n  text-transform: none;\n  letter-spacing: normal;\n  word-break: normal;\n  white-space: normal;\n  word-spacing: normal;\n  line-break: auto;\n}\n",".popover {\n  // scss-docs-start popover-css-vars\n  --#{$prefix}popover-zindex: #{$zindex-popover};\n  --#{$prefix}popover-max-width: #{$popover-max-width};\n  @include rfs($popover-font-size, --#{$prefix}popover-font-size);\n  --#{$prefix}popover-bg: #{$popover-bg};\n  --#{$prefix}popover-border-width: #{$popover-border-width};\n  --#{$prefix}popover-border-color: #{$popover-border-color};\n  --#{$prefix}popover-border-radius: #{$popover-border-radius};\n  --#{$prefix}popover-inner-border-radius: #{$popover-inner-border-radius};\n  --#{$prefix}popover-box-shadow: #{$popover-box-shadow};\n  --#{$prefix}popover-header-padding-x: #{$popover-header-padding-x};\n  --#{$prefix}popover-header-padding-y: #{$popover-header-padding-y};\n  @include rfs($popover-header-font-size, --#{$prefix}popover-header-font-size);\n  --#{$prefix}popover-header-color: #{$popover-header-color};\n  --#{$prefix}popover-header-bg: #{$popover-header-bg};\n  --#{$prefix}popover-body-padding-x: #{$popover-body-padding-x};\n  --#{$prefix}popover-body-padding-y: #{$popover-body-padding-y};\n  --#{$prefix}popover-body-color: #{$popover-body-color};\n  --#{$prefix}popover-arrow-width: #{$popover-arrow-width};\n  --#{$prefix}popover-arrow-height: #{$popover-arrow-height};\n  --#{$prefix}popover-arrow-border: var(--#{$prefix}popover-border-color);\n  // scss-docs-end popover-css-vars\n\n  z-index: var(--#{$prefix}popover-zindex);\n  display: block;\n  max-width: var(--#{$prefix}popover-max-width);\n  // Our parent element can be arbitrary since tooltips are by default inserted as a sibling of their target element.\n  // So reset our font and text properties to avoid inheriting weird values.\n  @include reset-text();\n  @include font-size(var(--#{$prefix}popover-font-size));\n  // Allow breaking very long words so they don't overflow the popover's bounds\n  word-wrap: break-word;\n  background-color: var(--#{$prefix}popover-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-border-color);\n  @include border-radius(var(--#{$prefix}popover-border-radius));\n  @include box-shadow(var(--#{$prefix}popover-box-shadow));\n\n  .popover-arrow {\n    display: block;\n    width: var(--#{$prefix}popover-arrow-width);\n    height: var(--#{$prefix}popover-arrow-height);\n\n    &::before,\n    &::after {\n      position: absolute;\n      display: block;\n      content: \"\";\n      border-color: transparent;\n      border-style: solid;\n      border-width: 0;\n    }\n  }\n}\n\n.bs-popover-top {\n  > .popover-arrow {\n    bottom: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n\n    &::before,\n    &::after {\n      border-width: var(--#{$prefix}popover-arrow-height) calc(var(--#{$prefix}popover-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      bottom: 0;\n      border-top-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      bottom: var(--#{$prefix}popover-border-width);\n      border-top-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-popover-end {\n  > .popover-arrow {\n    left: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n    width: var(--#{$prefix}popover-arrow-height);\n    height: var(--#{$prefix}popover-arrow-width);\n\n    &::before,\n    &::after {\n      border-width: calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height) calc(var(--#{$prefix}popover-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      left: 0;\n      border-right-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      left: var(--#{$prefix}popover-border-width);\n      border-right-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-popover-bottom {\n  > .popover-arrow {\n    top: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n\n    &::before,\n    &::after {\n      border-width: 0 calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height); // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      top: 0;\n      border-bottom-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      top: var(--#{$prefix}popover-border-width);\n      border-bottom-color: var(--#{$prefix}popover-bg);\n    }\n  }\n\n  // This will remove the popover-header's border just below the arrow\n  .popover-header::before {\n    position: absolute;\n    top: 0;\n    left: 50%;\n    display: block;\n    width: var(--#{$prefix}popover-arrow-width);\n    margin-left: calc(-.5 * var(--#{$prefix}popover-arrow-width)); // stylelint-disable-line function-disallowed-list\n    content: \"\";\n    border-bottom: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-header-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-popover-start {\n  > .popover-arrow {\n    right: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n    width: var(--#{$prefix}popover-arrow-height);\n    height: var(--#{$prefix}popover-arrow-width);\n\n    &::before,\n    &::after {\n      border-width: calc(var(--#{$prefix}popover-arrow-width) * .5) 0 calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height); // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      right: 0;\n      border-left-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      right: var(--#{$prefix}popover-border-width);\n      border-left-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-popover-auto {\n  &[data-popper-placement^=\"top\"] {\n    @extend .bs-popover-top;\n  }\n  &[data-popper-placement^=\"right\"] {\n    @extend .bs-popover-end;\n  }\n  &[data-popper-placement^=\"bottom\"] {\n    @extend .bs-popover-bottom;\n  }\n  &[data-popper-placement^=\"left\"] {\n    @extend .bs-popover-start;\n  }\n}\n\n// Offset the popover to account for the popover arrow\n.popover-header {\n  padding: var(--#{$prefix}popover-header-padding-y) var(--#{$prefix}popover-header-padding-x);\n  margin-bottom: 0; // Reset the default from Reboot\n  @include font-size(var(--#{$prefix}popover-header-font-size));\n  color: var(--#{$prefix}popover-header-color);\n  background-color: var(--#{$prefix}popover-header-bg);\n  border-bottom: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-border-color);\n  @include border-top-radius(var(--#{$prefix}popover-inner-border-radius));\n\n  &:empty {\n    display: none;\n  }\n}\n\n.popover-body {\n  padding: var(--#{$prefix}popover-body-padding-y) var(--#{$prefix}popover-body-padding-x);\n  color: var(--#{$prefix}popover-body-color);\n}\n","// Notes on the classes:\n//\n// 1. .carousel.pointer-event should ideally be pan-y (to allow for users to scroll vertically)\n//    even when their scroll action started on a carousel, but for compatibility (with Firefox)\n//    we're preventing all actions instead\n// 2. The .carousel-item-start and .carousel-item-end is used to indicate where\n//    the active slide is heading.\n// 3. .active.carousel-item is the current slide.\n// 4. .active.carousel-item-start and .active.carousel-item-end is the current\n//    slide in its in-transition state. Only one of these occurs at a time.\n// 5. .carousel-item-next.carousel-item-start and .carousel-item-prev.carousel-item-end\n//    is the upcoming slide in transition.\n\n.carousel {\n  position: relative;\n}\n\n.carousel.pointer-event {\n  touch-action: pan-y;\n}\n\n.carousel-inner {\n  position: relative;\n  width: 100%;\n  overflow: hidden;\n  @include clearfix();\n}\n\n.carousel-item {\n  position: relative;\n  display: none;\n  float: left;\n  width: 100%;\n  margin-right: -100%;\n  backface-visibility: hidden;\n  @include transition($carousel-transition);\n}\n\n.carousel-item.active,\n.carousel-item-next,\n.carousel-item-prev {\n  display: block;\n}\n\n.carousel-item-next:not(.carousel-item-start),\n.active.carousel-item-end {\n  transform: translateX(100%);\n}\n\n.carousel-item-prev:not(.carousel-item-end),\n.active.carousel-item-start {\n  transform: translateX(-100%);\n}\n\n\n//\n// Alternate transitions\n//\n\n.carousel-fade {\n  .carousel-item {\n    opacity: 0;\n    transition-property: opacity;\n    transform: none;\n  }\n\n  .carousel-item.active,\n  .carousel-item-next.carousel-item-start,\n  .carousel-item-prev.carousel-item-end {\n    z-index: 1;\n    opacity: 1;\n  }\n\n  .active.carousel-item-start,\n  .active.carousel-item-end {\n    z-index: 0;\n    opacity: 0;\n    @include transition(opacity 0s $carousel-transition-duration);\n  }\n}\n\n\n//\n// Left/right controls for nav\n//\n\n.carousel-control-prev,\n.carousel-control-next {\n  position: absolute;\n  top: 0;\n  bottom: 0;\n  z-index: 1;\n  // Use flex for alignment (1-3)\n  display: flex; // 1. allow flex styles\n  align-items: center; // 2. vertically center contents\n  justify-content: center; // 3. horizontally center contents\n  width: $carousel-control-width;\n  padding: 0;\n  color: $carousel-control-color;\n  text-align: center;\n  background: none;\n  border: 0;\n  opacity: $carousel-control-opacity;\n  @include transition($carousel-control-transition);\n\n  // Hover/focus state\n  &:hover,\n  &:focus {\n    color: $carousel-control-color;\n    text-decoration: none;\n    outline: 0;\n    opacity: $carousel-control-hover-opacity;\n  }\n}\n.carousel-control-prev {\n  left: 0;\n  background-image: if($enable-gradients, linear-gradient(90deg, rgba($black, .25), rgba($black, .001)), null);\n}\n.carousel-control-next {\n  right: 0;\n  background-image: if($enable-gradients, linear-gradient(270deg, rgba($black, .25), rgba($black, .001)), null);\n}\n\n// Icons for within\n.carousel-control-prev-icon,\n.carousel-control-next-icon {\n  display: inline-block;\n  width: $carousel-control-icon-width;\n  height: $carousel-control-icon-width;\n  background-repeat: no-repeat;\n  background-position: 50%;\n  background-size: 100% 100%;\n}\n\n/* rtl:options: {\n  \"autoRename\": true,\n  \"stringMap\":[ {\n    \"name\"    : \"prev-next\",\n    \"search\"  : \"prev\",\n    \"replace\" : \"next\"\n  } ]\n} */\n.carousel-control-prev-icon {\n  background-image: escape-svg($carousel-control-prev-icon-bg);\n}\n.carousel-control-next-icon {\n  background-image: escape-svg($carousel-control-next-icon-bg);\n}\n\n// Optional indicator pips/controls\n//\n// Add a container (such as a list) with the following class and add an item (ideally a focusable control,\n// like a button) with data-bs-target for each slide your carousel holds.\n\n.carousel-indicators {\n  position: absolute;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  z-index: 2;\n  display: flex;\n  justify-content: center;\n  padding: 0;\n  // Use the .carousel-control's width as margin so we don't overlay those\n  margin-right: $carousel-control-width;\n  margin-bottom: 1rem;\n  margin-left: $carousel-control-width;\n\n  [data-bs-target] {\n    box-sizing: content-box;\n    flex: 0 1 auto;\n    width: $carousel-indicator-width;\n    height: $carousel-indicator-height;\n    padding: 0;\n    margin-right: $carousel-indicator-spacer;\n    margin-left: $carousel-indicator-spacer;\n    text-indent: -999px;\n    cursor: pointer;\n    background-color: $carousel-indicator-active-bg;\n    background-clip: padding-box;\n    border: 0;\n    // Use transparent borders to increase the hit area by 10px on top and bottom.\n    border-top: $carousel-indicator-hit-area-height solid transparent;\n    border-bottom: $carousel-indicator-hit-area-height solid transparent;\n    opacity: $carousel-indicator-opacity;\n    @include transition($carousel-indicator-transition);\n  }\n\n  .active {\n    opacity: $carousel-indicator-active-opacity;\n  }\n}\n\n\n// Optional captions\n//\n//\n\n.carousel-caption {\n  position: absolute;\n  right: (100% - $carousel-caption-width) * .5;\n  bottom: $carousel-caption-spacer;\n  left: (100% - $carousel-caption-width) * .5;\n  padding-top: $carousel-caption-padding-y;\n  padding-bottom: $carousel-caption-padding-y;\n  color: $carousel-caption-color;\n  text-align: center;\n}\n\n// Dark mode carousel\n\n@mixin carousel-dark() {\n  .carousel-control-prev-icon,\n  .carousel-control-next-icon {\n    filter: $carousel-dark-control-icon-filter;\n  }\n\n  .carousel-indicators [data-bs-target] {\n    background-color: $carousel-dark-indicator-active-bg;\n  }\n\n  .carousel-caption {\n    color: $carousel-dark-caption-color;\n  }\n}\n\n.carousel-dark {\n  @include carousel-dark();\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    @if $color-mode-type == \"media-query\" {\n      .carousel {\n        @include carousel-dark();\n      }\n    } @else {\n      .carousel,\n      &.carousel {\n        @include carousel-dark();\n      }\n    }\n  }\n}\n","// scss-docs-start clearfix\n@mixin clearfix() {\n  &::after {\n    display: block;\n    clear: both;\n    content: \"\";\n  }\n}\n// scss-docs-end clearfix\n","//\n// Rotating border\n//\n\n.spinner-grow,\n.spinner-border {\n  display: inline-block;\n  width: var(--#{$prefix}spinner-width);\n  height: var(--#{$prefix}spinner-height);\n  vertical-align: var(--#{$prefix}spinner-vertical-align);\n  // stylelint-disable-next-line property-disallowed-list\n  border-radius: 50%;\n  animation: var(--#{$prefix}spinner-animation-speed) linear infinite var(--#{$prefix}spinner-animation-name);\n}\n\n// scss-docs-start spinner-border-keyframes\n@keyframes spinner-border {\n  to { transform: rotate(360deg) #{\"/* rtl:ignore */\"}; }\n}\n// scss-docs-end spinner-border-keyframes\n\n.spinner-border {\n  // scss-docs-start spinner-border-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width};\n  --#{$prefix}spinner-height: #{$spinner-height};\n  --#{$prefix}spinner-vertical-align: #{$spinner-vertical-align};\n  --#{$prefix}spinner-border-width: #{$spinner-border-width};\n  --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed};\n  --#{$prefix}spinner-animation-name: spinner-border;\n  // scss-docs-end spinner-border-css-vars\n\n  border: var(--#{$prefix}spinner-border-width) solid currentcolor;\n  border-right-color: transparent;\n}\n\n.spinner-border-sm {\n  // scss-docs-start spinner-border-sm-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width-sm};\n  --#{$prefix}spinner-height: #{$spinner-height-sm};\n  --#{$prefix}spinner-border-width: #{$spinner-border-width-sm};\n  // scss-docs-end spinner-border-sm-css-vars\n}\n\n//\n// Growing circle\n//\n\n// scss-docs-start spinner-grow-keyframes\n@keyframes spinner-grow {\n  0% {\n    transform: scale(0);\n  }\n  50% {\n    opacity: 1;\n    transform: none;\n  }\n}\n// scss-docs-end spinner-grow-keyframes\n\n.spinner-grow {\n  // scss-docs-start spinner-grow-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width};\n  --#{$prefix}spinner-height: #{$spinner-height};\n  --#{$prefix}spinner-vertical-align: #{$spinner-vertical-align};\n  --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed};\n  --#{$prefix}spinner-animation-name: spinner-grow;\n  // scss-docs-end spinner-grow-css-vars\n\n  background-color: currentcolor;\n  opacity: 0;\n}\n\n.spinner-grow-sm {\n  --#{$prefix}spinner-width: #{$spinner-width-sm};\n  --#{$prefix}spinner-height: #{$spinner-height-sm};\n}\n\n@if $enable-reduced-motion {\n  @media (prefers-reduced-motion: reduce) {\n    .spinner-border,\n    .spinner-grow {\n      --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed * 2};\n    }\n  }\n}\n","// stylelint-disable function-disallowed-list\n\n%offcanvas-css-vars {\n  // scss-docs-start offcanvas-css-vars\n  --#{$prefix}offcanvas-zindex: #{$zindex-offcanvas};\n  --#{$prefix}offcanvas-width: #{$offcanvas-horizontal-width};\n  --#{$prefix}offcanvas-height: #{$offcanvas-vertical-height};\n  --#{$prefix}offcanvas-padding-x: #{$offcanvas-padding-x};\n  --#{$prefix}offcanvas-padding-y: #{$offcanvas-padding-y};\n  --#{$prefix}offcanvas-color: #{$offcanvas-color};\n  --#{$prefix}offcanvas-bg: #{$offcanvas-bg-color};\n  --#{$prefix}offcanvas-border-width: #{$offcanvas-border-width};\n  --#{$prefix}offcanvas-border-color: #{$offcanvas-border-color};\n  --#{$prefix}offcanvas-box-shadow: #{$offcanvas-box-shadow};\n  --#{$prefix}offcanvas-transition: #{transform $offcanvas-transition-duration ease-in-out};\n  --#{$prefix}offcanvas-title-line-height: #{$offcanvas-title-line-height};\n  // scss-docs-end offcanvas-css-vars\n}\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $next: breakpoint-next($breakpoint, $grid-breakpoints);\n  $infix: breakpoint-infix($next, $grid-breakpoints);\n\n  .offcanvas#{$infix} {\n    @extend %offcanvas-css-vars;\n  }\n}\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $next: breakpoint-next($breakpoint, $grid-breakpoints);\n  $infix: breakpoint-infix($next, $grid-breakpoints);\n\n  .offcanvas#{$infix} {\n    @include media-breakpoint-down($next) {\n      position: fixed;\n      bottom: 0;\n      z-index: var(--#{$prefix}offcanvas-zindex);\n      display: flex;\n      flex-direction: column;\n      max-width: 100%;\n      color: var(--#{$prefix}offcanvas-color);\n      visibility: hidden;\n      background-color: var(--#{$prefix}offcanvas-bg);\n      background-clip: padding-box;\n      outline: 0;\n      @include box-shadow(var(--#{$prefix}offcanvas-box-shadow));\n      @include transition(var(--#{$prefix}offcanvas-transition));\n\n      &.offcanvas-start {\n        top: 0;\n        left: 0;\n        width: var(--#{$prefix}offcanvas-width);\n        border-right: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateX(-100%);\n      }\n\n      &.offcanvas-end {\n        top: 0;\n        right: 0;\n        width: var(--#{$prefix}offcanvas-width);\n        border-left: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateX(100%);\n      }\n\n      &.offcanvas-top {\n        top: 0;\n        right: 0;\n        left: 0;\n        height: var(--#{$prefix}offcanvas-height);\n        max-height: 100%;\n        border-bottom: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateY(-100%);\n      }\n\n      &.offcanvas-bottom {\n        right: 0;\n        left: 0;\n        height: var(--#{$prefix}offcanvas-height);\n        max-height: 100%;\n        border-top: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateY(100%);\n      }\n\n      &.showing,\n      &.show:not(.hiding) {\n        transform: none;\n      }\n\n      &.showing,\n      &.hiding,\n      &.show {\n        visibility: visible;\n      }\n    }\n\n    @if not ($infix == \"\") {\n      @include media-breakpoint-up($next) {\n        --#{$prefix}offcanvas-height: auto;\n        --#{$prefix}offcanvas-border-width: 0;\n        background-color: transparent !important; // stylelint-disable-line declaration-no-important\n\n        .offcanvas-header {\n          display: none;\n        }\n\n        .offcanvas-body {\n          display: flex;\n          flex-grow: 0;\n          padding: 0;\n          overflow-y: visible;\n          // Reset `background-color` in case `.bg-*` classes are used in offcanvas\n          background-color: transparent !important; // stylelint-disable-line declaration-no-important\n        }\n      }\n    }\n  }\n}\n\n.offcanvas-backdrop {\n  @include overlay-backdrop($zindex-offcanvas-backdrop, $offcanvas-backdrop-bg, $offcanvas-backdrop-opacity);\n}\n\n.offcanvas-header {\n  display: flex;\n  align-items: center;\n  justify-content: space-between;\n  padding: var(--#{$prefix}offcanvas-padding-y) var(--#{$prefix}offcanvas-padding-x);\n\n  .btn-close {\n    padding: calc(var(--#{$prefix}offcanvas-padding-y) * .5) calc(var(--#{$prefix}offcanvas-padding-x) * .5);\n    margin-top: calc(-.5 * var(--#{$prefix}offcanvas-padding-y));\n    margin-right: calc(-.5 * var(--#{$prefix}offcanvas-padding-x));\n    margin-bottom: calc(-.5 * var(--#{$prefix}offcanvas-padding-y));\n  }\n}\n\n.offcanvas-title {\n  margin-bottom: 0;\n  line-height: var(--#{$prefix}offcanvas-title-line-height);\n}\n\n.offcanvas-body {\n  flex-grow: 1;\n  padding: var(--#{$prefix}offcanvas-padding-y) var(--#{$prefix}offcanvas-padding-x);\n  overflow-y: auto;\n}\n",".placeholder {\n  display: inline-block;\n  min-height: 1em;\n  vertical-align: middle;\n  cursor: wait;\n  background-color: currentcolor;\n  opacity: $placeholder-opacity-max;\n\n  &.btn::before {\n    display: inline-block;\n    content: \"\";\n  }\n}\n\n// Sizing\n.placeholder-xs {\n  min-height: .6em;\n}\n\n.placeholder-sm {\n  min-height: .8em;\n}\n\n.placeholder-lg {\n  min-height: 1.2em;\n}\n\n// Animation\n.placeholder-glow {\n  .placeholder {\n    animation: placeholder-glow 2s ease-in-out infinite;\n  }\n}\n\n@keyframes placeholder-glow {\n  50% {\n    opacity: $placeholder-opacity-min;\n  }\n}\n\n.placeholder-wave {\n  mask-image: linear-gradient(130deg, $black 55%, rgba(0, 0, 0, (1 - $placeholder-opacity-min)) 75%, $black 95%);\n  mask-size: 200% 100%;\n  animation: placeholder-wave 2s linear infinite;\n}\n\n@keyframes placeholder-wave {\n  100% {\n    mask-position: -200% 0%;\n  }\n}\n","// All-caps `RGBA()` function used because of this Sass bug: https://github.com/sass/node-sass/issues/2251\n@each $color, $value in $theme-colors {\n  .text-bg-#{$color} {\n    color: color-contrast($value) if($enable-important-utilities, !important, null);\n    background-color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}bg-opacity, 1)) if($enable-important-utilities, !important, null);\n  }\n}\n","// All-caps `RGBA()` function used because of this Sass bug: https://github.com/sass/node-sass/issues/2251\n@each $color, $value in $theme-colors {\n  .link-#{$color} {\n    color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n    text-decoration-color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n\n    @if $link-shade-percentage != 0 {\n      &:hover,\n      &:focus {\n        $hover-color: if(color-contrast($value) == $color-contrast-light, shade-color($value, $link-shade-percentage), tint-color($value, $link-shade-percentage));\n        color: RGBA(#{to-rgb($hover-color)}, var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n        text-decoration-color: RGBA(to-rgb($hover-color), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n      }\n    }\n  }\n}\n\n// One-off special link helper as a bridge until v6\n.link-body-emphasis {\n  color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n  text-decoration-color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n\n  @if $link-shade-percentage != 0 {\n    &:hover,\n    &:focus {\n      color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-opacity, .75)) if($enable-important-utilities, !important, null);\n      text-decoration-color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-underline-opacity, .75)) if($enable-important-utilities, !important, null);\n    }\n  }\n}\n",".focus-ring:focus {\n  outline: 0;\n  // By default, there is no `--bs-focus-ring-x`, `--bs-focus-ring-y`, or `--bs-focus-ring-blur`, but we provide CSS variables with fallbacks to initial `0` values\n  box-shadow: var(--#{$prefix}focus-ring-x, 0) var(--#{$prefix}focus-ring-y, 0) var(--#{$prefix}focus-ring-blur, 0) var(--#{$prefix}focus-ring-width) var(--#{$prefix}focus-ring-color);\n}\n",".icon-link {\n  display: inline-flex;\n  gap: $icon-link-gap;\n  align-items: center;\n  text-decoration-color: rgba(var(--#{$prefix}link-color-rgb), var(--#{$prefix}link-opacity, .5));\n  text-underline-offset: $icon-link-underline-offset;\n  backface-visibility: hidden;\n\n  > .bi {\n    flex-shrink: 0;\n    width: $icon-link-icon-size;\n    height: $icon-link-icon-size;\n    fill: currentcolor;\n    @include transition($icon-link-icon-transition);\n  }\n}\n\n.icon-link-hover {\n  &:hover,\n  &:focus-visible {\n    > .bi {\n      transform: var(--#{$prefix}icon-link-transform, $icon-link-icon-transform);\n    }\n  }\n}\n","// Credit: Nicolas Gallagher and SUIT CSS.\n\n.ratio {\n  position: relative;\n  width: 100%;\n\n  &::before {\n    display: block;\n    padding-top: var(--#{$prefix}aspect-ratio);\n    content: \"\";\n  }\n\n  > * {\n    position: absolute;\n    top: 0;\n    left: 0;\n    width: 100%;\n    height: 100%;\n  }\n}\n\n@each $key, $ratio in $aspect-ratios {\n  .ratio-#{$key} {\n    --#{$prefix}aspect-ratio: #{$ratio};\n  }\n}\n","// Shorthand\n\n.fixed-top {\n  position: fixed;\n  top: 0;\n  right: 0;\n  left: 0;\n  z-index: $zindex-fixed;\n}\n\n.fixed-bottom {\n  position: fixed;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  z-index: $zindex-fixed;\n}\n\n// Responsive sticky top and bottom\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .sticky#{$infix}-top {\n      position: sticky;\n      top: 0;\n      z-index: $zindex-sticky;\n    }\n\n    .sticky#{$infix}-bottom {\n      position: sticky;\n      bottom: 0;\n      z-index: $zindex-sticky;\n    }\n  }\n}\n","// scss-docs-start stacks\n.hstack {\n  display: flex;\n  flex-direction: row;\n  align-items: center;\n  align-self: stretch;\n}\n\n.vstack {\n  display: flex;\n  flex: 1 1 auto;\n  flex-direction: column;\n  align-self: stretch;\n}\n// scss-docs-end stacks\n","//\n// Visually hidden\n//\n\n.visually-hidden,\n.visually-hidden-focusable:not(:focus):not(:focus-within) {\n  @include visually-hidden();\n}\n","// stylelint-disable declaration-no-important\n\n// Hide content visually while keeping it accessible to assistive technologies\n//\n// See: https://www.a11yproject.com/posts/2013-01-11-how-to-hide-content/\n// See: https://kittygiraudel.com/2016/10/13/css-hide-and-seek/\n\n@mixin visually-hidden() {\n  width: 1px !important;\n  height: 1px !important;\n  padding: 0 !important;\n  margin: -1px !important; // Fix for https://github.com/twbs/bootstrap/issues/25686\n  overflow: hidden !important;\n  clip: rect(0, 0, 0, 0) !important;\n  white-space: nowrap !important;\n  border: 0 !important;\n\n  // Fix for positioned table caption that could become anonymous cells\n  &:not(caption) {\n    position: absolute !important;\n  }\n}\n\n// Use to only display content when it's focused, or one of its child elements is focused\n// (i.e. when focus is within the element/container that the class was applied to)\n//\n// Useful for \"Skip to main content\" links; see https://www.w3.org/TR/2013/NOTE-WCAG20-TECHS-20130905/G1\n\n@mixin visually-hidden-focusable() {\n  &:not(:focus):not(:focus-within) {\n    @include visually-hidden();\n  }\n}\n","//\n// Stretched link\n//\n\n.stretched-link {\n  &::#{$stretched-link-pseudo-element} {\n    position: absolute;\n    top: 0;\n    right: 0;\n    bottom: 0;\n    left: 0;\n    z-index: $stretched-link-z-index;\n    content: \"\";\n  }\n}\n","//\n// Text truncation\n//\n\n.text-truncate {\n  @include text-truncate();\n}\n","// Text truncate\n// Requires inline-block or block for proper styling\n\n@mixin text-truncate() {\n  overflow: hidden;\n  text-overflow: ellipsis;\n  white-space: nowrap;\n}\n",".vr {\n  display: inline-block;\n  align-self: stretch;\n  width: $vr-border-width;\n  min-height: 1em;\n  background-color: currentcolor;\n  opacity: $hr-opacity;\n}\n","// Utility generator\n// Used to generate utilities & print utilities\n@mixin generate-utility($utility, $infix: \"\", $is-rfs-media-query: false) {\n  $values: map-get($utility, values);\n\n  // If the values are a list or string, convert it into a map\n  @if type-of($values) == \"string\" or type-of(nth($values, 1)) != \"list\" {\n    $values: zip($values, $values);\n  }\n\n  @each $key, $value in $values {\n    $properties: map-get($utility, property);\n\n    // Multiple properties are possible, for example with vertical or horizontal margins or paddings\n    @if type-of($properties) == \"string\" {\n      $properties: append((), $properties);\n    }\n\n    // Use custom class if present\n    $property-class: if(map-has-key($utility, class), map-get($utility, class), nth($properties, 1));\n    $property-class: if($property-class == null, \"\", $property-class);\n\n    // Use custom CSS variable name if present, otherwise default to `class`\n    $css-variable-name: if(map-has-key($utility, css-variable-name), map-get($utility, css-variable-name), map-get($utility, class));\n\n    // State params to generate pseudo-classes\n    $state: if(map-has-key($utility, state), map-get($utility, state), ());\n\n    $infix: if($property-class == \"\" and str-slice($infix, 1, 1) == \"-\", str-slice($infix, 2), $infix);\n\n    // Don't prefix if value key is null (e.g. with shadow class)\n    $property-class-modifier: if($key, if($property-class == \"\" and $infix == \"\", \"\", \"-\") + $key, \"\");\n\n    @if map-get($utility, rfs) {\n      // Inside the media query\n      @if $is-rfs-media-query {\n        $val: rfs-value($value);\n\n        // Do not render anything if fluid and non fluid values are the same\n        $value: if($val == rfs-fluid-value($value), null, $val);\n      }\n      @else {\n        $value: rfs-fluid-value($value);\n      }\n    }\n\n    $is-css-var: map-get($utility, css-var);\n    $is-local-vars: map-get($utility, local-vars);\n    $is-rtl: map-get($utility, rtl);\n\n    @if $value != null {\n      @if $is-rtl == false {\n        /* rtl:begin:remove */\n      }\n\n      @if $is-css-var {\n        .#{$property-class + $infix + $property-class-modifier} {\n          --#{$prefix}#{$css-variable-name}: #{$value};\n        }\n\n        @each $pseudo in $state {\n          .#{$property-class + $infix + $property-class-modifier}-#{$pseudo}:#{$pseudo} {\n            --#{$prefix}#{$css-variable-name}: #{$value};\n          }\n        }\n      } @else {\n        .#{$property-class + $infix + $property-class-modifier} {\n          @each $property in $properties {\n            @if $is-local-vars {\n              @each $local-var, $variable in $is-local-vars {\n                --#{$prefix}#{$local-var}: #{$variable};\n              }\n            }\n            #{$property}: $value if($enable-important-utilities, !important, null);\n          }\n        }\n\n        @each $pseudo in $state {\n          .#{$property-class + $infix + $property-class-modifier}-#{$pseudo}:#{$pseudo} {\n            @each $property in $properties {\n              @if $is-local-vars {\n                @each $local-var, $variable in $is-local-vars {\n                  --#{$prefix}#{$local-var}: #{$variable};\n                }\n              }\n              #{$property}: $value if($enable-important-utilities, !important, null);\n            }\n          }\n        }\n      }\n\n      @if $is-rtl == false {\n        /* rtl:end:remove */\n      }\n    }\n  }\n}\n","// Loop over each breakpoint\n@each $breakpoint in map-keys($grid-breakpoints) {\n\n  // Generate media query if needed\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    // Loop over each utility property\n    @each $key, $utility in $utilities {\n      // The utility can be disabled with `false`, thus check if the utility is a map first\n      // Only proceed if responsive media queries are enabled or if it's the base media query\n      @if type-of($utility) == \"map\" and (map-get($utility, responsive) or $infix == \"\") {\n        @include 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\ No newline at end of file
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0)}.dropdown-item:hover,.dropdown-item:focus{color:var(--bs-dropdown-link-hover-color);background-color:var(--bs-dropdown-link-hover-bg)}.dropdown-item.active,.dropdown-item:active{color:var(--bs-dropdown-link-active-color);text-decoration:none;background-color:var(--bs-dropdown-link-active-bg)}.dropdown-item.disabled,.dropdown-item:disabled{color:var(--bs-dropdown-link-disabled-color);pointer-events:none;background-color:rgba(0,0,0,0)}.dropdown-menu.show{display:block}.dropdown-header{display:block;padding:var(--bs-dropdown-header-padding-y) var(--bs-dropdown-header-padding-x);margin-bottom:0;font-size:0.875rem;color:var(--bs-dropdown-header-color);white-space:nowrap}.dropdown-item-text{display:block;padding:var(--bs-dropdown-item-padding-y) var(--bs-dropdown-item-padding-x);color:var(--bs-dropdown-link-color)}.dropdown-menu-dark{--bs-dropdown-color: #dee2e6;--bs-dropdown-bg: #343a40;--bs-dropdown-border-color: var(--bs-border-color-translucent);--bs-dropdown-box-shadow: ;--bs-dropdown-link-color: #dee2e6;--bs-dropdown-link-hover-color: #fff;--bs-dropdown-divider-bg: var(--bs-border-color-translucent);--bs-dropdown-link-hover-bg: var(--pst-color-surface);--bs-dropdown-link-active-color: #fff;--bs-dropdown-link-active-bg: var(--pst-color-surface);--bs-dropdown-link-disabled-color: #adb5bd;--bs-dropdown-header-color: #adb5bd}.btn-group,.btn-group-vertical{position:relative;display:inline-flex;vertical-align:middle}.btn-group>.btn,.btn-group-vertical>.btn{position:relative;flex:1 1 auto}.btn-group>.btn-check:checked+.btn,.btn-group>.btn-check:focus+.btn,.btn-group>.btn:hover,.btn-group>.btn:focus,.btn-group>.btn:active,.btn-group>.btn.active,.btn-group-vertical>.btn-check:checked+.btn,.btn-group-vertical>.btn-check:focus+.btn,.btn-group-vertical>.btn:hover,.btn-group-vertical>.btn:focus,.btn-group-vertical>.btn:active,.btn-group-vertical>.btn.active{z-index:1}.btn-toolbar{display:flex;flex-wrap:wrap;justify-content:flex-start}.btn-toolbar .input-group{width:auto}.btn-group{border-radius:var(--bs-border-radius)}.btn-group>:not(.btn-check:first-child)+.btn,.btn-group>.btn-group:not(:first-child){margin-left:calc(var(--bs-border-width)*-1)}.btn-group>.btn:not(:last-child):not(.dropdown-toggle),.btn-group>.btn.dropdown-toggle-split:first-child,.btn-group>.btn-group:not(:last-child)>.btn{border-top-right-radius:0;border-bottom-right-radius:0}.btn-group>.btn:nth-child(n+3),.btn-group>:not(.btn-check)+.btn,.btn-group>.btn-group:not(:first-child)>.btn{border-top-left-radius:0;border-bottom-left-radius:0}.dropdown-toggle-split{padding-right:.5625rem;padding-left:.5625rem}.dropdown-toggle-split::after,.dropup .dropdown-toggle-split::after,.dropend .dropdown-toggle-split::after{margin-left:0}.dropstart .dropdown-toggle-split::before{margin-right:0}.btn-sm+.dropdown-toggle-split,.btn-group-sm>.btn+.dropdown-toggle-split{padding-right:.375rem;padding-left:.375rem}.btn-lg+.dropdown-toggle-split,.btn-group-lg>.btn+.dropdown-toggle-split{padding-right:.75rem;padding-left:.75rem}.btn-group-vertical{flex-direction:column;align-items:flex-start;justify-content:center}.btn-group-vertical>.btn,.btn-group-vertical>.btn-group{width:100%}.btn-group-vertical>.btn:not(:first-child),.btn-group-vertical>.btn-group:not(:first-child){margin-top:calc(var(--bs-border-width)*-1)}.btn-group-vertical>.btn:not(:last-child):not(.dropdown-toggle),.btn-group-vertical>.btn-group:not(:last-child)>.btn{border-bottom-right-radius:0;border-bottom-left-radius:0}.btn-group-vertical>.btn~.btn,.btn-group-vertical>.btn-group:not(:first-child)>.btn{border-top-left-radius:0;border-top-right-radius:0}.nav{--bs-nav-link-padding-x: 1rem;--bs-nav-link-padding-y: 0.5rem;--bs-nav-link-font-weight: ;--bs-nav-link-color: 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1.25rem;--bs-navbar-brand-color: rgba(var(--bs-emphasis-color-rgb), 1);--bs-navbar-brand-hover-color: rgba(var(--bs-emphasis-color-rgb), 1);--bs-navbar-nav-link-padding-x: 0.5rem;--bs-navbar-toggler-padding-y: 0.25rem;--bs-navbar-toggler-padding-x: 0.75rem;--bs-navbar-toggler-font-size: 1.25rem;--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%2833, 37, 41, 0.75%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\");--bs-navbar-toggler-border-color: rgba(var(--bs-emphasis-color-rgb), 0.15);--bs-navbar-toggler-border-radius: var(--bs-border-radius);--bs-navbar-toggler-focus-width: 0.1875rem;--bs-navbar-toggler-transition: box-shadow 0.15s ease-in-out;position:relative;display:flex;flex-wrap:wrap;align-items:center;justify-content:space-between;padding:var(--bs-navbar-padding-y) 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.offcanvas-body{display:flex;flex-grow:0;padding:0;overflow-y:visible}}.navbar-expand{flex-wrap:nowrap;justify-content:flex-start}.navbar-expand .navbar-nav{flex-direction:row}.navbar-expand .navbar-nav .dropdown-menu{position:absolute}.navbar-expand .navbar-nav .nav-link{padding-right:var(--bs-navbar-nav-link-padding-x);padding-left:var(--bs-navbar-nav-link-padding-x)}.navbar-expand .navbar-nav-scroll{overflow:visible}.navbar-expand .navbar-collapse{display:flex !important;flex-basis:auto}.navbar-expand .navbar-toggler{display:none}.navbar-expand .offcanvas{position:static;z-index:auto;flex-grow:1;width:auto !important;height:auto !important;visibility:visible !important;background-color:rgba(0,0,0,0) !important;border:0 !important;transform:none !important;transition:none}.navbar-expand .offcanvas .offcanvas-header{display:none}.navbar-expand .offcanvas .offcanvas-body{display:flex;flex-grow:0;padding:0;overflow-y:visible}.navbar-dark,.navbar[data-bs-theme=dark]{--bs-navbar-color: rgba(255, 255, 255, 0.55);--bs-navbar-hover-color: rgba(255, 255, 255, 0.75);--bs-navbar-disabled-color: rgba(255, 255, 255, 0.25);--bs-navbar-active-color: #fff;--bs-navbar-brand-color: #fff;--bs-navbar-brand-hover-color: #fff;--bs-navbar-toggler-border-color: rgba(255, 255, 255, 0.1);--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%28255, 255, 255, 0.55%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\")}[data-bs-theme=dark] .navbar-toggler-icon{--bs-navbar-toggler-icon-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'%3e%3cpath stroke='rgba%28255, 255, 255, 0.55%29' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/%3e%3c/svg%3e\")}.card{--bs-card-spacer-y: 1rem;--bs-card-spacer-x: 1rem;--bs-card-title-spacer-y: 0.5rem;--bs-card-title-color: ;--bs-card-subtitle-color: ;--bs-card-border-width: var(--bs-border-width);--bs-card-border-color: var(--bs-border-color-translucent);--bs-card-border-radius: var(--bs-border-radius);--bs-card-box-shadow: ;--bs-card-inner-border-radius: calc(var(--bs-border-radius) - (var(--bs-border-width)));--bs-card-cap-padding-y: 0.5rem;--bs-card-cap-padding-x: 1rem;--bs-card-cap-bg: rgba(var(--bs-body-color-rgb), 0.03);--bs-card-cap-color: ;--bs-card-height: ;--bs-card-color: ;--bs-card-bg: var(--bs-body-bg);--bs-card-img-overlay-padding: 1rem;--bs-card-group-margin: 0.75rem;position:relative;display:flex;flex-direction:column;min-width:0;height:var(--bs-card-height);color:var(--bs-body-color);word-wrap:break-word;background-color:var(--bs-card-bg);background-clip:border-box;border:var(--bs-card-border-width) solid var(--bs-card-border-color);border-radius:var(--bs-card-border-radius)}.card>hr{margin-right:0;margin-left:0}.card>.list-group{border-top:inherit;border-bottom:inherit}.card>.list-group:first-child{border-top-width:0;border-top-left-radius:var(--bs-card-inner-border-radius);border-top-right-radius:var(--bs-card-inner-border-radius)}.card>.list-group:last-child{border-bottom-width:0;border-bottom-right-radius:var(--bs-card-inner-border-radius);border-bottom-left-radius:var(--bs-card-inner-border-radius)}.card>.card-header+.list-group,.card>.list-group+.card-footer{border-top:0}.card-body{flex:1 1 auto;padding:var(--bs-card-spacer-y) var(--bs-card-spacer-x);color:var(--bs-card-color)}.card-title{margin-bottom:var(--bs-card-title-spacer-y);color:var(--bs-card-title-color)}.card-subtitle{margin-top:calc(-0.5*var(--bs-card-title-spacer-y));margin-bottom:0;color:var(--bs-card-subtitle-color)}.card-text:last-child{margin-bottom:0}.card-link+.card-link{margin-left:var(--bs-card-spacer-x)}.card-header{padding:var(--bs-card-cap-padding-y) var(--bs-card-cap-padding-x);margin-bottom:0;color:var(--bs-card-cap-color);background-color:var(--bs-card-cap-bg);border-bottom:var(--bs-card-border-width) solid var(--bs-card-border-color)}.card-header:first-child{border-radius:var(--bs-card-inner-border-radius) var(--bs-card-inner-border-radius) 0 0}.card-footer{padding:var(--bs-card-cap-padding-y) var(--bs-card-cap-padding-x);color:var(--bs-card-cap-color);background-color:var(--bs-card-cap-bg);border-top:var(--bs-card-border-width) solid var(--bs-card-border-color)}.card-footer:last-child{border-radius:0 0 var(--bs-card-inner-border-radius) var(--bs-card-inner-border-radius)}.card-header-tabs{margin-right:calc(-0.5*var(--bs-card-cap-padding-x));margin-bottom:calc(-1*var(--bs-card-cap-padding-y));margin-left:calc(-0.5*var(--bs-card-cap-padding-x));border-bottom:0}.card-header-tabs .nav-link.active{background-color:var(--bs-card-bg);border-bottom-color:var(--bs-card-bg)}.card-header-pills{margin-right:calc(-0.5*var(--bs-card-cap-padding-x));margin-left:calc(-0.5*var(--bs-card-cap-padding-x))}.card-img-overlay{position:absolute;top:0;right:0;bottom:0;left:0;padding:var(--bs-card-img-overlay-padding);border-radius:var(--bs-card-inner-border-radius)}.card-img,.card-img-top,.card-img-bottom{width:100%}.card-img,.card-img-top{border-top-left-radius:var(--bs-card-inner-border-radius);border-top-right-radius:var(--bs-card-inner-border-radius)}.card-img,.card-img-bottom{border-bottom-right-radius:var(--bs-card-inner-border-radius);border-bottom-left-radius:var(--bs-card-inner-border-radius)}.card-group>.card{margin-bottom:var(--bs-card-group-margin)}@media(min-width: 540px){.card-group{display:flex;flex-flow:row wrap}.card-group>.card{flex:1 0 0%;margin-bottom:0}.card-group>.card+.card{margin-left:0;border-left:0}.card-group>.card:not(:last-child){border-top-right-radius:0;border-bottom-right-radius:0}.card-group>.card:not(:last-child) .card-img-top,.card-group>.card:not(:last-child) .card-header{border-top-right-radius:0}.card-group>.card:not(:last-child) .card-img-bottom,.card-group>.card:not(:last-child) .card-footer{border-bottom-right-radius:0}.card-group>.card:not(:first-child){border-top-left-radius:0;border-bottom-left-radius:0}.card-group>.card:not(:first-child) .card-img-top,.card-group>.card:not(:first-child) .card-header{border-top-left-radius:0}.card-group>.card:not(:first-child) .card-img-bottom,.card-group>.card:not(:first-child) .card-footer{border-bottom-left-radius:0}}.accordion{--bs-accordion-color: var(--bs-body-color);--bs-accordion-bg: var(--bs-body-bg);--bs-accordion-transition: color 0.15s ease-in-out, background-color 0.15s ease-in-out, border-color 0.15s ease-in-out, box-shadow 0.15s ease-in-out, border-radius 0.15s ease;--bs-accordion-border-color: var(--bs-border-color);--bs-accordion-border-width: var(--bs-border-width);--bs-accordion-border-radius: var(--bs-border-radius);--bs-accordion-inner-border-radius: calc(var(--bs-border-radius) - (var(--bs-border-width)));--bs-accordion-btn-padding-x: 1.25rem;--bs-accordion-btn-padding-y: 1rem;--bs-accordion-btn-color: var(--bs-body-color);--bs-accordion-btn-bg: var(--bs-accordion-bg);--bs-accordion-btn-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='%23212529' stroke-linecap='round' stroke-linejoin='round'%3e%3cpath d='M2 5L8 11L14 5'/%3e%3c/svg%3e\");--bs-accordion-btn-icon-width: 1.25rem;--bs-accordion-btn-icon-transform: rotate(-180deg);--bs-accordion-btn-icon-transition: transform 0.2s ease-in-out;--bs-accordion-btn-active-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='%23052c65' stroke-linecap='round' stroke-linejoin='round'%3e%3cpath d='M2 5L8 11L14 5'/%3e%3c/svg%3e\");--bs-accordion-btn-focus-box-shadow: 0 0 0 0.1875rem var(--pst-color-accent);--bs-accordion-body-padding-x: 1.25rem;--bs-accordion-body-padding-y: 1rem;--bs-accordion-active-color: var(--bs-primary-text-emphasis);--bs-accordion-active-bg: var(--bs-primary-bg-subtle)}.accordion-button{position:relative;display:flex;align-items:center;width:100%;padding:var(--bs-accordion-btn-padding-y) var(--bs-accordion-btn-padding-x);font-size:1rem;color:var(--bs-accordion-btn-color);text-align:left;background-color:var(--bs-accordion-btn-bg);border:0;border-radius:0;overflow-anchor:none;transition:var(--bs-accordion-transition)}@media(prefers-reduced-motion: reduce){.accordion-button{transition:none}}.accordion-button:not(.collapsed){color:var(--bs-accordion-active-color);background-color:var(--bs-accordion-active-bg);box-shadow:inset 0 calc(-1*var(--bs-accordion-border-width)) 0 var(--bs-accordion-border-color)}.accordion-button:not(.collapsed)::after{background-image:var(--bs-accordion-btn-active-icon);transform:var(--bs-accordion-btn-icon-transform)}.accordion-button::after{flex-shrink:0;width:var(--bs-accordion-btn-icon-width);height:var(--bs-accordion-btn-icon-width);margin-left:auto;content:\"\";background-image:var(--bs-accordion-btn-icon);background-repeat:no-repeat;background-size:var(--bs-accordion-btn-icon-width);transition:var(--bs-accordion-btn-icon-transition)}@media(prefers-reduced-motion: reduce){.accordion-button::after{transition:none}}.accordion-button:hover{z-index:2}.accordion-button:focus{z-index:3;outline:0;box-shadow:var(--bs-accordion-btn-focus-box-shadow)}.accordion-header{margin-bottom:0}.accordion-item{color:var(--bs-accordion-color);background-color:var(--bs-accordion-bg);border:var(--bs-accordion-border-width) solid var(--bs-accordion-border-color)}.accordion-item:first-of-type{border-top-left-radius:var(--bs-accordion-border-radius);border-top-right-radius:var(--bs-accordion-border-radius)}.accordion-item:first-of-type>.accordion-header .accordion-button{border-top-left-radius:var(--bs-accordion-inner-border-radius);border-top-right-radius:var(--bs-accordion-inner-border-radius)}.accordion-item:not(:first-of-type){border-top:0}.accordion-item:last-of-type{border-bottom-right-radius:var(--bs-accordion-border-radius);border-bottom-left-radius:var(--bs-accordion-border-radius)}.accordion-item:last-of-type>.accordion-header .accordion-button.collapsed{border-bottom-right-radius:var(--bs-accordion-inner-border-radius);border-bottom-left-radius:var(--bs-accordion-inner-border-radius)}.accordion-item:last-of-type>.accordion-collapse{border-bottom-right-radius:var(--bs-accordion-border-radius);border-bottom-left-radius:var(--bs-accordion-border-radius)}.accordion-body{padding:var(--bs-accordion-body-padding-y) var(--bs-accordion-body-padding-x)}.accordion-flush>.accordion-item{border-right:0;border-left:0;border-radius:0}.accordion-flush>.accordion-item:first-child{border-top:0}.accordion-flush>.accordion-item:last-child{border-bottom:0}.accordion-flush>.accordion-item>.accordion-header .accordion-button,.accordion-flush>.accordion-item>.accordion-header .accordion-button.collapsed{border-radius:0}.accordion-flush>.accordion-item>.accordion-collapse{border-radius:0}[data-bs-theme=dark] .accordion-button::after{--bs-accordion-btn-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%236ea8fe'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\");--bs-accordion-btn-active-icon: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%236ea8fe'%3e%3cpath fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/%3e%3c/svg%3e\")}.breadcrumb{--bs-breadcrumb-padding-x: 0;--bs-breadcrumb-padding-y: 0;--bs-breadcrumb-margin-bottom: 1rem;--bs-breadcrumb-bg: ;--bs-breadcrumb-border-radius: ;--bs-breadcrumb-divider-color: var(--bs-secondary-color);--bs-breadcrumb-item-padding-x: 0.5rem;--bs-breadcrumb-item-active-color: var(--bs-secondary-color);display:flex;flex-wrap:wrap;padding:var(--bs-breadcrumb-padding-y) var(--bs-breadcrumb-padding-x);margin-bottom:var(--bs-breadcrumb-margin-bottom);font-size:var(--bs-breadcrumb-font-size);list-style:none;background-color:var(--bs-breadcrumb-bg);border-radius:var(--bs-breadcrumb-border-radius)}.breadcrumb-item+.breadcrumb-item{padding-left:var(--bs-breadcrumb-item-padding-x)}.breadcrumb-item+.breadcrumb-item::before{float:left;padding-right:var(--bs-breadcrumb-item-padding-x);color:var(--bs-breadcrumb-divider-color);content:var(--bs-breadcrumb-divider, \"/\") /* rtl: var(--bs-breadcrumb-divider, \"/\") */}.breadcrumb-item.active{color:var(--bs-breadcrumb-item-active-color)}.pagination{--bs-pagination-padding-x: 0.75rem;--bs-pagination-padding-y: 0.375rem;--bs-pagination-font-size:1rem;--bs-pagination-color: var(--bs-link-color);--bs-pagination-bg: var(--bs-body-bg);--bs-pagination-border-width: var(--bs-border-width);--bs-pagination-border-color: var(--bs-border-color);--bs-pagination-border-radius: var(--bs-border-radius);--bs-pagination-hover-color: var(--bs-link-hover-color);--bs-pagination-hover-bg: var(--bs-tertiary-bg);--bs-pagination-hover-border-color: var(--bs-border-color);--bs-pagination-focus-color: var(--bs-link-hover-color);--bs-pagination-focus-bg: var(--bs-secondary-bg);--bs-pagination-focus-box-shadow: 0 0 0 0.1875rem var(--pst-color-accent);--bs-pagination-active-color: #fff;--bs-pagination-active-bg: #0d6efd;--bs-pagination-active-border-color: #0d6efd;--bs-pagination-disabled-color: var(--bs-secondary-color);--bs-pagination-disabled-bg: var(--bs-secondary-bg);--bs-pagination-disabled-border-color: var(--bs-border-color);display:flex;padding-left:0;list-style:none}.page-link{position:relative;display:block;padding:var(--bs-pagination-padding-y) var(--bs-pagination-padding-x);font-size:var(--bs-pagination-font-size);color:var(--bs-pagination-color);text-decoration:none;background-color:var(--bs-pagination-bg);border:var(--bs-pagination-border-width) solid var(--bs-pagination-border-color);transition:color .15s ease-in-out,background-color .15s ease-in-out,border-color .15s ease-in-out,box-shadow .15s ease-in-out}@media(prefers-reduced-motion: reduce){.page-link{transition:none}}.page-link:hover{z-index:2;color:var(--bs-pagination-hover-color);background-color:var(--bs-pagination-hover-bg);border-color:var(--bs-pagination-hover-border-color)}.page-link:focus{z-index:3;color:var(--bs-pagination-focus-color);background-color:var(--bs-pagination-focus-bg);outline:0;box-shadow:var(--bs-pagination-focus-box-shadow)}.page-link.active,.active>.page-link{z-index:3;color:var(--bs-pagination-active-color);background-color:var(--bs-pagination-active-bg);border-color:var(--bs-pagination-active-border-color)}.page-link.disabled,.disabled>.page-link{color:var(--bs-pagination-disabled-color);pointer-events:none;background-color:var(--bs-pagination-disabled-bg);border-color:var(--bs-pagination-disabled-border-color)}.page-item:not(:first-child) .page-link{margin-left:calc(var(--bs-border-width)*-1)}.page-item:first-child .page-link{border-top-left-radius:var(--bs-pagination-border-radius);border-bottom-left-radius:var(--bs-pagination-border-radius)}.page-item:last-child .page-link{border-top-right-radius:var(--bs-pagination-border-radius);border-bottom-right-radius:var(--bs-pagination-border-radius)}.pagination-lg{--bs-pagination-padding-x: 1.5rem;--bs-pagination-padding-y: 0.75rem;--bs-pagination-font-size:1.25rem;--bs-pagination-border-radius: var(--bs-border-radius-lg)}.pagination-sm{--bs-pagination-padding-x: 0.5rem;--bs-pagination-padding-y: 0.25rem;--bs-pagination-font-size:0.875rem;--bs-pagination-border-radius: var(--bs-border-radius-sm)}.badge{--bs-badge-padding-x: 0.65em;--bs-badge-padding-y: 0.35em;--bs-badge-font-size:0.75em;--bs-badge-font-weight: 700;--bs-badge-color: #fff;--bs-badge-border-radius: var(--bs-border-radius);display:inline-block;padding:var(--bs-badge-padding-y) var(--bs-badge-padding-x);font-size:var(--bs-badge-font-size);font-weight:var(--bs-badge-font-weight);line-height:1;color:var(--bs-badge-color);text-align:center;white-space:nowrap;vertical-align:baseline;border-radius:var(--bs-badge-border-radius)}.badge:empty{display:none}.btn .badge{position:relative;top:-1px}.alert{--bs-alert-bg: transparent;--bs-alert-padding-x: 1rem;--bs-alert-padding-y: 1rem;--bs-alert-margin-bottom: 1rem;--bs-alert-color: inherit;--bs-alert-border-color: transparent;--bs-alert-border: var(--bs-border-width) solid var(--bs-alert-border-color);--bs-alert-border-radius: var(--bs-border-radius);--bs-alert-link-color: inherit;position:relative;padding:var(--bs-alert-padding-y) var(--bs-alert-padding-x);margin-bottom:var(--bs-alert-margin-bottom);color:var(--bs-alert-color);background-color:var(--bs-alert-bg);border:var(--bs-alert-border);border-radius:var(--bs-alert-border-radius)}.alert-heading{color:inherit}.alert-link{font-weight:700;color:var(--bs-alert-link-color)}.alert-dismissible{padding-right:3rem}.alert-dismissible .btn-close{position:absolute;top:0;right:0;z-index:2;padding:1.25rem 1rem}.alert-primary{--bs-alert-color: var(--bs-primary-text-emphasis);--bs-alert-bg: var(--bs-primary-bg-subtle);--bs-alert-border-color: var(--bs-primary-border-subtle);--bs-alert-link-color: var(--bs-primary-text-emphasis)}.alert-secondary{--bs-alert-color: var(--bs-secondary-text-emphasis);--bs-alert-bg: var(--bs-secondary-bg-subtle);--bs-alert-border-color: var(--bs-secondary-border-subtle);--bs-alert-link-color: var(--bs-secondary-text-emphasis)}.alert-success{--bs-alert-color: var(--bs-success-text-emphasis);--bs-alert-bg: var(--bs-success-bg-subtle);--bs-alert-border-color: var(--bs-success-border-subtle);--bs-alert-link-color: var(--bs-success-text-emphasis)}.alert-info{--bs-alert-color: var(--bs-info-text-emphasis);--bs-alert-bg: var(--bs-info-bg-subtle);--bs-alert-border-color: var(--bs-info-border-subtle);--bs-alert-link-color: var(--bs-info-text-emphasis)}.alert-warning{--bs-alert-color: var(--bs-warning-text-emphasis);--bs-alert-bg: var(--bs-warning-bg-subtle);--bs-alert-border-color: var(--bs-warning-border-subtle);--bs-alert-link-color: var(--bs-warning-text-emphasis)}.alert-danger{--bs-alert-color: var(--bs-danger-text-emphasis);--bs-alert-bg: var(--bs-danger-bg-subtle);--bs-alert-border-color: var(--bs-danger-border-subtle);--bs-alert-link-color: var(--bs-danger-text-emphasis)}.alert-light{--bs-alert-color: var(--bs-light-text-emphasis);--bs-alert-bg: var(--bs-light-bg-subtle);--bs-alert-border-color: var(--bs-light-border-subtle);--bs-alert-link-color: var(--bs-light-text-emphasis)}.alert-dark{--bs-alert-color: var(--bs-dark-text-emphasis);--bs-alert-bg: var(--bs-dark-bg-subtle);--bs-alert-border-color: var(--bs-dark-border-subtle);--bs-alert-link-color: var(--bs-dark-text-emphasis)}@keyframes progress-bar-stripes{0%{background-position-x:1rem}}.progress,.progress-stacked{--bs-progress-height: 1rem;--bs-progress-font-size:0.75rem;--bs-progress-bg: var(--bs-secondary-bg);--bs-progress-border-radius: var(--bs-border-radius);--bs-progress-box-shadow: var(--bs-box-shadow-inset);--bs-progress-bar-color: #fff;--bs-progress-bar-bg: #0d6efd;--bs-progress-bar-transition: width 0.6s ease;display:flex;height:var(--bs-progress-height);overflow:hidden;font-size:var(--bs-progress-font-size);background-color:var(--bs-progress-bg);border-radius:var(--bs-progress-border-radius)}.progress-bar{display:flex;flex-direction:column;justify-content:center;overflow:hidden;color:var(--bs-progress-bar-color);text-align:center;white-space:nowrap;background-color:var(--bs-progress-bar-bg);transition:var(--bs-progress-bar-transition)}@media(prefers-reduced-motion: reduce){.progress-bar{transition:none}}.progress-bar-striped{background-image:linear-gradient(45deg, rgba(255, 255, 255, 0.15) 25%, transparent 25%, transparent 50%, rgba(255, 255, 255, 0.15) 50%, rgba(255, 255, 255, 0.15) 75%, transparent 75%, transparent);background-size:var(--bs-progress-height) var(--bs-progress-height)}.progress-stacked>.progress{overflow:visible}.progress-stacked>.progress>.progress-bar{width:100%}.progress-bar-animated{animation:1s linear infinite progress-bar-stripes}@media(prefers-reduced-motion: reduce){.progress-bar-animated{animation:none}}.list-group{--bs-list-group-color: var(--bs-body-color);--bs-list-group-bg: var(--bs-body-bg);--bs-list-group-border-color: var(--bs-border-color);--bs-list-group-border-width: var(--bs-border-width);--bs-list-group-border-radius: var(--bs-border-radius);--bs-list-group-item-padding-x: 1rem;--bs-list-group-item-padding-y: 0.5rem;--bs-list-group-action-color: var(--bs-secondary-color);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-tertiary-bg);--bs-list-group-action-active-color: var(--bs-body-color);--bs-list-group-action-active-bg: var(--bs-secondary-bg);--bs-list-group-disabled-color: var(--bs-secondary-color);--bs-list-group-disabled-bg: var(--bs-body-bg);--bs-list-group-active-color: #fff;--bs-list-group-active-bg: #0d6efd;--bs-list-group-active-border-color: 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var(--bs-list-group-border-color)}.list-group-item:first-child{border-top-left-radius:inherit;border-top-right-radius:inherit}.list-group-item:last-child{border-bottom-right-radius:inherit;border-bottom-left-radius:inherit}.list-group-item.disabled,.list-group-item:disabled{color:var(--bs-list-group-disabled-color);pointer-events:none;background-color:var(--bs-list-group-disabled-bg)}.list-group-item.active{z-index:2;color:var(--bs-list-group-active-color);background-color:var(--bs-list-group-active-bg);border-color:var(--bs-list-group-active-border-color)}.list-group-item+.list-group-item{border-top-width:0}.list-group-item+.list-group-item.active{margin-top:calc(-1*var(--bs-list-group-border-width));border-top-width:var(--bs-list-group-border-width)}.list-group-horizontal{flex-direction:row}.list-group-horizontal>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal>.list-group-item.active{margin-top:0}.list-group-horizontal>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}@media(min-width: 540px){.list-group-horizontal-sm{flex-direction:row}.list-group-horizontal-sm>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-sm>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-sm>.list-group-item.active{margin-top:0}.list-group-horizontal-sm>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-sm>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}@media(min-width: 720px){.list-group-horizontal-md{flex-direction:row}.list-group-horizontal-md>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-md>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-md>.list-group-item.active{margin-top:0}.list-group-horizontal-md>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-md>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}@media(min-width: 960px){.list-group-horizontal-lg{flex-direction:row}.list-group-horizontal-lg>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-lg>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-lg>.list-group-item.active{margin-top:0}.list-group-horizontal-lg>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-lg>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}@media(min-width: 1200px){.list-group-horizontal-xl{flex-direction:row}.list-group-horizontal-xl>.list-group-item:first-child:not(:last-child){border-bottom-left-radius:var(--bs-list-group-border-radius);border-top-right-radius:0}.list-group-horizontal-xl>.list-group-item:last-child:not(:first-child){border-top-right-radius:var(--bs-list-group-border-radius);border-bottom-left-radius:0}.list-group-horizontal-xl>.list-group-item.active{margin-top:0}.list-group-horizontal-xl>.list-group-item+.list-group-item{border-top-width:var(--bs-list-group-border-width);border-left-width:0}.list-group-horizontal-xl>.list-group-item+.list-group-item.active{margin-left:calc(-1*var(--bs-list-group-border-width));border-left-width:var(--bs-list-group-border-width)}}.list-group-flush{border-radius:0}.list-group-flush>.list-group-item{border-width:0 0 var(--bs-list-group-border-width)}.list-group-flush>.list-group-item:last-child{border-bottom-width:0}.list-group-item-primary{--bs-list-group-color: var(--bs-primary-text-emphasis);--bs-list-group-bg: var(--bs-primary-bg-subtle);--bs-list-group-border-color: var(--bs-primary-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-primary-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-primary-border-subtle);--bs-list-group-active-color: var(--bs-primary-bg-subtle);--bs-list-group-active-bg: var(--bs-primary-text-emphasis);--bs-list-group-active-border-color: var(--bs-primary-text-emphasis)}.list-group-item-secondary{--bs-list-group-color: var(--bs-secondary-text-emphasis);--bs-list-group-bg: var(--bs-secondary-bg-subtle);--bs-list-group-border-color: var(--bs-secondary-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-secondary-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-secondary-border-subtle);--bs-list-group-active-color: var(--bs-secondary-bg-subtle);--bs-list-group-active-bg: var(--bs-secondary-text-emphasis);--bs-list-group-active-border-color: var(--bs-secondary-text-emphasis)}.list-group-item-success{--bs-list-group-color: var(--bs-success-text-emphasis);--bs-list-group-bg: var(--bs-success-bg-subtle);--bs-list-group-border-color: var(--bs-success-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-success-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-success-border-subtle);--bs-list-group-active-color: var(--bs-success-bg-subtle);--bs-list-group-active-bg: var(--bs-success-text-emphasis);--bs-list-group-active-border-color: var(--bs-success-text-emphasis)}.list-group-item-info{--bs-list-group-color: var(--bs-info-text-emphasis);--bs-list-group-bg: var(--bs-info-bg-subtle);--bs-list-group-border-color: var(--bs-info-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-info-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-info-border-subtle);--bs-list-group-active-color: var(--bs-info-bg-subtle);--bs-list-group-active-bg: var(--bs-info-text-emphasis);--bs-list-group-active-border-color: var(--bs-info-text-emphasis)}.list-group-item-warning{--bs-list-group-color: var(--bs-warning-text-emphasis);--bs-list-group-bg: var(--bs-warning-bg-subtle);--bs-list-group-border-color: var(--bs-warning-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-warning-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-warning-border-subtle);--bs-list-group-active-color: var(--bs-warning-bg-subtle);--bs-list-group-active-bg: var(--bs-warning-text-emphasis);--bs-list-group-active-border-color: var(--bs-warning-text-emphasis)}.list-group-item-danger{--bs-list-group-color: var(--bs-danger-text-emphasis);--bs-list-group-bg: var(--bs-danger-bg-subtle);--bs-list-group-border-color: var(--bs-danger-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-danger-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-danger-border-subtle);--bs-list-group-active-color: var(--bs-danger-bg-subtle);--bs-list-group-active-bg: var(--bs-danger-text-emphasis);--bs-list-group-active-border-color: var(--bs-danger-text-emphasis)}.list-group-item-light{--bs-list-group-color: var(--bs-light-text-emphasis);--bs-list-group-bg: var(--bs-light-bg-subtle);--bs-list-group-border-color: var(--bs-light-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-light-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-light-border-subtle);--bs-list-group-active-color: var(--bs-light-bg-subtle);--bs-list-group-active-bg: var(--bs-light-text-emphasis);--bs-list-group-active-border-color: var(--bs-light-text-emphasis)}.list-group-item-dark{--bs-list-group-color: var(--bs-dark-text-emphasis);--bs-list-group-bg: var(--bs-dark-bg-subtle);--bs-list-group-border-color: var(--bs-dark-border-subtle);--bs-list-group-action-hover-color: var(--bs-emphasis-color);--bs-list-group-action-hover-bg: var(--bs-dark-border-subtle);--bs-list-group-action-active-color: var(--bs-emphasis-color);--bs-list-group-action-active-bg: var(--bs-dark-border-subtle);--bs-list-group-active-color: var(--bs-dark-bg-subtle);--bs-list-group-active-bg: var(--bs-dark-text-emphasis);--bs-list-group-active-border-color: var(--bs-dark-text-emphasis)}.btn-close{--bs-btn-close-color: #000;--bs-btn-close-bg: url(\"data:image/svg+xml,%3csvg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='%23000'%3e%3cpath d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/%3e%3c/svg%3e\");--bs-btn-close-opacity: 0.5;--bs-btn-close-hover-opacity: 0.75;--bs-btn-close-focus-shadow: 0 0 0 0.1875rem var(--pst-color-accent);--bs-btn-close-focus-opacity: 1;--bs-btn-close-disabled-opacity: 0.25;--bs-btn-close-white-filter: invert(1) grayscale(100%) brightness(200%);box-sizing:content-box;width:1em;height:1em;padding:.25em .25em;color:var(--bs-btn-close-color);background:rgba(0,0,0,0) var(--bs-btn-close-bg) center/1em auto no-repeat;border:0;border-radius:.375rem;opacity:var(--bs-btn-close-opacity)}.btn-close:hover{color:var(--bs-btn-close-color);text-decoration:none;opacity:var(--bs-btn-close-hover-opacity)}.btn-close:focus{outline:0;box-shadow:var(--bs-btn-close-focus-shadow);opacity:var(--bs-btn-close-focus-opacity)}.btn-close:disabled,.btn-close.disabled{pointer-events:none;user-select:none;opacity:var(--bs-btn-close-disabled-opacity)}.btn-close-white{filter:var(--bs-btn-close-white-filter)}[data-bs-theme=dark] .btn-close{filter:var(--bs-btn-close-white-filter)}.toast{--bs-toast-zindex: 1090;--bs-toast-padding-x: 0.75rem;--bs-toast-padding-y: 0.5rem;--bs-toast-spacing: 1.5rem;--bs-toast-max-width: 350px;--bs-toast-font-size:0.875rem;--bs-toast-color: ;--bs-toast-bg: rgba(var(--bs-body-bg-rgb), 0.85);--bs-toast-border-width: var(--bs-border-width);--bs-toast-border-color: var(--bs-border-color-translucent);--bs-toast-border-radius: var(--bs-border-radius);--bs-toast-box-shadow: var(--bs-box-shadow);--bs-toast-header-color: var(--bs-secondary-color);--bs-toast-header-bg: rgba(var(--bs-body-bg-rgb), 0.85);--bs-toast-header-border-color: var(--bs-border-color-translucent);width:var(--bs-toast-max-width);max-width:100%;font-size:var(--bs-toast-font-size);color:var(--bs-toast-color);pointer-events:auto;background-color:var(--bs-toast-bg);background-clip:padding-box;border:var(--bs-toast-border-width) solid var(--bs-toast-border-color);box-shadow:var(--bs-toast-box-shadow);border-radius:var(--bs-toast-border-radius)}.toast.showing{opacity:0}.toast:not(.show){display:none}.toast-container{--bs-toast-zindex: 1090;position:absolute;z-index:var(--bs-toast-zindex);width:max-content;max-width:100%;pointer-events:none}.toast-container>:not(:last-child){margin-bottom:var(--bs-toast-spacing)}.toast-header{display:flex;align-items:center;padding:var(--bs-toast-padding-y) var(--bs-toast-padding-x);color:var(--bs-toast-header-color);background-color:var(--bs-toast-header-bg);background-clip:padding-box;border-bottom:var(--bs-toast-border-width) solid var(--bs-toast-header-border-color);border-top-left-radius:calc(var(--bs-toast-border-radius) - var(--bs-toast-border-width));border-top-right-radius:calc(var(--bs-toast-border-radius) - var(--bs-toast-border-width))}.toast-header .btn-close{margin-right:calc(-0.5*var(--bs-toast-padding-x));margin-left:var(--bs-toast-padding-x)}.toast-body{padding:var(--bs-toast-padding-x);word-wrap:break-word}.modal{--bs-modal-zindex: 1055;--bs-modal-width: 500px;--bs-modal-padding: 1rem;--bs-modal-margin: 0.5rem;--bs-modal-color: ;--bs-modal-bg: var(--bs-body-bg);--bs-modal-border-color: var(--bs-border-color-translucent);--bs-modal-border-width: var(--bs-border-width);--bs-modal-border-radius: var(--bs-border-radius-lg);--bs-modal-box-shadow: var(--bs-box-shadow-sm);--bs-modal-inner-border-radius: calc(var(--bs-border-radius-lg) - (var(--bs-border-width)));--bs-modal-header-padding-x: 1rem;--bs-modal-header-padding-y: 1rem;--bs-modal-header-padding: 1rem 1rem;--bs-modal-header-border-color: var(--bs-border-color);--bs-modal-header-border-width: var(--bs-border-width);--bs-modal-title-line-height: 1.5;--bs-modal-footer-gap: 0.5rem;--bs-modal-footer-bg: ;--bs-modal-footer-border-color: var(--bs-border-color);--bs-modal-footer-border-width: var(--bs-border-width);position:fixed;top:0;left:0;z-index:var(--bs-modal-zindex);display:none;width:100%;height:100%;overflow-x:hidden;overflow-y:auto;outline:0}.modal-dialog{position:relative;width:auto;margin:var(--bs-modal-margin);pointer-events:none}.modal.fade .modal-dialog{transition:transform .3s ease-out;transform:translate(0, -50px)}@media(prefers-reduced-motion: reduce){.modal.fade .modal-dialog{transition:none}}.modal.show .modal-dialog{transform:none}.modal.modal-static 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0.5;position:fixed;top:0;left:0;z-index:var(--bs-backdrop-zindex);width:100vw;height:100vh;background-color:var(--bs-backdrop-bg)}.modal-backdrop.fade{opacity:0}.modal-backdrop.show{opacity:var(--bs-backdrop-opacity)}.modal-header{display:flex;flex-shrink:0;align-items:center;padding:var(--bs-modal-header-padding);border-bottom:var(--bs-modal-header-border-width) solid var(--bs-modal-header-border-color);border-top-left-radius:var(--bs-modal-inner-border-radius);border-top-right-radius:var(--bs-modal-inner-border-radius)}.modal-header .btn-close{padding:calc(var(--bs-modal-header-padding-y)*.5) calc(var(--bs-modal-header-padding-x)*.5);margin:calc(-0.5*var(--bs-modal-header-padding-y)) calc(-0.5*var(--bs-modal-header-padding-x)) calc(-0.5*var(--bs-modal-header-padding-y)) auto}.modal-title{margin-bottom:0;line-height:var(--bs-modal-title-line-height)}.modal-body{position:relative;flex:1 1 auto;padding:var(--bs-modal-padding)}.modal-footer{display:flex;flex-shrink:0;flex-wrap:wrap;align-items:center;justify-content:flex-end;padding:calc(var(--bs-modal-padding) - var(--bs-modal-footer-gap)*.5);background-color:var(--bs-modal-footer-bg);border-top:var(--bs-modal-footer-border-width) solid var(--bs-modal-footer-border-color);border-bottom-right-radius:var(--bs-modal-inner-border-radius);border-bottom-left-radius:var(--bs-modal-inner-border-radius)}.modal-footer>*{margin:calc(var(--bs-modal-footer-gap)*.5)}@media(min-width: 540px){.modal{--bs-modal-margin: 1.75rem;--bs-modal-box-shadow: var(--bs-box-shadow)}.modal-dialog{max-width:var(--bs-modal-width);margin-right:auto;margin-left:auto}.modal-sm{--bs-modal-width: 300px}}@media(min-width: 960px){.modal-lg,.modal-xl{--bs-modal-width: 800px}}@media(min-width: 1200px){.modal-xl{--bs-modal-width: 1140px}}.modal-fullscreen{width:100vw;max-width:none;height:100%;margin:0}.modal-fullscreen 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!important}.p-lg-5{padding:3rem !important}.px-lg-0{padding-right:0 !important;padding-left:0 !important}.px-lg-1{padding-right:.25rem !important;padding-left:.25rem !important}.px-lg-2{padding-right:.5rem !important;padding-left:.5rem !important}.px-lg-3{padding-right:1rem !important;padding-left:1rem !important}.px-lg-4{padding-right:1.5rem !important;padding-left:1.5rem !important}.px-lg-5{padding-right:3rem !important;padding-left:3rem !important}.py-lg-0{padding-top:0 !important;padding-bottom:0 !important}.py-lg-1{padding-top:.25rem !important;padding-bottom:.25rem !important}.py-lg-2{padding-top:.5rem !important;padding-bottom:.5rem !important}.py-lg-3{padding-top:1rem !important;padding-bottom:1rem !important}.py-lg-4{padding-top:1.5rem !important;padding-bottom:1.5rem !important}.py-lg-5{padding-top:3rem !important;padding-bottom:3rem !important}.pt-lg-0{padding-top:0 !important}.pt-lg-1{padding-top:.25rem !important}.pt-lg-2{padding-top:.5rem !important}.pt-lg-3{padding-top:1rem !important}.pt-lg-4{padding-top:1.5rem !important}.pt-lg-5{padding-top:3rem !important}.pe-lg-0{padding-right:0 !important}.pe-lg-1{padding-right:.25rem !important}.pe-lg-2{padding-right:.5rem !important}.pe-lg-3{padding-right:1rem !important}.pe-lg-4{padding-right:1.5rem !important}.pe-lg-5{padding-right:3rem !important}.pb-lg-0{padding-bottom:0 !important}.pb-lg-1{padding-bottom:.25rem !important}.pb-lg-2{padding-bottom:.5rem !important}.pb-lg-3{padding-bottom:1rem !important}.pb-lg-4{padding-bottom:1.5rem !important}.pb-lg-5{padding-bottom:3rem !important}.ps-lg-0{padding-left:0 !important}.ps-lg-1{padding-left:.25rem !important}.ps-lg-2{padding-left:.5rem !important}.ps-lg-3{padding-left:1rem !important}.ps-lg-4{padding-left:1.5rem !important}.ps-lg-5{padding-left:3rem !important}.gap-lg-0{gap:0 !important}.gap-lg-1{gap:.25rem !important}.gap-lg-2{gap:.5rem !important}.gap-lg-3{gap:1rem !important}.gap-lg-4{gap:1.5rem !important}.gap-lg-5{gap:3rem !important}.row-gap-lg-0{row-gap:0 !important}.row-gap-lg-1{row-gap:.25rem !important}.row-gap-lg-2{row-gap:.5rem !important}.row-gap-lg-3{row-gap:1rem !important}.row-gap-lg-4{row-gap:1.5rem !important}.row-gap-lg-5{row-gap:3rem !important}.column-gap-lg-0{column-gap:0 !important}.column-gap-lg-1{column-gap:.25rem !important}.column-gap-lg-2{column-gap:.5rem !important}.column-gap-lg-3{column-gap:1rem !important}.column-gap-lg-4{column-gap:1.5rem !important}.column-gap-lg-5{column-gap:3rem !important}.text-lg-start{text-align:left !important}.text-lg-end{text-align:right !important}.text-lg-center{text-align:center !important}}@media(min-width: 1200px){.float-xl-start{float:left !important}.float-xl-end{float:right !important}.float-xl-none{float:none !important}.object-fit-xl-contain{object-fit:contain !important}.object-fit-xl-cover{object-fit:cover !important}.object-fit-xl-fill{object-fit:fill !important}.object-fit-xl-scale{object-fit:scale-down !important}.object-fit-xl-none{object-fit:none !important}.d-xl-inline{display:inline !important}.d-xl-inline-block{display:inline-block !important}.d-xl-block{display:block !important}.d-xl-grid{display:grid !important}.d-xl-inline-grid{display:inline-grid !important}.d-xl-table{display:table !important}.d-xl-table-row{display:table-row !important}.d-xl-table-cell{display:table-cell !important}.d-xl-flex{display:flex !important}.d-xl-inline-flex{display:inline-flex !important}.d-xl-none{display:none !important}.flex-xl-fill{flex:1 1 auto !important}.flex-xl-row{flex-direction:row !important}.flex-xl-column{flex-direction:column !important}.flex-xl-row-reverse{flex-direction:row-reverse !important}.flex-xl-column-reverse{flex-direction:column-reverse !important}.flex-xl-grow-0{flex-grow:0 !important}.flex-xl-grow-1{flex-grow:1 !important}.flex-xl-shrink-0{flex-shrink:0 !important}.flex-xl-shrink-1{flex-shrink:1 !important}.flex-xl-wrap{flex-wrap:wrap !important}.flex-xl-nowrap{flex-wrap:nowrap !important}.flex-xl-wrap-reverse{flex-wrap:wrap-reverse !important}.justify-content-xl-start{justify-content:flex-start !important}.justify-content-xl-end{justify-content:flex-end !important}.justify-content-xl-center{justify-content:center !important}.justify-content-xl-between{justify-content:space-between !important}.justify-content-xl-around{justify-content:space-around !important}.justify-content-xl-evenly{justify-content:space-evenly !important}.align-items-xl-start{align-items:flex-start !important}.align-items-xl-end{align-items:flex-end !important}.align-items-xl-center{align-items:center !important}.align-items-xl-baseline{align-items:baseline !important}.align-items-xl-stretch{align-items:stretch !important}.align-content-xl-start{align-content:flex-start !important}.align-content-xl-end{align-content:flex-end !important}.align-content-xl-center{align-content:center !important}.align-content-xl-between{align-content:space-between !important}.align-content-xl-around{align-content:space-around !important}.align-content-xl-stretch{align-content:stretch !important}.align-self-xl-auto{align-self:auto !important}.align-self-xl-start{align-self:flex-start !important}.align-self-xl-end{align-self:flex-end !important}.align-self-xl-center{align-self:center !important}.align-self-xl-baseline{align-self:baseline !important}.align-self-xl-stretch{align-self:stretch !important}.order-xl-first{order:-1 !important}.order-xl-0{order:0 !important}.order-xl-1{order:1 !important}.order-xl-2{order:2 !important}.order-xl-3{order:3 !important}.order-xl-4{order:4 !important}.order-xl-5{order:5 !important}.order-xl-last{order:6 !important}.m-xl-0{margin:0 !important}.m-xl-1{margin:.25rem !important}.m-xl-2{margin:.5rem !important}.m-xl-3{margin:1rem !important}.m-xl-4{margin:1.5rem !important}.m-xl-5{margin:3rem !important}.m-xl-auto{margin:auto !important}.mx-xl-0{margin-right:0 !important;margin-left:0 !important}.mx-xl-1{margin-right:.25rem !important;margin-left:.25rem !important}.mx-xl-2{margin-right:.5rem !important;margin-left:.5rem !important}.mx-xl-3{margin-right:1rem !important;margin-left:1rem !important}.mx-xl-4{margin-right:1.5rem !important;margin-left:1.5rem !important}.mx-xl-5{margin-right:3rem !important;margin-left:3rem !important}.mx-xl-auto{margin-right:auto !important;margin-left:auto !important}.my-xl-0{margin-top:0 !important;margin-bottom:0 !important}.my-xl-1{margin-top:.25rem !important;margin-bottom:.25rem !important}.my-xl-2{margin-top:.5rem !important;margin-bottom:.5rem !important}.my-xl-3{margin-top:1rem !important;margin-bottom:1rem !important}.my-xl-4{margin-top:1.5rem !important;margin-bottom:1.5rem !important}.my-xl-5{margin-top:3rem !important;margin-bottom:3rem !important}.my-xl-auto{margin-top:auto !important;margin-bottom:auto !important}.mt-xl-0{margin-top:0 !important}.mt-xl-1{margin-top:.25rem !important}.mt-xl-2{margin-top:.5rem !important}.mt-xl-3{margin-top:1rem !important}.mt-xl-4{margin-top:1.5rem !important}.mt-xl-5{margin-top:3rem !important}.mt-xl-auto{margin-top:auto !important}.me-xl-0{margin-right:0 !important}.me-xl-1{margin-right:.25rem !important}.me-xl-2{margin-right:.5rem !important}.me-xl-3{margin-right:1rem !important}.me-xl-4{margin-right:1.5rem !important}.me-xl-5{margin-right:3rem !important}.me-xl-auto{margin-right:auto !important}.mb-xl-0{margin-bottom:0 !important}.mb-xl-1{margin-bottom:.25rem !important}.mb-xl-2{margin-bottom:.5rem !important}.mb-xl-3{margin-bottom:1rem !important}.mb-xl-4{margin-bottom:1.5rem !important}.mb-xl-5{margin-bottom:3rem !important}.mb-xl-auto{margin-bottom:auto !important}.ms-xl-0{margin-left:0 !important}.ms-xl-1{margin-left:.25rem !important}.ms-xl-2{margin-left:.5rem !important}.ms-xl-3{margin-left:1rem !important}.ms-xl-4{margin-left:1.5rem !important}.ms-xl-5{margin-left:3rem !important}.ms-xl-auto{margin-left:auto !important}.p-xl-0{padding:0 !important}.p-xl-1{padding:.25rem !important}.p-xl-2{padding:.5rem !important}.p-xl-3{padding:1rem !important}.p-xl-4{padding:1.5rem !important}.p-xl-5{padding:3rem !important}.px-xl-0{padding-right:0 !important;padding-left:0 !important}.px-xl-1{padding-right:.25rem !important;padding-left:.25rem !important}.px-xl-2{padding-right:.5rem !important;padding-left:.5rem !important}.px-xl-3{padding-right:1rem !important;padding-left:1rem !important}.px-xl-4{padding-right:1.5rem !important;padding-left:1.5rem !important}.px-xl-5{padding-right:3rem !important;padding-left:3rem !important}.py-xl-0{padding-top:0 !important;padding-bottom:0 !important}.py-xl-1{padding-top:.25rem !important;padding-bottom:.25rem !important}.py-xl-2{padding-top:.5rem !important;padding-bottom:.5rem !important}.py-xl-3{padding-top:1rem !important;padding-bottom:1rem !important}.py-xl-4{padding-top:1.5rem !important;padding-bottom:1.5rem !important}.py-xl-5{padding-top:3rem !important;padding-bottom:3rem !important}.pt-xl-0{padding-top:0 !important}.pt-xl-1{padding-top:.25rem !important}.pt-xl-2{padding-top:.5rem !important}.pt-xl-3{padding-top:1rem !important}.pt-xl-4{padding-top:1.5rem !important}.pt-xl-5{padding-top:3rem !important}.pe-xl-0{padding-right:0 !important}.pe-xl-1{padding-right:.25rem !important}.pe-xl-2{padding-right:.5rem !important}.pe-xl-3{padding-right:1rem !important}.pe-xl-4{padding-right:1.5rem !important}.pe-xl-5{padding-right:3rem !important}.pb-xl-0{padding-bottom:0 !important}.pb-xl-1{padding-bottom:.25rem !important}.pb-xl-2{padding-bottom:.5rem !important}.pb-xl-3{padding-bottom:1rem !important}.pb-xl-4{padding-bottom:1.5rem !important}.pb-xl-5{padding-bottom:3rem !important}.ps-xl-0{padding-left:0 !important}.ps-xl-1{padding-left:.25rem !important}.ps-xl-2{padding-left:.5rem !important}.ps-xl-3{padding-left:1rem !important}.ps-xl-4{padding-left:1.5rem !important}.ps-xl-5{padding-left:3rem !important}.gap-xl-0{gap:0 !important}.gap-xl-1{gap:.25rem !important}.gap-xl-2{gap:.5rem !important}.gap-xl-3{gap:1rem !important}.gap-xl-4{gap:1.5rem !important}.gap-xl-5{gap:3rem !important}.row-gap-xl-0{row-gap:0 !important}.row-gap-xl-1{row-gap:.25rem !important}.row-gap-xl-2{row-gap:.5rem !important}.row-gap-xl-3{row-gap:1rem !important}.row-gap-xl-4{row-gap:1.5rem !important}.row-gap-xl-5{row-gap:3rem !important}.column-gap-xl-0{column-gap:0 !important}.column-gap-xl-1{column-gap:.25rem !important}.column-gap-xl-2{column-gap:.5rem !important}.column-gap-xl-3{column-gap:1rem !important}.column-gap-xl-4{column-gap:1.5rem !important}.column-gap-xl-5{column-gap:3rem !important}.text-xl-start{text-align:left !important}.text-xl-end{text-align:right !important}.text-xl-center{text-align:center !important}}@media(min-width: 1200px){.fs-1{font-size:2.5rem !important}.fs-2{font-size:2rem !important}.fs-3{font-size:1.75rem !important}.fs-4{font-size:1.5rem !important}}@media print{.d-print-inline{display:inline !important}.d-print-inline-block{display:inline-block !important}.d-print-block{display:block !important}.d-print-grid{display:grid !important}.d-print-inline-grid{display:inline-grid !important}.d-print-table{display:table !important}.d-print-table-row{display:table-row !important}.d-print-table-cell{display:table-cell !important}.d-print-flex{display:flex !important}.d-print-inline-flex{display:inline-flex !important}.d-print-none{display:none !important}}","@mixin bsBanner($file) {\n  /*!\n   * Bootstrap #{$file} v5.3.3 (https://getbootstrap.com/)\n   * Copyright 2011-2024 The Bootstrap Authors\n   * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n   */\n}\n",":root,\n[data-bs-theme=\"light\"] {\n  // Note: Custom variable values only support SassScript inside `#{}`.\n\n  // Colors\n  //\n  // Generate palettes for full colors, grays, and theme colors.\n\n  @each $color, $value in $colors {\n    --#{$prefix}#{$color}: #{$value};\n  }\n\n  @each $color, $value in $grays {\n    --#{$prefix}gray-#{$color}: #{$value};\n  }\n\n  @each $color, $value in $theme-colors {\n    --#{$prefix}#{$color}: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-rgb {\n    --#{$prefix}#{$color}-rgb: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-text {\n    --#{$prefix}#{$color}-text-emphasis: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-bg-subtle {\n    --#{$prefix}#{$color}-bg-subtle: #{$value};\n  }\n\n  @each $color, $value in $theme-colors-border-subtle {\n    --#{$prefix}#{$color}-border-subtle: #{$value};\n  }\n\n  --#{$prefix}white-rgb: #{to-rgb($white)};\n  --#{$prefix}black-rgb: #{to-rgb($black)};\n\n  // Fonts\n\n  // Note: Use `inspect` for lists so that quoted items keep the quotes.\n  // See https://github.com/sass/sass/issues/2383#issuecomment-336349172\n  --#{$prefix}font-sans-serif: #{inspect($font-family-sans-serif)};\n  --#{$prefix}font-monospace: #{inspect($font-family-monospace)};\n  --#{$prefix}gradient: #{$gradient};\n\n  // Root and body\n  // scss-docs-start root-body-variables\n  @if $font-size-root != null {\n    --#{$prefix}root-font-size: #{$font-size-root};\n  }\n  --#{$prefix}body-font-family: #{inspect($font-family-base)};\n  @include rfs($font-size-base, --#{$prefix}body-font-size);\n  --#{$prefix}body-font-weight: #{$font-weight-base};\n  --#{$prefix}body-line-height: #{$line-height-base};\n  @if $body-text-align != null {\n    --#{$prefix}body-text-align: #{$body-text-align};\n  }\n\n  --#{$prefix}body-color: #{$body-color};\n  --#{$prefix}body-color-rgb: #{to-rgb($body-color)};\n  --#{$prefix}body-bg: #{$body-bg};\n  --#{$prefix}body-bg-rgb: #{to-rgb($body-bg)};\n\n  --#{$prefix}emphasis-color: #{$body-emphasis-color};\n  --#{$prefix}emphasis-color-rgb: #{to-rgb($body-emphasis-color)};\n\n  --#{$prefix}secondary-color: #{$body-secondary-color};\n  --#{$prefix}secondary-color-rgb: #{to-rgb($body-secondary-color)};\n  --#{$prefix}secondary-bg: #{$body-secondary-bg};\n  --#{$prefix}secondary-bg-rgb: #{to-rgb($body-secondary-bg)};\n\n  --#{$prefix}tertiary-color: #{$body-tertiary-color};\n  --#{$prefix}tertiary-color-rgb: #{to-rgb($body-tertiary-color)};\n  --#{$prefix}tertiary-bg: #{$body-tertiary-bg};\n  --#{$prefix}tertiary-bg-rgb: #{to-rgb($body-tertiary-bg)};\n  // scss-docs-end root-body-variables\n\n  --#{$prefix}heading-color: #{$headings-color};\n\n  --#{$prefix}link-color: #{$link-color};\n  --#{$prefix}link-color-rgb: #{to-rgb($link-color)};\n  --#{$prefix}link-decoration: #{$link-decoration};\n\n  --#{$prefix}link-hover-color: #{$link-hover-color};\n  --#{$prefix}link-hover-color-rgb: #{to-rgb($link-hover-color)};\n\n  @if $link-hover-decoration != null {\n    --#{$prefix}link-hover-decoration: #{$link-hover-decoration};\n  }\n\n  --#{$prefix}code-color: #{$code-color};\n  --#{$prefix}highlight-color: #{$mark-color};\n  --#{$prefix}highlight-bg: #{$mark-bg};\n\n  // scss-docs-start root-border-var\n  --#{$prefix}border-width: #{$border-width};\n  --#{$prefix}border-style: #{$border-style};\n  --#{$prefix}border-color: #{$border-color};\n  --#{$prefix}border-color-translucent: #{$border-color-translucent};\n\n  --#{$prefix}border-radius: #{$border-radius};\n  --#{$prefix}border-radius-sm: #{$border-radius-sm};\n  --#{$prefix}border-radius-lg: #{$border-radius-lg};\n  --#{$prefix}border-radius-xl: #{$border-radius-xl};\n  --#{$prefix}border-radius-xxl: #{$border-radius-xxl};\n  --#{$prefix}border-radius-2xl: var(--#{$prefix}border-radius-xxl); // Deprecated in v5.3.0 for consistency\n  --#{$prefix}border-radius-pill: #{$border-radius-pill};\n  // scss-docs-end root-border-var\n\n  --#{$prefix}box-shadow: #{$box-shadow};\n  --#{$prefix}box-shadow-sm: #{$box-shadow-sm};\n  --#{$prefix}box-shadow-lg: #{$box-shadow-lg};\n  --#{$prefix}box-shadow-inset: #{$box-shadow-inset};\n\n  // Focus styles\n  // scss-docs-start root-focus-variables\n  --#{$prefix}focus-ring-width: #{$focus-ring-width};\n  --#{$prefix}focus-ring-opacity: #{$focus-ring-opacity};\n  --#{$prefix}focus-ring-color: #{$focus-ring-color};\n  // scss-docs-end root-focus-variables\n\n  // scss-docs-start root-form-validation-variables\n  --#{$prefix}form-valid-color: #{$form-valid-color};\n  --#{$prefix}form-valid-border-color: #{$form-valid-border-color};\n  --#{$prefix}form-invalid-color: #{$form-invalid-color};\n  --#{$prefix}form-invalid-border-color: #{$form-invalid-border-color};\n  // scss-docs-end root-form-validation-variables\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark, true) {\n    color-scheme: dark;\n\n    // scss-docs-start root-dark-mode-vars\n    --#{$prefix}body-color: #{$body-color-dark};\n    --#{$prefix}body-color-rgb: #{to-rgb($body-color-dark)};\n    --#{$prefix}body-bg: #{$body-bg-dark};\n    --#{$prefix}body-bg-rgb: #{to-rgb($body-bg-dark)};\n\n    --#{$prefix}emphasis-color: #{$body-emphasis-color-dark};\n    --#{$prefix}emphasis-color-rgb: #{to-rgb($body-emphasis-color-dark)};\n\n    --#{$prefix}secondary-color: #{$body-secondary-color-dark};\n    --#{$prefix}secondary-color-rgb: #{to-rgb($body-secondary-color-dark)};\n    --#{$prefix}secondary-bg: #{$body-secondary-bg-dark};\n    --#{$prefix}secondary-bg-rgb: #{to-rgb($body-secondary-bg-dark)};\n\n    --#{$prefix}tertiary-color: #{$body-tertiary-color-dark};\n    --#{$prefix}tertiary-color-rgb: #{to-rgb($body-tertiary-color-dark)};\n    --#{$prefix}tertiary-bg: #{$body-tertiary-bg-dark};\n    --#{$prefix}tertiary-bg-rgb: #{to-rgb($body-tertiary-bg-dark)};\n\n    @each $color, $value in $theme-colors-text-dark {\n      --#{$prefix}#{$color}-text-emphasis: #{$value};\n    }\n\n    @each $color, $value in $theme-colors-bg-subtle-dark {\n      --#{$prefix}#{$color}-bg-subtle: #{$value};\n    }\n\n    @each $color, $value in $theme-colors-border-subtle-dark {\n      --#{$prefix}#{$color}-border-subtle: #{$value};\n    }\n\n    --#{$prefix}heading-color: #{$headings-color-dark};\n\n    --#{$prefix}link-color: #{$link-color-dark};\n    --#{$prefix}link-hover-color: #{$link-hover-color-dark};\n    --#{$prefix}link-color-rgb: #{to-rgb($link-color-dark)};\n    --#{$prefix}link-hover-color-rgb: #{to-rgb($link-hover-color-dark)};\n\n    --#{$prefix}code-color: #{$code-color-dark};\n    --#{$prefix}highlight-color: #{$mark-color-dark};\n    --#{$prefix}highlight-bg: #{$mark-bg-dark};\n\n    --#{$prefix}border-color: #{$border-color-dark};\n    --#{$prefix}border-color-translucent: #{$border-color-translucent-dark};\n\n    --#{$prefix}form-valid-color: #{$form-valid-color-dark};\n    --#{$prefix}form-valid-border-color: #{$form-valid-border-color-dark};\n    --#{$prefix}form-invalid-color: #{$form-invalid-color-dark};\n    --#{$prefix}form-invalid-border-color: #{$form-invalid-border-color-dark};\n    // scss-docs-end root-dark-mode-vars\n  }\n}\n","// stylelint-disable scss/dimension-no-non-numeric-values\n\n// SCSS RFS mixin\n//\n// Automated responsive values for font sizes, paddings, margins and much more\n//\n// Licensed under MIT (https://github.com/twbs/rfs/blob/main/LICENSE)\n\n// Configuration\n\n// Base value\n$rfs-base-value: 1.25rem !default;\n$rfs-unit: rem !default;\n\n@if $rfs-unit != rem and $rfs-unit != px {\n  @error \"`#{$rfs-unit}` is not a valid unit for $rfs-unit. Use `px` or `rem`.\";\n}\n\n// Breakpoint at where values start decreasing if screen width is smaller\n$rfs-breakpoint: 1200px !default;\n$rfs-breakpoint-unit: px !default;\n\n@if $rfs-breakpoint-unit != px and $rfs-breakpoint-unit != em and $rfs-breakpoint-unit != rem {\n  @error \"`#{$rfs-breakpoint-unit}` is not a valid unit for $rfs-breakpoint-unit. Use `px`, `em` or `rem`.\";\n}\n\n// Resize values based on screen height and width\n$rfs-two-dimensional: false !default;\n\n// Factor of decrease\n$rfs-factor: 10 !default;\n\n@if type-of($rfs-factor) != number or $rfs-factor <= 1 {\n  @error \"`#{$rfs-factor}` is not a valid  $rfs-factor, it must be greater than 1.\";\n}\n\n// Mode. Possibilities: \"min-media-query\", \"max-media-query\"\n$rfs-mode: min-media-query !default;\n\n// Generate enable or disable classes. Possibilities: false, \"enable\" or \"disable\"\n$rfs-class: false !default;\n\n// 1 rem = $rfs-rem-value px\n$rfs-rem-value: 16 !default;\n\n// Safari iframe resize bug: https://github.com/twbs/rfs/issues/14\n$rfs-safari-iframe-resize-bug-fix: false !default;\n\n// Disable RFS by setting $enable-rfs to false\n$enable-rfs: true !default;\n\n// Cache $rfs-base-value unit\n$rfs-base-value-unit: unit($rfs-base-value);\n\n@function divide($dividend, $divisor, $precision: 10) {\n  $sign: if($dividend > 0 and $divisor > 0 or $dividend < 0 and $divisor < 0, 1, -1);\n  $dividend: abs($dividend);\n  $divisor: abs($divisor);\n  @if $dividend == 0 {\n    @return 0;\n  }\n  @if $divisor == 0 {\n    @error \"Cannot divide by 0\";\n  }\n  $remainder: $dividend;\n  $result: 0;\n  $factor: 10;\n  @while ($remainder > 0 and $precision >= 0) {\n    $quotient: 0;\n    @while ($remainder >= $divisor) {\n      $remainder: $remainder - $divisor;\n      $quotient: $quotient + 1;\n    }\n    $result: $result * 10 + $quotient;\n    $factor: $factor * .1;\n    $remainder: $remainder * 10;\n    $precision: $precision - 1;\n    @if ($precision < 0 and $remainder >= $divisor * 5) {\n      $result: $result + 1;\n    }\n  }\n  $result: $result * $factor * $sign;\n  $dividend-unit: unit($dividend);\n  $divisor-unit: unit($divisor);\n  $unit-map: (\n    \"px\": 1px,\n    \"rem\": 1rem,\n    \"em\": 1em,\n    \"%\": 1%\n  );\n  @if ($dividend-unit != $divisor-unit and map-has-key($unit-map, $dividend-unit)) {\n    $result: $result * map-get($unit-map, $dividend-unit);\n  }\n  @return $result;\n}\n\n// Remove px-unit from $rfs-base-value for calculations\n@if $rfs-base-value-unit == px {\n  $rfs-base-value: divide($rfs-base-value, $rfs-base-value * 0 + 1);\n}\n@else if $rfs-base-value-unit == rem {\n  $rfs-base-value: divide($rfs-base-value, divide($rfs-base-value * 0 + 1, $rfs-rem-value));\n}\n\n// Cache $rfs-breakpoint unit to prevent multiple calls\n$rfs-breakpoint-unit-cache: unit($rfs-breakpoint);\n\n// Remove unit from $rfs-breakpoint for calculations\n@if $rfs-breakpoint-unit-cache == px {\n  $rfs-breakpoint: divide($rfs-breakpoint, $rfs-breakpoint * 0 + 1);\n}\n@else if $rfs-breakpoint-unit-cache == rem or $rfs-breakpoint-unit-cache == \"em\" {\n  $rfs-breakpoint: divide($rfs-breakpoint, divide($rfs-breakpoint * 0 + 1, $rfs-rem-value));\n}\n\n// Calculate the media query value\n$rfs-mq-value: if($rfs-breakpoint-unit == px, #{$rfs-breakpoint}px, #{divide($rfs-breakpoint, $rfs-rem-value)}#{$rfs-breakpoint-unit});\n$rfs-mq-property-width: if($rfs-mode == max-media-query, max-width, min-width);\n$rfs-mq-property-height: if($rfs-mode == max-media-query, max-height, min-height);\n\n// Internal mixin used to determine which media query needs to be used\n@mixin _rfs-media-query {\n  @if $rfs-two-dimensional {\n    @if $rfs-mode == max-media-query {\n      @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}), (#{$rfs-mq-property-height}: #{$rfs-mq-value}) {\n        @content;\n      }\n    }\n    @else {\n      @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}) and (#{$rfs-mq-property-height}: #{$rfs-mq-value}) {\n        @content;\n      }\n    }\n  }\n  @else {\n    @media (#{$rfs-mq-property-width}: #{$rfs-mq-value}) {\n      @content;\n    }\n  }\n}\n\n// Internal mixin that adds disable classes to the selector if needed.\n@mixin _rfs-rule {\n  @if $rfs-class == disable and $rfs-mode == max-media-query {\n    // Adding an extra class increases specificity, which prevents the media query to override the property\n    &,\n    .disable-rfs &,\n    &.disable-rfs {\n      @content;\n    }\n  }\n  @else if $rfs-class == enable and $rfs-mode == min-media-query {\n    .enable-rfs &,\n    &.enable-rfs {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Internal mixin that adds enable classes to the selector if needed.\n@mixin _rfs-media-query-rule {\n\n  @if $rfs-class == enable {\n    @if $rfs-mode == min-media-query {\n      @content;\n    }\n\n    @include _rfs-media-query () {\n      .enable-rfs &,\n      &.enable-rfs {\n        @content;\n      }\n    }\n  }\n  @else {\n    @if $rfs-class == disable and $rfs-mode == min-media-query {\n      .disable-rfs &,\n      &.disable-rfs {\n        @content;\n      }\n    }\n    @include _rfs-media-query () {\n      @content;\n    }\n  }\n}\n\n// Helper function to get the formatted non-responsive value\n@function rfs-value($values) {\n  // Convert to list\n  $values: if(type-of($values) != list, ($values,), $values);\n\n  $val: \"\";\n\n  // Loop over each value and calculate value\n  @each $value in $values {\n    @if $value == 0 {\n      $val: $val + \" 0\";\n    }\n    @else {\n      // Cache $value unit\n      $unit: if(type-of($value) == \"number\", unit($value), false);\n\n      @if $unit == px {\n        // Convert to rem if needed\n        $val: $val + \" \" + if($rfs-unit == rem, #{divide($value, $value * 0 + $rfs-rem-value)}rem, $value);\n      }\n      @else if $unit == rem {\n        // Convert to px if needed\n        $val: $val + \" \" + if($rfs-unit == px, #{divide($value, $value * 0 + 1) * $rfs-rem-value}px, $value);\n      } @else {\n        // If $value isn't a number (like inherit) or $value has a unit (not px or rem, like 1.5em) or $ is 0, just print the value\n        $val: $val + \" \" + $value;\n      }\n    }\n  }\n\n  // Remove first space\n  @return unquote(str-slice($val, 2));\n}\n\n// Helper function to get the responsive value calculated by RFS\n@function rfs-fluid-value($values) {\n  // Convert to list\n  $values: if(type-of($values) != list, ($values,), $values);\n\n  $val: \"\";\n\n  // Loop over each value and calculate value\n  @each $value in $values {\n    @if $value == 0 {\n      $val: $val + \" 0\";\n    } @else {\n      // Cache $value unit\n      $unit: if(type-of($value) == \"number\", unit($value), false);\n\n      // If $value isn't a number (like inherit) or $value has a unit (not px or rem, like 1.5em) or $ is 0, just print the value\n      @if not $unit or $unit != px and $unit != rem {\n        $val: $val + \" \" + $value;\n      } @else {\n        // Remove unit from $value for calculations\n        $value: divide($value, $value * 0 + if($unit == px, 1, divide(1, $rfs-rem-value)));\n\n        // Only add the media query if the value is greater than the minimum value\n        @if abs($value) <= $rfs-base-value or not $enable-rfs {\n          $val: $val + \" \" + if($rfs-unit == rem, #{divide($value, $rfs-rem-value)}rem, #{$value}px);\n        }\n        @else {\n          // Calculate the minimum value\n          $value-min: $rfs-base-value + divide(abs($value) - $rfs-base-value, $rfs-factor);\n\n          // Calculate difference between $value and the minimum value\n          $value-diff: abs($value) - $value-min;\n\n          // Base value formatting\n          $min-width: if($rfs-unit == rem, #{divide($value-min, $rfs-rem-value)}rem, #{$value-min}px);\n\n          // Use negative value if needed\n          $min-width: if($value < 0, -$min-width, $min-width);\n\n          // Use `vmin` if two-dimensional is enabled\n          $variable-unit: if($rfs-two-dimensional, vmin, vw);\n\n          // Calculate the variable width between 0 and $rfs-breakpoint\n          $variable-width: #{divide($value-diff * 100, $rfs-breakpoint)}#{$variable-unit};\n\n          // Return the calculated value\n          $val: $val + \" calc(\" + $min-width + if($value < 0, \" - \", \" + \") + $variable-width + \")\";\n        }\n      }\n    }\n  }\n\n  // Remove first space\n  @return unquote(str-slice($val, 2));\n}\n\n// RFS mixin\n@mixin rfs($values, $property: font-size) {\n  @if $values != null {\n    $val: rfs-value($values);\n    $fluid-val: rfs-fluid-value($values);\n\n    // Do not print the media query if responsive & non-responsive values are the same\n    @if $val == $fluid-val {\n      #{$property}: $val;\n    }\n    @else {\n      @include _rfs-rule () {\n        #{$property}: if($rfs-mode == max-media-query, $val, $fluid-val);\n\n        // Include safari iframe resize fix if needed\n        min-width: if($rfs-safari-iframe-resize-bug-fix, (0 * 1vw), null);\n      }\n\n      @include _rfs-media-query-rule () {\n        #{$property}: if($rfs-mode == max-media-query, $fluid-val, $val);\n      }\n    }\n  }\n}\n\n// Shorthand helper mixins\n@mixin font-size($value) {\n  @include rfs($value);\n}\n\n@mixin padding($value) {\n  @include rfs($value, padding);\n}\n\n@mixin padding-top($value) {\n  @include rfs($value, padding-top);\n}\n\n@mixin padding-right($value) {\n  @include rfs($value, padding-right);\n}\n\n@mixin padding-bottom($value) {\n  @include rfs($value, padding-bottom);\n}\n\n@mixin padding-left($value) {\n  @include rfs($value, padding-left);\n}\n\n@mixin margin($value) {\n  @include rfs($value, margin);\n}\n\n@mixin margin-top($value) {\n  @include rfs($value, margin-top);\n}\n\n@mixin margin-right($value) {\n  @include rfs($value, margin-right);\n}\n\n@mixin margin-bottom($value) {\n  @include rfs($value, margin-bottom);\n}\n\n@mixin margin-left($value) {\n  @include rfs($value, margin-left);\n}\n","// scss-docs-start color-mode-mixin\n@mixin color-mode($mode: light, $root: false) {\n  @if $color-mode-type == \"media-query\" {\n    @if $root == true {\n      @media (prefers-color-scheme: $mode) {\n        :root {\n          @content;\n        }\n      }\n    } @else {\n      @media (prefers-color-scheme: $mode) {\n        @content;\n      }\n    }\n  } @else {\n    [data-bs-theme=\"#{$mode}\"] {\n      @content;\n    }\n  }\n}\n// scss-docs-end color-mode-mixin\n","// stylelint-disable declaration-no-important, selector-no-qualifying-type, property-no-vendor-prefix\n\n\n// Reboot\n//\n// Normalization of HTML elements, manually forked from Normalize.css to remove\n// styles targeting irrelevant browsers while applying new styles.\n//\n// Normalize is licensed MIT. https://github.com/necolas/normalize.css\n\n\n// Document\n//\n// Change from `box-sizing: content-box` so that `width` is not affected by `padding` or `border`.\n\n*,\n*::before,\n*::after {\n  box-sizing: border-box;\n}\n\n\n// Root\n//\n// Ability to the value of the root font sizes, affecting the value of `rem`.\n// null by default, thus nothing is generated.\n\n:root {\n  @if $font-size-root != null {\n    @include font-size(var(--#{$prefix}root-font-size));\n  }\n\n  @if $enable-smooth-scroll {\n    @media (prefers-reduced-motion: no-preference) {\n      scroll-behavior: smooth;\n    }\n  }\n}\n\n\n// Body\n//\n// 1. Remove the margin in all browsers.\n// 2. As a best practice, apply a default `background-color`.\n// 3. Prevent adjustments of font size after orientation changes in iOS.\n// 4. Change the default tap highlight to be completely transparent in iOS.\n\n// scss-docs-start reboot-body-rules\nbody {\n  margin: 0; // 1\n  font-family: var(--#{$prefix}body-font-family);\n  @include font-size(var(--#{$prefix}body-font-size));\n  font-weight: var(--#{$prefix}body-font-weight);\n  line-height: var(--#{$prefix}body-line-height);\n  color: var(--#{$prefix}body-color);\n  text-align: var(--#{$prefix}body-text-align);\n  background-color: var(--#{$prefix}body-bg); // 2\n  -webkit-text-size-adjust: 100%; // 3\n  -webkit-tap-highlight-color: rgba($black, 0); // 4\n}\n// scss-docs-end reboot-body-rules\n\n\n// Content grouping\n//\n// 1. Reset Firefox's gray color\n\nhr {\n  margin: $hr-margin-y 0;\n  color: $hr-color; // 1\n  border: 0;\n  border-top: $hr-border-width solid $hr-border-color;\n  opacity: $hr-opacity;\n}\n\n\n// Typography\n//\n// 1. Remove top margins from headings\n//    By default, `<h1>`-`<h6>` all receive top and bottom margins. We nuke the top\n//    margin for easier control within type scales as it avoids margin collapsing.\n\n%heading {\n  margin-top: 0; // 1\n  margin-bottom: $headings-margin-bottom;\n  font-family: $headings-font-family;\n  font-style: $headings-font-style;\n  font-weight: $headings-font-weight;\n  line-height: $headings-line-height;\n  color: var(--#{$prefix}heading-color);\n}\n\nh1 {\n  @extend %heading;\n  @include font-size($h1-font-size);\n}\n\nh2 {\n  @extend %heading;\n  @include font-size($h2-font-size);\n}\n\nh3 {\n  @extend %heading;\n  @include font-size($h3-font-size);\n}\n\nh4 {\n  @extend %heading;\n  @include font-size($h4-font-size);\n}\n\nh5 {\n  @extend %heading;\n  @include font-size($h5-font-size);\n}\n\nh6 {\n  @extend %heading;\n  @include font-size($h6-font-size);\n}\n\n\n// Reset margins on paragraphs\n//\n// Similarly, the top margin on `<p>`s get reset. However, we also reset the\n// bottom margin to use `rem` units instead of `em`.\n\np {\n  margin-top: 0;\n  margin-bottom: $paragraph-margin-bottom;\n}\n\n\n// Abbreviations\n//\n// 1. Add the correct text decoration in Chrome, Edge, Opera, and Safari.\n// 2. Add explicit cursor to indicate changed behavior.\n// 3. Prevent the text-decoration to be skipped.\n\nabbr[title] {\n  text-decoration: underline dotted; // 1\n  cursor: help; // 2\n  text-decoration-skip-ink: none; // 3\n}\n\n\n// Address\n\naddress {\n  margin-bottom: 1rem;\n  font-style: normal;\n  line-height: inherit;\n}\n\n\n// Lists\n\nol,\nul {\n  padding-left: 2rem;\n}\n\nol,\nul,\ndl {\n  margin-top: 0;\n  margin-bottom: 1rem;\n}\n\nol ol,\nul ul,\nol ul,\nul ol {\n  margin-bottom: 0;\n}\n\ndt {\n  font-weight: $dt-font-weight;\n}\n\n// 1. Undo browser default\n\ndd {\n  margin-bottom: .5rem;\n  margin-left: 0; // 1\n}\n\n\n// Blockquote\n\nblockquote {\n  margin: 0 0 1rem;\n}\n\n\n// Strong\n//\n// Add the correct font weight in Chrome, Edge, and Safari\n\nb,\nstrong {\n  font-weight: $font-weight-bolder;\n}\n\n\n// Small\n//\n// Add the correct font size in all browsers\n\nsmall {\n  @include font-size($small-font-size);\n}\n\n\n// Mark\n\nmark {\n  padding: $mark-padding;\n  color: var(--#{$prefix}highlight-color);\n  background-color: var(--#{$prefix}highlight-bg);\n}\n\n\n// Sub and Sup\n//\n// Prevent `sub` and `sup` elements from affecting the line height in\n// all browsers.\n\nsub,\nsup {\n  position: relative;\n  @include font-size($sub-sup-font-size);\n  line-height: 0;\n  vertical-align: baseline;\n}\n\nsub { bottom: -.25em; }\nsup { top: -.5em; }\n\n\n// Links\n\na {\n  color: rgba(var(--#{$prefix}link-color-rgb), var(--#{$prefix}link-opacity, 1));\n  text-decoration: $link-decoration;\n\n  &:hover {\n    --#{$prefix}link-color-rgb: var(--#{$prefix}link-hover-color-rgb);\n    text-decoration: $link-hover-decoration;\n  }\n}\n\n// And undo these styles for placeholder links/named anchors (without href).\n// It would be more straightforward to just use a[href] in previous block, but that\n// causes specificity issues in many other styles that are too complex to fix.\n// See https://github.com/twbs/bootstrap/issues/19402\n\na:not([href]):not([class]) {\n  &,\n  &:hover {\n    color: inherit;\n    text-decoration: none;\n  }\n}\n\n\n// Code\n\npre,\ncode,\nkbd,\nsamp {\n  font-family: $font-family-code;\n  @include font-size(1em); // Correct the odd `em` font sizing in all browsers.\n}\n\n// 1. Remove browser default top margin\n// 2. Reset browser default of `1em` to use `rem`s\n// 3. Don't allow content to break outside\n\npre {\n  display: block;\n  margin-top: 0; // 1\n  margin-bottom: 1rem; // 2\n  overflow: auto; // 3\n  @include font-size($code-font-size);\n  color: $pre-color;\n\n  // Account for some code outputs that place code tags in pre tags\n  code {\n    @include font-size(inherit);\n    color: inherit;\n    word-break: normal;\n  }\n}\n\ncode {\n  @include font-size($code-font-size);\n  color: var(--#{$prefix}code-color);\n  word-wrap: break-word;\n\n  // Streamline the style when inside anchors to avoid broken underline and more\n  a > & {\n    color: inherit;\n  }\n}\n\nkbd {\n  padding: $kbd-padding-y $kbd-padding-x;\n  @include font-size($kbd-font-size);\n  color: $kbd-color;\n  background-color: $kbd-bg;\n  @include border-radius($border-radius-sm);\n\n  kbd {\n    padding: 0;\n    @include font-size(1em);\n    font-weight: $nested-kbd-font-weight;\n  }\n}\n\n\n// Figures\n//\n// Apply a consistent margin strategy (matches our type styles).\n\nfigure {\n  margin: 0 0 1rem;\n}\n\n\n// Images and content\n\nimg,\nsvg {\n  vertical-align: middle;\n}\n\n\n// Tables\n//\n// Prevent double borders\n\ntable {\n  caption-side: bottom;\n  border-collapse: collapse;\n}\n\ncaption {\n  padding-top: $table-cell-padding-y;\n  padding-bottom: $table-cell-padding-y;\n  color: $table-caption-color;\n  text-align: left;\n}\n\n// 1. Removes font-weight bold by inheriting\n// 2. Matches default `<td>` alignment by inheriting `text-align`.\n// 3. Fix alignment for Safari\n\nth {\n  font-weight: $table-th-font-weight; // 1\n  text-align: inherit; // 2\n  text-align: -webkit-match-parent; // 3\n}\n\nthead,\ntbody,\ntfoot,\ntr,\ntd,\nth {\n  border-color: inherit;\n  border-style: solid;\n  border-width: 0;\n}\n\n\n// Forms\n//\n// 1. Allow labels to use `margin` for spacing.\n\nlabel {\n  display: inline-block; // 1\n}\n\n// Remove the default `border-radius` that macOS Chrome adds.\n// See https://github.com/twbs/bootstrap/issues/24093\n\nbutton {\n  // stylelint-disable-next-line property-disallowed-list\n  border-radius: 0;\n}\n\n// Explicitly remove focus outline in Chromium when it shouldn't be\n// visible (e.g. as result of mouse click or touch tap). It already\n// should be doing this automatically, but seems to currently be\n// confused and applies its very visible two-tone outline anyway.\n\nbutton:focus:not(:focus-visible) {\n  outline: 0;\n}\n\n// 1. Remove the margin in Firefox and Safari\n\ninput,\nbutton,\nselect,\noptgroup,\ntextarea {\n  margin: 0; // 1\n  font-family: inherit;\n  @include font-size(inherit);\n  line-height: inherit;\n}\n\n// Remove the inheritance of text transform in Firefox\nbutton,\nselect {\n  text-transform: none;\n}\n// Set the cursor for non-`<button>` buttons\n//\n// Details at https://github.com/twbs/bootstrap/pull/30562\n[role=\"button\"] {\n  cursor: pointer;\n}\n\nselect {\n  // Remove the inheritance of word-wrap in Safari.\n  // See https://github.com/twbs/bootstrap/issues/24990\n  word-wrap: normal;\n\n  // Undo the opacity change from Chrome\n  &:disabled {\n    opacity: 1;\n  }\n}\n\n// Remove the dropdown arrow only from text type inputs built with datalists in Chrome.\n// See https://stackoverflow.com/a/54997118\n\n[list]:not([type=\"date\"]):not([type=\"datetime-local\"]):not([type=\"month\"]):not([type=\"week\"]):not([type=\"time\"])::-webkit-calendar-picker-indicator {\n  display: none !important;\n}\n\n// 1. Prevent a WebKit bug where (2) destroys native `audio` and `video`\n//    controls in Android 4.\n// 2. Correct the inability to style clickable types in iOS and Safari.\n// 3. Opinionated: add \"hand\" cursor to non-disabled button elements.\n\nbutton,\n[type=\"button\"], // 1\n[type=\"reset\"],\n[type=\"submit\"] {\n  -webkit-appearance: button; // 2\n\n  @if $enable-button-pointers {\n    &:not(:disabled) {\n      cursor: pointer; // 3\n    }\n  }\n}\n\n// Remove inner border and padding from Firefox, but don't restore the outline like Normalize.\n\n::-moz-focus-inner {\n  padding: 0;\n  border-style: none;\n}\n\n// 1. Textareas should really only resize vertically so they don't break their (horizontal) containers.\n\ntextarea {\n  resize: vertical; // 1\n}\n\n// 1. Browsers set a default `min-width: min-content;` on fieldsets,\n//    unlike e.g. `<div>`s, which have `min-width: 0;` by default.\n//    So we reset that to ensure fieldsets behave more like a standard block element.\n//    See https://github.com/twbs/bootstrap/issues/12359\n//    and https://html.spec.whatwg.org/multipage/#the-fieldset-and-legend-elements\n// 2. Reset the default outline behavior of fieldsets so they don't affect page layout.\n\nfieldset {\n  min-width: 0; // 1\n  padding: 0; // 2\n  margin: 0; // 2\n  border: 0; // 2\n}\n\n// 1. By using `float: left`, the legend will behave like a block element.\n//    This way the border of a fieldset wraps around the legend if present.\n// 2. Fix wrapping bug.\n//    See https://github.com/twbs/bootstrap/issues/29712\n\nlegend {\n  float: left; // 1\n  width: 100%;\n  padding: 0;\n  margin-bottom: $legend-margin-bottom;\n  @include font-size($legend-font-size);\n  font-weight: $legend-font-weight;\n  line-height: inherit;\n\n  + * {\n    clear: left; // 2\n  }\n}\n\n// Fix height of inputs with a type of datetime-local, date, month, week, or time\n// See https://github.com/twbs/bootstrap/issues/18842\n\n::-webkit-datetime-edit-fields-wrapper,\n::-webkit-datetime-edit-text,\n::-webkit-datetime-edit-minute,\n::-webkit-datetime-edit-hour-field,\n::-webkit-datetime-edit-day-field,\n::-webkit-datetime-edit-month-field,\n::-webkit-datetime-edit-year-field {\n  padding: 0;\n}\n\n::-webkit-inner-spin-button {\n  height: auto;\n}\n\n// 1. This overrides the extra rounded corners on search inputs in iOS so that our\n//    `.form-control` class can properly style them. Note that this cannot simply\n//    be added to `.form-control` as it's not specific enough. For details, see\n//    https://github.com/twbs/bootstrap/issues/11586.\n// 2. Correct the outline style in Safari.\n\n[type=\"search\"] {\n  -webkit-appearance: textfield; // 1\n  outline-offset: -2px; // 2\n}\n\n// 1. A few input types should stay LTR\n// See https://rtlstyling.com/posts/rtl-styling#form-inputs\n// 2. RTL only output\n// See https://rtlcss.com/learn/usage-guide/control-directives/#raw\n\n/* rtl:raw:\n[type=\"tel\"],\n[type=\"url\"],\n[type=\"email\"],\n[type=\"number\"] {\n  direction: ltr;\n}\n*/\n\n// Remove the inner padding in Chrome and Safari on macOS.\n\n::-webkit-search-decoration {\n  -webkit-appearance: none;\n}\n\n// Remove padding around color pickers in webkit browsers\n\n::-webkit-color-swatch-wrapper {\n  padding: 0;\n}\n\n\n// 1. Inherit font family and line height for file input buttons\n// 2. Correct the inability to style clickable types in iOS and Safari.\n\n::file-selector-button {\n  font: inherit; // 1\n  -webkit-appearance: button; // 2\n}\n\n// Correct element displays\n\noutput {\n  display: inline-block;\n}\n\n// Remove border from iframe\n\niframe {\n  border: 0;\n}\n\n// Summary\n//\n// 1. Add the correct display in all browsers\n\nsummary {\n  display: list-item; // 1\n  cursor: pointer;\n}\n\n\n// Progress\n//\n// Add the correct vertical alignment in Chrome, Firefox, and Opera.\n\nprogress {\n  vertical-align: baseline;\n}\n\n\n// Hidden attribute\n//\n// Always hide an element with the `hidden` HTML attribute.\n\n[hidden] {\n  display: none !important;\n}\n","// Variables\n//\n// Variables should follow the `$component-state-property-size` formula for\n// consistent naming. Ex: $nav-link-disabled-color and $modal-content-box-shadow-xs.\n\n// Color system\n\n// scss-docs-start gray-color-variables\n$white:    #fff !default;\n$gray-100: #f8f9fa !default;\n$gray-200: #e9ecef !default;\n$gray-300: #dee2e6 !default;\n$gray-400: #ced4da !default;\n$gray-500: #adb5bd !default;\n$gray-600: #6c757d !default;\n$gray-700: #495057 !default;\n$gray-800: #343a40 !default;\n$gray-900: #212529 !default;\n$black:    #000 !default;\n// scss-docs-end gray-color-variables\n\n// fusv-disable\n// scss-docs-start gray-colors-map\n$grays: (\n  \"100\": $gray-100,\n  \"200\": $gray-200,\n  \"300\": $gray-300,\n  \"400\": $gray-400,\n  \"500\": $gray-500,\n  \"600\": $gray-600,\n  \"700\": $gray-700,\n  \"800\": $gray-800,\n  \"900\": $gray-900\n) !default;\n// scss-docs-end gray-colors-map\n// fusv-enable\n\n// scss-docs-start color-variables\n$blue:    #0d6efd !default;\n$indigo:  #6610f2 !default;\n$purple:  #6f42c1 !default;\n$pink:    #d63384 !default;\n$red:     #dc3545 !default;\n$orange:  #fd7e14 !default;\n$yellow:  #ffc107 !default;\n$green:   #198754 !default;\n$teal:    #20c997 !default;\n$cyan:    #0dcaf0 !default;\n// scss-docs-end color-variables\n\n// scss-docs-start colors-map\n$colors: (\n  \"blue\":       $blue,\n  \"indigo\":     $indigo,\n  \"purple\":     $purple,\n  \"pink\":       $pink,\n  \"red\":        $red,\n  \"orange\":     $orange,\n  \"yellow\":     $yellow,\n  \"green\":      $green,\n  \"teal\":       $teal,\n  \"cyan\":       $cyan,\n  \"black\":      $black,\n  \"white\":      $white,\n  \"gray\":       $gray-600,\n  \"gray-dark\":  $gray-800\n) !default;\n// scss-docs-end colors-map\n\n// The contrast ratio to reach against white, to determine if color changes from \"light\" to \"dark\". Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n$min-contrast-ratio:   4.5 !default;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$color-contrast-dark:      $black !default;\n$color-contrast-light:     $white !default;\n\n// fusv-disable\n$blue-100: tint-color($blue, 80%) !default;\n$blue-200: tint-color($blue, 60%) !default;\n$blue-300: tint-color($blue, 40%) !default;\n$blue-400: tint-color($blue, 20%) !default;\n$blue-500: $blue !default;\n$blue-600: shade-color($blue, 20%) !default;\n$blue-700: shade-color($blue, 40%) !default;\n$blue-800: shade-color($blue, 60%) !default;\n$blue-900: shade-color($blue, 80%) !default;\n\n$indigo-100: tint-color($indigo, 80%) !default;\n$indigo-200: tint-color($indigo, 60%) !default;\n$indigo-300: tint-color($indigo, 40%) !default;\n$indigo-400: tint-color($indigo, 20%) !default;\n$indigo-500: $indigo !default;\n$indigo-600: shade-color($indigo, 20%) !default;\n$indigo-700: shade-color($indigo, 40%) !default;\n$indigo-800: shade-color($indigo, 60%) !default;\n$indigo-900: shade-color($indigo, 80%) !default;\n\n$purple-100: tint-color($purple, 80%) !default;\n$purple-200: tint-color($purple, 60%) !default;\n$purple-300: tint-color($purple, 40%) !default;\n$purple-400: tint-color($purple, 20%) !default;\n$purple-500: $purple !default;\n$purple-600: shade-color($purple, 20%) !default;\n$purple-700: shade-color($purple, 40%) !default;\n$purple-800: shade-color($purple, 60%) !default;\n$purple-900: shade-color($purple, 80%) !default;\n\n$pink-100: tint-color($pink, 80%) !default;\n$pink-200: tint-color($pink, 60%) !default;\n$pink-300: tint-color($pink, 40%) !default;\n$pink-400: tint-color($pink, 20%) !default;\n$pink-500: $pink !default;\n$pink-600: shade-color($pink, 20%) !default;\n$pink-700: shade-color($pink, 40%) !default;\n$pink-800: shade-color($pink, 60%) !default;\n$pink-900: shade-color($pink, 80%) !default;\n\n$red-100: tint-color($red, 80%) !default;\n$red-200: tint-color($red, 60%) !default;\n$red-300: tint-color($red, 40%) !default;\n$red-400: tint-color($red, 20%) !default;\n$red-500: $red !default;\n$red-600: shade-color($red, 20%) !default;\n$red-700: shade-color($red, 40%) !default;\n$red-800: shade-color($red, 60%) !default;\n$red-900: shade-color($red, 80%) !default;\n\n$orange-100: tint-color($orange, 80%) !default;\n$orange-200: tint-color($orange, 60%) !default;\n$orange-300: tint-color($orange, 40%) !default;\n$orange-400: tint-color($orange, 20%) !default;\n$orange-500: $orange !default;\n$orange-600: shade-color($orange, 20%) !default;\n$orange-700: shade-color($orange, 40%) !default;\n$orange-800: shade-color($orange, 60%) !default;\n$orange-900: shade-color($orange, 80%) !default;\n\n$yellow-100: tint-color($yellow, 80%) !default;\n$yellow-200: tint-color($yellow, 60%) !default;\n$yellow-300: tint-color($yellow, 40%) !default;\n$yellow-400: tint-color($yellow, 20%) !default;\n$yellow-500: $yellow !default;\n$yellow-600: shade-color($yellow, 20%) !default;\n$yellow-700: shade-color($yellow, 40%) !default;\n$yellow-800: shade-color($yellow, 60%) !default;\n$yellow-900: shade-color($yellow, 80%) !default;\n\n$green-100: tint-color($green, 80%) !default;\n$green-200: tint-color($green, 60%) !default;\n$green-300: tint-color($green, 40%) !default;\n$green-400: tint-color($green, 20%) !default;\n$green-500: $green !default;\n$green-600: shade-color($green, 20%) !default;\n$green-700: shade-color($green, 40%) !default;\n$green-800: shade-color($green, 60%) !default;\n$green-900: shade-color($green, 80%) !default;\n\n$teal-100: tint-color($teal, 80%) !default;\n$teal-200: tint-color($teal, 60%) !default;\n$teal-300: tint-color($teal, 40%) !default;\n$teal-400: tint-color($teal, 20%) !default;\n$teal-500: $teal !default;\n$teal-600: shade-color($teal, 20%) !default;\n$teal-700: shade-color($teal, 40%) !default;\n$teal-800: shade-color($teal, 60%) !default;\n$teal-900: shade-color($teal, 80%) !default;\n\n$cyan-100: tint-color($cyan, 80%) !default;\n$cyan-200: tint-color($cyan, 60%) !default;\n$cyan-300: tint-color($cyan, 40%) !default;\n$cyan-400: tint-color($cyan, 20%) !default;\n$cyan-500: $cyan !default;\n$cyan-600: shade-color($cyan, 20%) !default;\n$cyan-700: shade-color($cyan, 40%) !default;\n$cyan-800: shade-color($cyan, 60%) !default;\n$cyan-900: shade-color($cyan, 80%) !default;\n\n$blues: (\n  \"blue-100\": $blue-100,\n  \"blue-200\": $blue-200,\n  \"blue-300\": $blue-300,\n  \"blue-400\": $blue-400,\n  \"blue-500\": $blue-500,\n  \"blue-600\": $blue-600,\n  \"blue-700\": $blue-700,\n  \"blue-800\": $blue-800,\n  \"blue-900\": $blue-900\n) !default;\n\n$indigos: (\n  \"indigo-100\": $indigo-100,\n  \"indigo-200\": $indigo-200,\n  \"indigo-300\": $indigo-300,\n  \"indigo-400\": $indigo-400,\n  \"indigo-500\": $indigo-500,\n  \"indigo-600\": $indigo-600,\n  \"indigo-700\": $indigo-700,\n  \"indigo-800\": $indigo-800,\n  \"indigo-900\": $indigo-900\n) !default;\n\n$purples: (\n  \"purple-100\": $purple-100,\n  \"purple-200\": $purple-200,\n  \"purple-300\": $purple-300,\n  \"purple-400\": $purple-400,\n  \"purple-500\": $purple-500,\n  \"purple-600\": $purple-600,\n  \"purple-700\": $purple-700,\n  \"purple-800\": $purple-800,\n  \"purple-900\": $purple-900\n) !default;\n\n$pinks: (\n  \"pink-100\": $pink-100,\n  \"pink-200\": $pink-200,\n  \"pink-300\": $pink-300,\n  \"pink-400\": $pink-400,\n  \"pink-500\": $pink-500,\n  \"pink-600\": $pink-600,\n  \"pink-700\": $pink-700,\n  \"pink-800\": $pink-800,\n  \"pink-900\": $pink-900\n) !default;\n\n$reds: (\n  \"red-100\": $red-100,\n  \"red-200\": $red-200,\n  \"red-300\": $red-300,\n  \"red-400\": $red-400,\n  \"red-500\": $red-500,\n  \"red-600\": $red-600,\n  \"red-700\": $red-700,\n  \"red-800\": $red-800,\n  \"red-900\": $red-900\n) !default;\n\n$oranges: (\n  \"orange-100\": $orange-100,\n  \"orange-200\": $orange-200,\n  \"orange-300\": $orange-300,\n  \"orange-400\": $orange-400,\n  \"orange-500\": $orange-500,\n  \"orange-600\": $orange-600,\n  \"orange-700\": $orange-700,\n  \"orange-800\": $orange-800,\n  \"orange-900\": $orange-900\n) !default;\n\n$yellows: (\n  \"yellow-100\": $yellow-100,\n  \"yellow-200\": $yellow-200,\n  \"yellow-300\": $yellow-300,\n  \"yellow-400\": $yellow-400,\n  \"yellow-500\": $yellow-500,\n  \"yellow-600\": $yellow-600,\n  \"yellow-700\": $yellow-700,\n  \"yellow-800\": $yellow-800,\n  \"yellow-900\": $yellow-900\n) !default;\n\n$greens: (\n  \"green-100\": $green-100,\n  \"green-200\": $green-200,\n  \"green-300\": $green-300,\n  \"green-400\": $green-400,\n  \"green-500\": $green-500,\n  \"green-600\": $green-600,\n  \"green-700\": $green-700,\n  \"green-800\": $green-800,\n  \"green-900\": $green-900\n) !default;\n\n$teals: (\n  \"teal-100\": $teal-100,\n  \"teal-200\": $teal-200,\n  \"teal-300\": $teal-300,\n  \"teal-400\": $teal-400,\n  \"teal-500\": $teal-500,\n  \"teal-600\": $teal-600,\n  \"teal-700\": $teal-700,\n  \"teal-800\": $teal-800,\n  \"teal-900\": $teal-900\n) !default;\n\n$cyans: (\n  \"cyan-100\": $cyan-100,\n  \"cyan-200\": $cyan-200,\n  \"cyan-300\": $cyan-300,\n  \"cyan-400\": $cyan-400,\n  \"cyan-500\": $cyan-500,\n  \"cyan-600\": $cyan-600,\n  \"cyan-700\": $cyan-700,\n  \"cyan-800\": $cyan-800,\n  \"cyan-900\": $cyan-900\n) !default;\n// fusv-enable\n\n// scss-docs-start theme-color-variables\n$primary:       $blue !default;\n$secondary:     $gray-600 !default;\n$success:       $green !default;\n$info:          $cyan !default;\n$warning:       $yellow !default;\n$danger:        $red !default;\n$light:         $gray-100 !default;\n$dark:          $gray-900 !default;\n// scss-docs-end theme-color-variables\n\n// scss-docs-start theme-colors-map\n$theme-colors: (\n  \"primary\":    $primary,\n  \"secondary\":  $secondary,\n  \"success\":    $success,\n  \"info\":       $info,\n  \"warning\":    $warning,\n  \"danger\":     $danger,\n  \"light\":      $light,\n  \"dark\":       $dark\n) !default;\n// scss-docs-end theme-colors-map\n\n// scss-docs-start theme-text-variables\n$primary-text-emphasis:   shade-color($primary, 60%) !default;\n$secondary-text-emphasis: shade-color($secondary, 60%) !default;\n$success-text-emphasis:   shade-color($success, 60%) !default;\n$info-text-emphasis:      shade-color($info, 60%) !default;\n$warning-text-emphasis:   shade-color($warning, 60%) !default;\n$danger-text-emphasis:    shade-color($danger, 60%) !default;\n$light-text-emphasis:     $gray-700 !default;\n$dark-text-emphasis:      $gray-700 !default;\n// scss-docs-end theme-text-variables\n\n// scss-docs-start theme-bg-subtle-variables\n$primary-bg-subtle:       tint-color($primary, 80%) !default;\n$secondary-bg-subtle:     tint-color($secondary, 80%) !default;\n$success-bg-subtle:       tint-color($success, 80%) !default;\n$info-bg-subtle:          tint-color($info, 80%) !default;\n$warning-bg-subtle:       tint-color($warning, 80%) !default;\n$danger-bg-subtle:        tint-color($danger, 80%) !default;\n$light-bg-subtle:         mix($gray-100, $white) !default;\n$dark-bg-subtle:          $gray-400 !default;\n// scss-docs-end theme-bg-subtle-variables\n\n// scss-docs-start theme-border-subtle-variables\n$primary-border-subtle:   tint-color($primary, 60%) !default;\n$secondary-border-subtle: tint-color($secondary, 60%) !default;\n$success-border-subtle:   tint-color($success, 60%) !default;\n$info-border-subtle:      tint-color($info, 60%) !default;\n$warning-border-subtle:   tint-color($warning, 60%) !default;\n$danger-border-subtle:    tint-color($danger, 60%) !default;\n$light-border-subtle:     $gray-200 !default;\n$dark-border-subtle:      $gray-500 !default;\n// scss-docs-end theme-border-subtle-variables\n\n// Characters which are escaped by the escape-svg function\n$escaped-characters: (\n  (\"<\", \"%3c\"),\n  (\">\", \"%3e\"),\n  (\"#\", \"%23\"),\n  (\"(\", \"%28\"),\n  (\")\", \"%29\"),\n) !default;\n\n// Options\n//\n// Quickly modify global styling by enabling or disabling optional features.\n\n$enable-caret:                true !default;\n$enable-rounded:              true !default;\n$enable-shadows:              false !default;\n$enable-gradients:            false !default;\n$enable-transitions:          true !default;\n$enable-reduced-motion:       true !default;\n$enable-smooth-scroll:        true !default;\n$enable-grid-classes:         true !default;\n$enable-container-classes:    true !default;\n$enable-cssgrid:              false !default;\n$enable-button-pointers:      true !default;\n$enable-rfs:                  true !default;\n$enable-validation-icons:     true !default;\n$enable-negative-margins:     false !default;\n$enable-deprecation-messages: true !default;\n$enable-important-utilities:  true !default;\n\n$enable-dark-mode:            true !default;\n$color-mode-type:             data !default; // `data` or `media-query`\n\n// Prefix for :root CSS variables\n\n$variable-prefix:             bs- !default; // Deprecated in v5.2.0 for the shorter `$prefix`\n$prefix:                      $variable-prefix !default;\n\n// Gradient\n//\n// The gradient which is added to components if `$enable-gradients` is `true`\n// This gradient is also added to elements with `.bg-gradient`\n// scss-docs-start variable-gradient\n$gradient: linear-gradient(180deg, rgba($white, .15), rgba($white, 0)) !default;\n// scss-docs-end variable-gradient\n\n// Spacing\n//\n// Control the default styling of most Bootstrap elements by modifying these\n// variables. Mostly focused on spacing.\n// You can add more entries to the $spacers map, should you need more variation.\n\n// scss-docs-start spacer-variables-maps\n$spacer: 1rem !default;\n$spacers: (\n  0: 0,\n  1: $spacer * .25,\n  2: $spacer * .5,\n  3: $spacer,\n  4: $spacer * 1.5,\n  5: $spacer * 3,\n) !default;\n// scss-docs-end spacer-variables-maps\n\n// Position\n//\n// Define the edge positioning anchors of the position utilities.\n\n// scss-docs-start position-map\n$position-values: (\n  0: 0,\n  50: 50%,\n  100: 100%\n) !default;\n// scss-docs-end position-map\n\n// Body\n//\n// Settings for the `<body>` element.\n\n$body-text-align:           null !default;\n$body-color:                $gray-900 !default;\n$body-bg:                   $white !default;\n\n$body-secondary-color:      rgba($body-color, .75) !default;\n$body-secondary-bg:         $gray-200 !default;\n\n$body-tertiary-color:       rgba($body-color, .5) !default;\n$body-tertiary-bg:          $gray-100 !default;\n\n$body-emphasis-color:       $black !default;\n\n// Links\n//\n// Style anchor elements.\n\n$link-color:                              $primary !default;\n$link-decoration:                         underline !default;\n$link-shade-percentage:                   20% !default;\n$link-hover-color:                        shift-color($link-color, $link-shade-percentage) !default;\n$link-hover-decoration:                   null !default;\n\n$stretched-link-pseudo-element:           after !default;\n$stretched-link-z-index:                  1 !default;\n\n// Icon links\n// scss-docs-start icon-link-variables\n$icon-link-gap:               .375rem !default;\n$icon-link-underline-offset:  .25em !default;\n$icon-link-icon-size:         1em !default;\n$icon-link-icon-transition:   .2s ease-in-out transform !default;\n$icon-link-icon-transform:    translate3d(.25em, 0, 0) !default;\n// scss-docs-end icon-link-variables\n\n// Paragraphs\n//\n// Style p element.\n\n$paragraph-margin-bottom:   1rem !default;\n\n\n// Grid breakpoints\n//\n// Define the minimum dimensions at which your layout will change,\n// adapting to different screen sizes, for use in media queries.\n\n// scss-docs-start grid-breakpoints\n$grid-breakpoints: (\n  xs: 0,\n  sm: 576px,\n  md: 768px,\n  lg: 992px,\n  xl: 1200px,\n  xxl: 1400px\n) !default;\n// scss-docs-end grid-breakpoints\n\n@include _assert-ascending($grid-breakpoints, \"$grid-breakpoints\");\n@include _assert-starts-at-zero($grid-breakpoints, \"$grid-breakpoints\");\n\n\n// Grid containers\n//\n// Define the maximum width of `.container` for different screen sizes.\n\n// scss-docs-start container-max-widths\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1140px,\n  xxl: 1320px\n) !default;\n// scss-docs-end container-max-widths\n\n@include _assert-ascending($container-max-widths, \"$container-max-widths\");\n\n\n// Grid columns\n//\n// Set the number of columns and specify the width of the gutters.\n\n$grid-columns:                12 !default;\n$grid-gutter-width:           1.5rem !default;\n$grid-row-columns:            6 !default;\n\n// Container padding\n\n$container-padding-x: $grid-gutter-width !default;\n\n\n// Components\n//\n// Define common padding and border radius sizes and more.\n\n// scss-docs-start border-variables\n$border-width:                1px !default;\n$border-widths: (\n  1: 1px,\n  2: 2px,\n  3: 3px,\n  4: 4px,\n  5: 5px\n) !default;\n$border-style:                solid !default;\n$border-color:                $gray-300 !default;\n$border-color-translucent:    rgba($black, .175) !default;\n// scss-docs-end border-variables\n\n// scss-docs-start border-radius-variables\n$border-radius:               .375rem !default;\n$border-radius-sm:            .25rem !default;\n$border-radius-lg:            .5rem !default;\n$border-radius-xl:            1rem !default;\n$border-radius-xxl:           2rem !default;\n$border-radius-pill:          50rem !default;\n// scss-docs-end border-radius-variables\n// fusv-disable\n$border-radius-2xl:           $border-radius-xxl !default; // Deprecated in v5.3.0\n// fusv-enable\n\n// scss-docs-start box-shadow-variables\n$box-shadow:                  0 .5rem 1rem rgba($black, .15) !default;\n$box-shadow-sm:               0 .125rem .25rem rgba($black, .075) !default;\n$box-shadow-lg:               0 1rem 3rem rgba($black, .175) !default;\n$box-shadow-inset:            inset 0 1px 2px rgba($black, .075) !default;\n// scss-docs-end box-shadow-variables\n\n$component-active-color:      $white !default;\n$component-active-bg:         $primary !default;\n\n// scss-docs-start focus-ring-variables\n$focus-ring-width:      .25rem !default;\n$focus-ring-opacity:    .25 !default;\n$focus-ring-color:      rgba($primary, $focus-ring-opacity) !default;\n$focus-ring-blur:       0 !default;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color !default;\n// scss-docs-end focus-ring-variables\n\n// scss-docs-start caret-variables\n$caret-width:                 .3em !default;\n$caret-vertical-align:        $caret-width * .85 !default;\n$caret-spacing:               $caret-width * .85 !default;\n// scss-docs-end caret-variables\n\n$transition-base:             all .2s ease-in-out !default;\n$transition-fade:             opacity .15s linear !default;\n// scss-docs-start collapse-transition\n$transition-collapse:         height .35s ease !default;\n$transition-collapse-width:   width .35s ease !default;\n// scss-docs-end collapse-transition\n\n// stylelint-disable function-disallowed-list\n// scss-docs-start aspect-ratios\n$aspect-ratios: (\n  \"1x1\": 100%,\n  \"4x3\": calc(3 / 4 * 100%),\n  \"16x9\": calc(9 / 16 * 100%),\n  \"21x9\": calc(9 / 21 * 100%)\n) !default;\n// scss-docs-end aspect-ratios\n// stylelint-enable function-disallowed-list\n\n// Typography\n//\n// Font, line-height, and color for body text, headings, and more.\n\n// scss-docs-start font-variables\n// stylelint-disable value-keyword-case\n$font-family-sans-serif:      system-ui, -apple-system, \"Segoe UI\", Roboto, \"Helvetica Neue\", \"Noto Sans\", \"Liberation Sans\", Arial, sans-serif, \"Apple Color Emoji\", \"Segoe UI Emoji\", \"Segoe UI Symbol\", \"Noto Color Emoji\" !default;\n$font-family-monospace:       SFMono-Regular, Menlo, Monaco, Consolas, \"Liberation Mono\", \"Courier New\", monospace !default;\n// stylelint-enable value-keyword-case\n$font-family-base:            var(--#{$prefix}font-sans-serif) !default;\n$font-family-code:            var(--#{$prefix}font-monospace) !default;\n\n// $font-size-root affects the value of `rem`, which is used for as well font sizes, paddings, and margins\n// $font-size-base affects the font size of the body text\n$font-size-root:              null !default;\n$font-size-base:              1rem !default; // Assumes the browser default, typically `16px`\n$font-size-sm:                $font-size-base * .875 !default;\n$font-size-lg:                $font-size-base * 1.25 !default;\n\n$font-weight-lighter:         lighter !default;\n$font-weight-light:           300 !default;\n$font-weight-normal:          400 !default;\n$font-weight-medium:          500 !default;\n$font-weight-semibold:        600 !default;\n$font-weight-bold:            700 !default;\n$font-weight-bolder:          bolder !default;\n\n$font-weight-base:            $font-weight-normal !default;\n\n$line-height-base:            1.5 !default;\n$line-height-sm:              1.25 !default;\n$line-height-lg:              2 !default;\n\n$h1-font-size:                $font-size-base * 2.5 !default;\n$h2-font-size:                $font-size-base * 2 !default;\n$h3-font-size:                $font-size-base * 1.75 !default;\n$h4-font-size:                $font-size-base * 1.5 !default;\n$h5-font-size:                $font-size-base * 1.25 !default;\n$h6-font-size:                $font-size-base !default;\n// scss-docs-end font-variables\n\n// scss-docs-start font-sizes\n$font-sizes: (\n  1: $h1-font-size,\n  2: $h2-font-size,\n  3: $h3-font-size,\n  4: $h4-font-size,\n  5: $h5-font-size,\n  6: $h6-font-size\n) !default;\n// scss-docs-end font-sizes\n\n// scss-docs-start headings-variables\n$headings-margin-bottom:      $spacer * .5 !default;\n$headings-font-family:        null !default;\n$headings-font-style:         null !default;\n$headings-font-weight:        500 !default;\n$headings-line-height:        1.2 !default;\n$headings-color:              inherit !default;\n// scss-docs-end headings-variables\n\n// scss-docs-start display-headings\n$display-font-sizes: (\n  1: 5rem,\n  2: 4.5rem,\n  3: 4rem,\n  4: 3.5rem,\n  5: 3rem,\n  6: 2.5rem\n) !default;\n\n$display-font-family: null !default;\n$display-font-style:  null !default;\n$display-font-weight: 300 !default;\n$display-line-height: $headings-line-height !default;\n// scss-docs-end display-headings\n\n// scss-docs-start type-variables\n$lead-font-size:              $font-size-base * 1.25 !default;\n$lead-font-weight:            300 !default;\n\n$small-font-size:             .875em !default;\n\n$sub-sup-font-size:           .75em !default;\n\n// fusv-disable\n$text-muted:                  var(--#{$prefix}secondary-color) !default; // Deprecated in 5.3.0\n// fusv-enable\n\n$initialism-font-size:        $small-font-size !default;\n\n$blockquote-margin-y:         $spacer !default;\n$blockquote-font-size:        $font-size-base * 1.25 !default;\n$blockquote-footer-color:     $gray-600 !default;\n$blockquote-footer-font-size: $small-font-size !default;\n\n$hr-margin-y:                 $spacer !default;\n$hr-color:                    inherit !default;\n\n// fusv-disable\n$hr-bg-color:                 null !default; // Deprecated in v5.2.0\n$hr-height:                   null !default; // Deprecated in v5.2.0\n// fusv-enable\n\n$hr-border-color:             null !default; // Allows for inherited colors\n$hr-border-width:             var(--#{$prefix}border-width) !default;\n$hr-opacity:                  .25 !default;\n\n// scss-docs-start vr-variables\n$vr-border-width:             var(--#{$prefix}border-width) !default;\n// scss-docs-end vr-variables\n\n$legend-margin-bottom:        .5rem !default;\n$legend-font-size:            1.5rem !default;\n$legend-font-weight:          null !default;\n\n$dt-font-weight:              $font-weight-bold !default;\n\n$list-inline-padding:         .5rem !default;\n\n$mark-padding:                .1875em !default;\n$mark-color:                  $body-color !default;\n$mark-bg:                     $yellow-100 !default;\n// scss-docs-end type-variables\n\n\n// Tables\n//\n// Customizes the `.table` component with basic values, each used across all table variations.\n\n// scss-docs-start table-variables\n$table-cell-padding-y:        .5rem !default;\n$table-cell-padding-x:        .5rem !default;\n$table-cell-padding-y-sm:     .25rem !default;\n$table-cell-padding-x-sm:     .25rem !default;\n\n$table-cell-vertical-align:   top !default;\n\n$table-color:                 var(--#{$prefix}emphasis-color) !default;\n$table-bg:                    var(--#{$prefix}body-bg) !default;\n$table-accent-bg:             transparent !default;\n\n$table-th-font-weight:        null !default;\n\n$table-striped-color:         $table-color !default;\n$table-striped-bg-factor:     .05 !default;\n$table-striped-bg:            rgba(var(--#{$prefix}emphasis-color-rgb), $table-striped-bg-factor) !default;\n\n$table-active-color:          $table-color !default;\n$table-active-bg-factor:      .1 !default;\n$table-active-bg:             rgba(var(--#{$prefix}emphasis-color-rgb), $table-active-bg-factor) !default;\n\n$table-hover-color:           $table-color !default;\n$table-hover-bg-factor:       .075 !default;\n$table-hover-bg:              rgba(var(--#{$prefix}emphasis-color-rgb), $table-hover-bg-factor) !default;\n\n$table-border-factor:         .2 !default;\n$table-border-width:          var(--#{$prefix}border-width) !default;\n$table-border-color:          var(--#{$prefix}border-color) !default;\n\n$table-striped-order:         odd !default;\n$table-striped-columns-order: even !default;\n\n$table-group-separator-color: currentcolor !default;\n\n$table-caption-color:         var(--#{$prefix}secondary-color) !default;\n\n$table-bg-scale:              -80% !default;\n// scss-docs-end table-variables\n\n// scss-docs-start table-loop\n$table-variants: (\n  \"primary\":    shift-color($primary, $table-bg-scale),\n  \"secondary\":  shift-color($secondary, $table-bg-scale),\n  \"success\":    shift-color($success, $table-bg-scale),\n  \"info\":       shift-color($info, $table-bg-scale),\n  \"warning\":    shift-color($warning, $table-bg-scale),\n  \"danger\":     shift-color($danger, $table-bg-scale),\n  \"light\":      $light,\n  \"dark\":       $dark,\n) !default;\n// scss-docs-end table-loop\n\n\n// Buttons + Forms\n//\n// Shared variables that are reassigned to `$input-` and `$btn-` specific variables.\n\n// scss-docs-start input-btn-variables\n$input-btn-padding-y:         .375rem !default;\n$input-btn-padding-x:         .75rem !default;\n$input-btn-font-family:       null !default;\n$input-btn-font-size:         $font-size-base !default;\n$input-btn-line-height:       $line-height-base !default;\n\n$input-btn-focus-width:         $focus-ring-width !default;\n$input-btn-focus-color-opacity: $focus-ring-opacity !default;\n$input-btn-focus-color:         $focus-ring-color !default;\n$input-btn-focus-blur:          $focus-ring-blur !default;\n$input-btn-focus-box-shadow:    $focus-ring-box-shadow !default;\n\n$input-btn-padding-y-sm:      .25rem !default;\n$input-btn-padding-x-sm:      .5rem !default;\n$input-btn-font-size-sm:      $font-size-sm !default;\n\n$input-btn-padding-y-lg:      .5rem !default;\n$input-btn-padding-x-lg:      1rem !default;\n$input-btn-font-size-lg:      $font-size-lg !default;\n\n$input-btn-border-width:      var(--#{$prefix}border-width) !default;\n// scss-docs-end input-btn-variables\n\n\n// Buttons\n//\n// For each of Bootstrap's buttons, define text, background, and border color.\n\n// scss-docs-start btn-variables\n$btn-color:                   var(--#{$prefix}body-color) !default;\n$btn-padding-y:               $input-btn-padding-y !default;\n$btn-padding-x:               $input-btn-padding-x !default;\n$btn-font-family:             $input-btn-font-family !default;\n$btn-font-size:               $input-btn-font-size !default;\n$btn-line-height:             $input-btn-line-height !default;\n$btn-white-space:             null !default; // Set to `nowrap` to prevent text wrapping\n\n$btn-padding-y-sm:            $input-btn-padding-y-sm !default;\n$btn-padding-x-sm:            $input-btn-padding-x-sm !default;\n$btn-font-size-sm:            $input-btn-font-size-sm !default;\n\n$btn-padding-y-lg:            $input-btn-padding-y-lg !default;\n$btn-padding-x-lg:            $input-btn-padding-x-lg !default;\n$btn-font-size-lg:            $input-btn-font-size-lg !default;\n\n$btn-border-width:            $input-btn-border-width !default;\n\n$btn-font-weight:             $font-weight-normal !default;\n$btn-box-shadow:              inset 0 1px 0 rgba($white, .15), 0 1px 1px rgba($black, .075) !default;\n$btn-focus-width:             $input-btn-focus-width !default;\n$btn-focus-box-shadow:        $input-btn-focus-box-shadow !default;\n$btn-disabled-opacity:        .65 !default;\n$btn-active-box-shadow:       inset 0 3px 5px rgba($black, .125) !default;\n\n$btn-link-color:              var(--#{$prefix}link-color) !default;\n$btn-link-hover-color:        var(--#{$prefix}link-hover-color) !default;\n$btn-link-disabled-color:     $gray-600 !default;\n$btn-link-focus-shadow-rgb:   to-rgb(mix(color-contrast($link-color), $link-color, 15%)) !default;\n\n// Allows for customizing button radius independently from global border radius\n$btn-border-radius:           var(--#{$prefix}border-radius) !default;\n$btn-border-radius-sm:        var(--#{$prefix}border-radius-sm) !default;\n$btn-border-radius-lg:        var(--#{$prefix}border-radius-lg) !default;\n\n$btn-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$btn-hover-bg-shade-amount:       15% !default;\n$btn-hover-bg-tint-amount:        15% !default;\n$btn-hover-border-shade-amount:   20% !default;\n$btn-hover-border-tint-amount:    10% !default;\n$btn-active-bg-shade-amount:      20% !default;\n$btn-active-bg-tint-amount:       20% !default;\n$btn-active-border-shade-amount:  25% !default;\n$btn-active-border-tint-amount:   10% !default;\n// scss-docs-end btn-variables\n\n\n// Forms\n\n// scss-docs-start form-text-variables\n$form-text-margin-top:                  .25rem !default;\n$form-text-font-size:                   $small-font-size !default;\n$form-text-font-style:                  null !default;\n$form-text-font-weight:                 null !default;\n$form-text-color:                       var(--#{$prefix}secondary-color) !default;\n// scss-docs-end form-text-variables\n\n// scss-docs-start form-label-variables\n$form-label-margin-bottom:              .5rem !default;\n$form-label-font-size:                  null !default;\n$form-label-font-style:                 null !default;\n$form-label-font-weight:                null !default;\n$form-label-color:                      null !default;\n// scss-docs-end form-label-variables\n\n// scss-docs-start form-input-variables\n$input-padding-y:                       $input-btn-padding-y !default;\n$input-padding-x:                       $input-btn-padding-x !default;\n$input-font-family:                     $input-btn-font-family !default;\n$input-font-size:                       $input-btn-font-size !default;\n$input-font-weight:                     $font-weight-base !default;\n$input-line-height:                     $input-btn-line-height !default;\n\n$input-padding-y-sm:                    $input-btn-padding-y-sm !default;\n$input-padding-x-sm:                    $input-btn-padding-x-sm !default;\n$input-font-size-sm:                    $input-btn-font-size-sm !default;\n\n$input-padding-y-lg:                    $input-btn-padding-y-lg !default;\n$input-padding-x-lg:                    $input-btn-padding-x-lg !default;\n$input-font-size-lg:                    $input-btn-font-size-lg !default;\n\n$input-bg:                              var(--#{$prefix}body-bg) !default;\n$input-disabled-color:                  null !default;\n$input-disabled-bg:                     var(--#{$prefix}secondary-bg) !default;\n$input-disabled-border-color:           null !default;\n\n$input-color:                           var(--#{$prefix}body-color) !default;\n$input-border-color:                    var(--#{$prefix}border-color) !default;\n$input-border-width:                    $input-btn-border-width !default;\n$input-box-shadow:                      var(--#{$prefix}box-shadow-inset) !default;\n\n$input-border-radius:                   var(--#{$prefix}border-radius) !default;\n$input-border-radius-sm:                var(--#{$prefix}border-radius-sm) !default;\n$input-border-radius-lg:                var(--#{$prefix}border-radius-lg) !default;\n\n$input-focus-bg:                        $input-bg !default;\n$input-focus-border-color:              tint-color($component-active-bg, 50%) !default;\n$input-focus-color:                     $input-color !default;\n$input-focus-width:                     $input-btn-focus-width !default;\n$input-focus-box-shadow:                $input-btn-focus-box-shadow !default;\n\n$input-placeholder-color:               var(--#{$prefix}secondary-color) !default;\n$input-plaintext-color:                 var(--#{$prefix}body-color) !default;\n\n$input-height-border:                   calc(#{$input-border-width} * 2) !default; // stylelint-disable-line function-disallowed-list\n\n$input-height-inner:                    add($input-line-height * 1em, $input-padding-y * 2) !default;\n$input-height-inner-half:               add($input-line-height * .5em, $input-padding-y) !default;\n$input-height-inner-quarter:            add($input-line-height * .25em, $input-padding-y * .5) !default;\n\n$input-height:                          add($input-line-height * 1em, add($input-padding-y * 2, $input-height-border, false)) !default;\n$input-height-sm:                       add($input-line-height * 1em, add($input-padding-y-sm * 2, $input-height-border, false)) !default;\n$input-height-lg:                       add($input-line-height * 1em, add($input-padding-y-lg * 2, $input-height-border, false)) !default;\n\n$input-transition:                      border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$form-color-width:                      3rem !default;\n// scss-docs-end form-input-variables\n\n// scss-docs-start form-check-variables\n$form-check-input-width:                  1em !default;\n$form-check-min-height:                   $font-size-base * $line-height-base !default;\n$form-check-padding-start:                $form-check-input-width + .5em !default;\n$form-check-margin-bottom:                .125rem !default;\n$form-check-label-color:                  null !default;\n$form-check-label-cursor:                 null !default;\n$form-check-transition:                   null !default;\n\n$form-check-input-active-filter:          brightness(90%) !default;\n\n$form-check-input-bg:                     $input-bg !default;\n$form-check-input-border:                 var(--#{$prefix}border-width) solid var(--#{$prefix}border-color) !default;\n$form-check-input-border-radius:          .25em !default;\n$form-check-radio-border-radius:          50% !default;\n$form-check-input-focus-border:           $input-focus-border-color !default;\n$form-check-input-focus-box-shadow:       $focus-ring-box-shadow !default;\n\n$form-check-input-checked-color:          $component-active-color !default;\n$form-check-input-checked-bg-color:       $component-active-bg !default;\n$form-check-input-checked-border-color:   $form-check-input-checked-bg-color !default;\n$form-check-input-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-checked-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='m6 10 3 3 6-6'/></svg>\") !default;\n$form-check-radio-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='2' fill='#{$form-check-input-checked-color}'/></svg>\") !default;\n\n$form-check-input-indeterminate-color:          $component-active-color !default;\n$form-check-input-indeterminate-bg-color:       $component-active-bg !default;\n$form-check-input-indeterminate-border-color:   $form-check-input-indeterminate-bg-color !default;\n$form-check-input-indeterminate-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-indeterminate-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='M6 10h8'/></svg>\") !default;\n\n$form-check-input-disabled-opacity:        .5 !default;\n$form-check-label-disabled-opacity:        $form-check-input-disabled-opacity !default;\n$form-check-btn-check-disabled-opacity:    $btn-disabled-opacity !default;\n\n$form-check-inline-margin-end:    1rem !default;\n// scss-docs-end form-check-variables\n\n// scss-docs-start form-switch-variables\n$form-switch-color:               rgba($black, .25) !default;\n$form-switch-width:               2em !default;\n$form-switch-padding-start:       $form-switch-width + .5em !default;\n$form-switch-bg-image:            url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-color}'/></svg>\") !default;\n$form-switch-border-radius:       $form-switch-width !default;\n$form-switch-transition:          background-position .15s ease-in-out !default;\n\n$form-switch-focus-color:         $input-focus-border-color !default;\n$form-switch-focus-bg-image:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-focus-color}'/></svg>\") !default;\n\n$form-switch-checked-color:       $component-active-color !default;\n$form-switch-checked-bg-image:    url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-checked-color}'/></svg>\") !default;\n$form-switch-checked-bg-position: right center !default;\n// scss-docs-end form-switch-variables\n\n// scss-docs-start input-group-variables\n$input-group-addon-padding-y:           $input-padding-y !default;\n$input-group-addon-padding-x:           $input-padding-x !default;\n$input-group-addon-font-weight:         $input-font-weight !default;\n$input-group-addon-color:               $input-color !default;\n$input-group-addon-bg:                  var(--#{$prefix}tertiary-bg) !default;\n$input-group-addon-border-color:        $input-border-color !default;\n// scss-docs-end input-group-variables\n\n// scss-docs-start form-select-variables\n$form-select-padding-y:             $input-padding-y !default;\n$form-select-padding-x:             $input-padding-x !default;\n$form-select-font-family:           $input-font-family !default;\n$form-select-font-size:             $input-font-size !default;\n$form-select-indicator-padding:     $form-select-padding-x * 3 !default; // Extra padding for background-image\n$form-select-font-weight:           $input-font-weight !default;\n$form-select-line-height:           $input-line-height !default;\n$form-select-color:                 $input-color !default;\n$form-select-bg:                    $input-bg !default;\n$form-select-disabled-color:        null !default;\n$form-select-disabled-bg:           $input-disabled-bg !default;\n$form-select-disabled-border-color: $input-disabled-border-color !default;\n$form-select-bg-position:           right $form-select-padding-x center !default;\n$form-select-bg-size:               16px 12px !default; // In pixels because image dimensions\n$form-select-indicator-color:       $gray-800 !default;\n$form-select-indicator:             url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'><path fill='none' stroke='#{$form-select-indicator-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='2' d='m2 5 6 6 6-6'/></svg>\") !default;\n\n$form-select-feedback-icon-padding-end: $form-select-padding-x * 2.5 + $form-select-indicator-padding !default;\n$form-select-feedback-icon-position:    center right $form-select-indicator-padding !default;\n$form-select-feedback-icon-size:        $input-height-inner-half $input-height-inner-half !default;\n\n$form-select-border-width:        $input-border-width !default;\n$form-select-border-color:        $input-border-color !default;\n$form-select-border-radius:       $input-border-radius !default;\n$form-select-box-shadow:          var(--#{$prefix}box-shadow-inset) !default;\n\n$form-select-focus-border-color:  $input-focus-border-color !default;\n$form-select-focus-width:         $input-focus-width !default;\n$form-select-focus-box-shadow:    0 0 0 $form-select-focus-width $input-btn-focus-color !default;\n\n$form-select-padding-y-sm:        $input-padding-y-sm !default;\n$form-select-padding-x-sm:        $input-padding-x-sm !default;\n$form-select-font-size-sm:        $input-font-size-sm !default;\n$form-select-border-radius-sm:    $input-border-radius-sm !default;\n\n$form-select-padding-y-lg:        $input-padding-y-lg !default;\n$form-select-padding-x-lg:        $input-padding-x-lg !default;\n$form-select-font-size-lg:        $input-font-size-lg !default;\n$form-select-border-radius-lg:    $input-border-radius-lg !default;\n\n$form-select-transition:          $input-transition !default;\n// scss-docs-end form-select-variables\n\n// scss-docs-start form-range-variables\n$form-range-track-width:          100% !default;\n$form-range-track-height:         .5rem !default;\n$form-range-track-cursor:         pointer !default;\n$form-range-track-bg:             var(--#{$prefix}secondary-bg) !default;\n$form-range-track-border-radius:  1rem !default;\n$form-range-track-box-shadow:     var(--#{$prefix}box-shadow-inset) !default;\n\n$form-range-thumb-width:                   1rem !default;\n$form-range-thumb-height:                  $form-range-thumb-width !default;\n$form-range-thumb-bg:                      $component-active-bg !default;\n$form-range-thumb-border:                  0 !default;\n$form-range-thumb-border-radius:           1rem !default;\n$form-range-thumb-box-shadow:              0 .1rem .25rem rgba($black, .1) !default;\n$form-range-thumb-focus-box-shadow:        0 0 0 1px $body-bg, $input-focus-box-shadow !default;\n$form-range-thumb-focus-box-shadow-width:  $input-focus-width !default; // For focus box shadow issue in Edge\n$form-range-thumb-active-bg:               tint-color($component-active-bg, 70%) !default;\n$form-range-thumb-disabled-bg:             var(--#{$prefix}secondary-color) !default;\n$form-range-thumb-transition:              background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n// scss-docs-end form-range-variables\n\n// scss-docs-start form-file-variables\n$form-file-button-color:          $input-color !default;\n$form-file-button-bg:             var(--#{$prefix}tertiary-bg) !default;\n$form-file-button-hover-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end form-file-variables\n\n// scss-docs-start form-floating-variables\n$form-floating-height:                  add(3.5rem, $input-height-border) !default;\n$form-floating-line-height:             1.25 !default;\n$form-floating-padding-x:               $input-padding-x !default;\n$form-floating-padding-y:               1rem !default;\n$form-floating-input-padding-t:         1.625rem !default;\n$form-floating-input-padding-b:         .625rem !default;\n$form-floating-label-height:            1.5em !default;\n$form-floating-label-opacity:           .65 !default;\n$form-floating-label-transform:         scale(.85) translateY(-.5rem) translateX(.15rem) !default;\n$form-floating-label-disabled-color:    $gray-600 !default;\n$form-floating-transition:              opacity .1s ease-in-out, transform .1s ease-in-out !default;\n// scss-docs-end form-floating-variables\n\n// Form validation\n\n// scss-docs-start form-feedback-variables\n$form-feedback-margin-top:          $form-text-margin-top !default;\n$form-feedback-font-size:           $form-text-font-size !default;\n$form-feedback-font-style:          $form-text-font-style !default;\n$form-feedback-valid-color:         $success !default;\n$form-feedback-invalid-color:       $danger !default;\n\n$form-feedback-icon-valid-color:    $form-feedback-valid-color !default;\n$form-feedback-icon-valid:          url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 8 8'><path fill='#{$form-feedback-icon-valid-color}' d='M2.3 6.73.6 4.53c-.4-1.04.46-1.4 1.1-.8l1.1 1.4 3.4-3.8c.6-.63 1.6-.27 1.2.7l-4 4.6c-.43.5-.8.4-1.1.1z'/></svg>\") !default;\n$form-feedback-icon-invalid-color:  $form-feedback-invalid-color !default;\n$form-feedback-icon-invalid:        url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 12 12' width='12' height='12' fill='none' stroke='#{$form-feedback-icon-invalid-color}'><circle cx='6' cy='6' r='4.5'/><path stroke-linejoin='round' d='M5.8 3.6h.4L6 6.5z'/><circle cx='6' cy='8.2' r='.6' fill='#{$form-feedback-icon-invalid-color}' stroke='none'/></svg>\") !default;\n// scss-docs-end form-feedback-variables\n\n// scss-docs-start form-validation-colors\n$form-valid-color:                  $form-feedback-valid-color !default;\n$form-valid-border-color:           $form-feedback-valid-color !default;\n$form-invalid-color:                $form-feedback-invalid-color !default;\n$form-invalid-border-color:         $form-feedback-invalid-color !default;\n// scss-docs-end form-validation-colors\n\n// scss-docs-start form-validation-states\n$form-validation-states: (\n  \"valid\": (\n    \"color\": var(--#{$prefix}form-valid-color),\n    \"icon\": $form-feedback-icon-valid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}success),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}success-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-valid-border-color),\n  ),\n  \"invalid\": (\n    \"color\": var(--#{$prefix}form-invalid-color),\n    \"icon\": $form-feedback-icon-invalid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}danger),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}danger-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-invalid-border-color),\n  )\n) !default;\n// scss-docs-end form-validation-states\n\n// Z-index master list\n//\n// Warning: Avoid customizing these values. They're used for a bird's eye view\n// of components dependent on the z-axis and are designed to all work together.\n\n// scss-docs-start zindex-stack\n$zindex-dropdown:                   1000 !default;\n$zindex-sticky:                     1020 !default;\n$zindex-fixed:                      1030 !default;\n$zindex-offcanvas-backdrop:         1040 !default;\n$zindex-offcanvas:                  1045 !default;\n$zindex-modal-backdrop:             1050 !default;\n$zindex-modal:                      1055 !default;\n$zindex-popover:                    1070 !default;\n$zindex-tooltip:                    1080 !default;\n$zindex-toast:                      1090 !default;\n// scss-docs-end zindex-stack\n\n// scss-docs-start zindex-levels-map\n$zindex-levels: (\n  n1: -1,\n  0: 0,\n  1: 1,\n  2: 2,\n  3: 3\n) !default;\n// scss-docs-end zindex-levels-map\n\n\n// Navs\n\n// scss-docs-start nav-variables\n$nav-link-padding-y:                .5rem !default;\n$nav-link-padding-x:                1rem !default;\n$nav-link-font-size:                null !default;\n$nav-link-font-weight:              null !default;\n$nav-link-color:                    var(--#{$prefix}link-color) !default;\n$nav-link-hover-color:              var(--#{$prefix}link-hover-color) !default;\n$nav-link-transition:               color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out !default;\n$nav-link-disabled-color:           var(--#{$prefix}secondary-color) !default;\n$nav-link-focus-box-shadow:         $focus-ring-box-shadow !default;\n\n$nav-tabs-border-color:             var(--#{$prefix}border-color) !default;\n$nav-tabs-border-width:             var(--#{$prefix}border-width) !default;\n$nav-tabs-border-radius:            var(--#{$prefix}border-radius) !default;\n$nav-tabs-link-hover-border-color:  var(--#{$prefix}secondary-bg) var(--#{$prefix}secondary-bg) $nav-tabs-border-color !default;\n$nav-tabs-link-active-color:        var(--#{$prefix}emphasis-color) !default;\n$nav-tabs-link-active-bg:           var(--#{$prefix}body-bg) !default;\n$nav-tabs-link-active-border-color: var(--#{$prefix}border-color) var(--#{$prefix}border-color) $nav-tabs-link-active-bg !default;\n\n$nav-pills-border-radius:           var(--#{$prefix}border-radius) !default;\n$nav-pills-link-active-color:       $component-active-color !default;\n$nav-pills-link-active-bg:          $component-active-bg !default;\n\n$nav-underline-gap:                 1rem !default;\n$nav-underline-border-width:        .125rem !default;\n$nav-underline-link-active-color:   var(--#{$prefix}emphasis-color) !default;\n// scss-docs-end nav-variables\n\n\n// Navbar\n\n// scss-docs-start navbar-variables\n$navbar-padding-y:                  $spacer * .5 !default;\n$navbar-padding-x:                  null !default;\n\n$navbar-nav-link-padding-x:         .5rem !default;\n\n$navbar-brand-font-size:            $font-size-lg !default;\n// Compute the navbar-brand padding-y so the navbar-brand will have the same height as navbar-text and nav-link\n$nav-link-height:                   $font-size-base * $line-height-base + $nav-link-padding-y * 2 !default;\n$navbar-brand-height:               $navbar-brand-font-size * $line-height-base !default;\n$navbar-brand-padding-y:            ($nav-link-height - $navbar-brand-height) * .5 !default;\n$navbar-brand-margin-end:           1rem !default;\n\n$navbar-toggler-padding-y:          .25rem !default;\n$navbar-toggler-padding-x:          .75rem !default;\n$navbar-toggler-font-size:          $font-size-lg !default;\n$navbar-toggler-border-radius:      $btn-border-radius !default;\n$navbar-toggler-focus-width:        $btn-focus-width !default;\n$navbar-toggler-transition:         box-shadow .15s ease-in-out !default;\n\n$navbar-light-color:                rgba(var(--#{$prefix}emphasis-color-rgb), .65) !default;\n$navbar-light-hover-color:          rgba(var(--#{$prefix}emphasis-color-rgb), .8) !default;\n$navbar-light-active-color:         rgba(var(--#{$prefix}emphasis-color-rgb), 1) !default;\n$navbar-light-disabled-color:       rgba(var(--#{$prefix}emphasis-color-rgb), .3) !default;\n$navbar-light-icon-color:           rgba($body-color, .75) !default;\n$navbar-light-toggler-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-light-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-light-toggler-border-color: rgba(var(--#{$prefix}emphasis-color-rgb), .15) !default;\n$navbar-light-brand-color:          $navbar-light-active-color !default;\n$navbar-light-brand-hover-color:    $navbar-light-active-color !default;\n// scss-docs-end navbar-variables\n\n// scss-docs-start navbar-dark-variables\n$navbar-dark-color:                 rgba($white, .55) !default;\n$navbar-dark-hover-color:           rgba($white, .75) !default;\n$navbar-dark-active-color:          $white !default;\n$navbar-dark-disabled-color:        rgba($white, .25) !default;\n$navbar-dark-icon-color:            $navbar-dark-color !default;\n$navbar-dark-toggler-icon-bg:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-dark-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-dark-toggler-border-color:  rgba($white, .1) !default;\n$navbar-dark-brand-color:           $navbar-dark-active-color !default;\n$navbar-dark-brand-hover-color:     $navbar-dark-active-color !default;\n// scss-docs-end navbar-dark-variables\n\n\n// Dropdowns\n//\n// Dropdown menu container and contents.\n\n// scss-docs-start dropdown-variables\n$dropdown-min-width:                10rem !default;\n$dropdown-padding-x:                0 !default;\n$dropdown-padding-y:                .5rem !default;\n$dropdown-spacer:                   .125rem !default;\n$dropdown-font-size:                $font-size-base !default;\n$dropdown-color:                    var(--#{$prefix}body-color) !default;\n$dropdown-bg:                       var(--#{$prefix}body-bg) !default;\n$dropdown-border-color:             var(--#{$prefix}border-color-translucent) !default;\n$dropdown-border-radius:            var(--#{$prefix}border-radius) !default;\n$dropdown-border-width:             var(--#{$prefix}border-width) !default;\n$dropdown-inner-border-radius:      calc(#{$dropdown-border-radius} - #{$dropdown-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$dropdown-divider-bg:               $dropdown-border-color !default;\n$dropdown-divider-margin-y:         $spacer * .5 !default;\n$dropdown-box-shadow:               var(--#{$prefix}box-shadow) !default;\n\n$dropdown-link-color:               var(--#{$prefix}body-color) !default;\n$dropdown-link-hover-color:         $dropdown-link-color !default;\n$dropdown-link-hover-bg:            var(--#{$prefix}tertiary-bg) !default;\n\n$dropdown-link-active-color:        $component-active-color !default;\n$dropdown-link-active-bg:           $component-active-bg !default;\n\n$dropdown-link-disabled-color:      var(--#{$prefix}tertiary-color) !default;\n\n$dropdown-item-padding-y:           $spacer * .25 !default;\n$dropdown-item-padding-x:           $spacer !default;\n\n$dropdown-header-color:             $gray-600 !default;\n$dropdown-header-padding-x:         $dropdown-item-padding-x !default;\n$dropdown-header-padding-y:         $dropdown-padding-y !default;\n// fusv-disable\n$dropdown-header-padding:           $dropdown-header-padding-y $dropdown-header-padding-x !default; // Deprecated in v5.2.0\n// fusv-enable\n// scss-docs-end dropdown-variables\n\n// scss-docs-start dropdown-dark-variables\n$dropdown-dark-color:               $gray-300 !default;\n$dropdown-dark-bg:                  $gray-800 !default;\n$dropdown-dark-border-color:        $dropdown-border-color !default;\n$dropdown-dark-divider-bg:          $dropdown-divider-bg !default;\n$dropdown-dark-box-shadow:          null !default;\n$dropdown-dark-link-color:          $dropdown-dark-color !default;\n$dropdown-dark-link-hover-color:    $white !default;\n$dropdown-dark-link-hover-bg:       rgba($white, .15) !default;\n$dropdown-dark-link-active-color:   $dropdown-link-active-color !default;\n$dropdown-dark-link-active-bg:      $dropdown-link-active-bg !default;\n$dropdown-dark-link-disabled-color: $gray-500 !default;\n$dropdown-dark-header-color:        $gray-500 !default;\n// scss-docs-end dropdown-dark-variables\n\n\n// Pagination\n\n// scss-docs-start pagination-variables\n$pagination-padding-y:              .375rem !default;\n$pagination-padding-x:              .75rem !default;\n$pagination-padding-y-sm:           .25rem !default;\n$pagination-padding-x-sm:           .5rem !default;\n$pagination-padding-y-lg:           .75rem !default;\n$pagination-padding-x-lg:           1.5rem !default;\n\n$pagination-font-size:              $font-size-base !default;\n\n$pagination-color:                  var(--#{$prefix}link-color) !default;\n$pagination-bg:                     var(--#{$prefix}body-bg) !default;\n$pagination-border-radius:          var(--#{$prefix}border-radius) !default;\n$pagination-border-width:           var(--#{$prefix}border-width) !default;\n$pagination-margin-start:           calc(#{$pagination-border-width} * -1) !default; // stylelint-disable-line function-disallowed-list\n$pagination-border-color:           var(--#{$prefix}border-color) !default;\n\n$pagination-focus-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-focus-bg:               var(--#{$prefix}secondary-bg) !default;\n$pagination-focus-box-shadow:       $focus-ring-box-shadow !default;\n$pagination-focus-outline:          0 !default;\n\n$pagination-hover-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$pagination-hover-border-color:     var(--#{$prefix}border-color) !default; // Todo in v6: remove this?\n\n$pagination-active-color:           $component-active-color !default;\n$pagination-active-bg:              $component-active-bg !default;\n$pagination-active-border-color:    $component-active-bg !default;\n\n$pagination-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$pagination-disabled-bg:            var(--#{$prefix}secondary-bg) !default;\n$pagination-disabled-border-color:  var(--#{$prefix}border-color) !default;\n\n$pagination-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$pagination-border-radius-sm:       var(--#{$prefix}border-radius-sm) !default;\n$pagination-border-radius-lg:       var(--#{$prefix}border-radius-lg) !default;\n// scss-docs-end pagination-variables\n\n\n// Placeholders\n\n// scss-docs-start placeholders\n$placeholder-opacity-max:           .5 !default;\n$placeholder-opacity-min:           .2 !default;\n// scss-docs-end placeholders\n\n// Cards\n\n// scss-docs-start card-variables\n$card-spacer-y:                     $spacer !default;\n$card-spacer-x:                     $spacer !default;\n$card-title-spacer-y:               $spacer * .5 !default;\n$card-title-color:                  null !default;\n$card-subtitle-color:               null !default;\n$card-border-width:                 var(--#{$prefix}border-width) !default;\n$card-border-color:                 var(--#{$prefix}border-color-translucent) !default;\n$card-border-radius:                var(--#{$prefix}border-radius) !default;\n$card-box-shadow:                   null !default;\n$card-inner-border-radius:          subtract($card-border-radius, $card-border-width) !default;\n$card-cap-padding-y:                $card-spacer-y * .5 !default;\n$card-cap-padding-x:                $card-spacer-x !default;\n$card-cap-bg:                       rgba(var(--#{$prefix}body-color-rgb), .03) !default;\n$card-cap-color:                    null !default;\n$card-height:                       null !default;\n$card-color:                        null !default;\n$card-bg:                           var(--#{$prefix}body-bg) !default;\n$card-img-overlay-padding:          $spacer !default;\n$card-group-margin:                 $grid-gutter-width * .5 !default;\n// scss-docs-end card-variables\n\n// Accordion\n\n// scss-docs-start accordion-variables\n$accordion-padding-y:                     1rem !default;\n$accordion-padding-x:                     1.25rem !default;\n$accordion-color:                         var(--#{$prefix}body-color) !default;\n$accordion-bg:                            var(--#{$prefix}body-bg) !default;\n$accordion-border-width:                  var(--#{$prefix}border-width) !default;\n$accordion-border-color:                  var(--#{$prefix}border-color) !default;\n$accordion-border-radius:                 var(--#{$prefix}border-radius) !default;\n$accordion-inner-border-radius:           subtract($accordion-border-radius, $accordion-border-width) !default;\n\n$accordion-body-padding-y:                $accordion-padding-y !default;\n$accordion-body-padding-x:                $accordion-padding-x !default;\n\n$accordion-button-padding-y:              $accordion-padding-y !default;\n$accordion-button-padding-x:              $accordion-padding-x !default;\n$accordion-button-color:                  var(--#{$prefix}body-color) !default;\n$accordion-button-bg:                     var(--#{$prefix}accordion-bg) !default;\n$accordion-transition:                    $btn-transition, border-radius .15s ease !default;\n$accordion-button-active-bg:              var(--#{$prefix}primary-bg-subtle) !default;\n$accordion-button-active-color:           var(--#{$prefix}primary-text-emphasis) !default;\n\n// fusv-disable\n$accordion-button-focus-border-color:     $input-focus-border-color !default; // Deprecated in v5.3.3\n// fusv-enable\n$accordion-button-focus-box-shadow:       $btn-focus-box-shadow !default;\n\n$accordion-icon-width:                    1.25rem !default;\n$accordion-icon-color:                    $body-color !default;\n$accordion-icon-active-color:             $primary-text-emphasis !default;\n$accordion-icon-transition:               transform .2s ease-in-out !default;\n$accordion-icon-transform:                rotate(-180deg) !default;\n\n$accordion-button-icon:         url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='#{$accordion-icon-color}' stroke-linecap='round' stroke-linejoin='round'><path d='M2 5L8 11L14 5'/></svg>\") !default;\n$accordion-button-active-icon:  url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='#{$accordion-icon-active-color}' stroke-linecap='round' stroke-linejoin='round'><path d='M2 5L8 11L14 5'/></svg>\") !default;\n// scss-docs-end accordion-variables\n\n// Tooltips\n\n// scss-docs-start tooltip-variables\n$tooltip-font-size:                 $font-size-sm !default;\n$tooltip-max-width:                 200px !default;\n$tooltip-color:                     var(--#{$prefix}body-bg) !default;\n$tooltip-bg:                        var(--#{$prefix}emphasis-color) !default;\n$tooltip-border-radius:             var(--#{$prefix}border-radius) !default;\n$tooltip-opacity:                   .9 !default;\n$tooltip-padding-y:                 $spacer * .25 !default;\n$tooltip-padding-x:                 $spacer * .5 !default;\n$tooltip-margin:                    null !default; // TODO: remove this in v6\n\n$tooltip-arrow-width:               .8rem !default;\n$tooltip-arrow-height:              .4rem !default;\n// fusv-disable\n$tooltip-arrow-color:               null !default; // Deprecated in Bootstrap 5.2.0 for CSS variables\n// fusv-enable\n// scss-docs-end tooltip-variables\n\n// Form tooltips must come after regular tooltips\n// scss-docs-start tooltip-feedback-variables\n$form-feedback-tooltip-padding-y:     $tooltip-padding-y !default;\n$form-feedback-tooltip-padding-x:     $tooltip-padding-x !default;\n$form-feedback-tooltip-font-size:     $tooltip-font-size !default;\n$form-feedback-tooltip-line-height:   null !default;\n$form-feedback-tooltip-opacity:       $tooltip-opacity !default;\n$form-feedback-tooltip-border-radius: $tooltip-border-radius !default;\n// scss-docs-end tooltip-feedback-variables\n\n\n// Popovers\n\n// scss-docs-start popover-variables\n$popover-font-size:                 $font-size-sm !default;\n$popover-bg:                        var(--#{$prefix}body-bg) !default;\n$popover-max-width:                 276px !default;\n$popover-border-width:              var(--#{$prefix}border-width) !default;\n$popover-border-color:              var(--#{$prefix}border-color-translucent) !default;\n$popover-border-radius:             var(--#{$prefix}border-radius-lg) !default;\n$popover-inner-border-radius:       calc(#{$popover-border-radius} - #{$popover-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$popover-box-shadow:                var(--#{$prefix}box-shadow) !default;\n\n$popover-header-font-size:          $font-size-base !default;\n$popover-header-bg:                 var(--#{$prefix}secondary-bg) !default;\n$popover-header-color:              $headings-color !default;\n$popover-header-padding-y:          .5rem !default;\n$popover-header-padding-x:          $spacer !default;\n\n$popover-body-color:                var(--#{$prefix}body-color) !default;\n$popover-body-padding-y:            $spacer !default;\n$popover-body-padding-x:            $spacer !default;\n\n$popover-arrow-width:               1rem !default;\n$popover-arrow-height:              .5rem !default;\n// scss-docs-end popover-variables\n\n// fusv-disable\n// Deprecated in Bootstrap 5.2.0 for CSS variables\n$popover-arrow-color:               $popover-bg !default;\n$popover-arrow-outer-color:         var(--#{$prefix}border-color-translucent) !default;\n// fusv-enable\n\n\n// Toasts\n\n// scss-docs-start toast-variables\n$toast-max-width:                   350px !default;\n$toast-padding-x:                   .75rem !default;\n$toast-padding-y:                   .5rem !default;\n$toast-font-size:                   .875rem !default;\n$toast-color:                       null !default;\n$toast-background-color:            rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-border-width:                var(--#{$prefix}border-width) !default;\n$toast-border-color:                var(--#{$prefix}border-color-translucent) !default;\n$toast-border-radius:               var(--#{$prefix}border-radius) !default;\n$toast-box-shadow:                  var(--#{$prefix}box-shadow) !default;\n$toast-spacing:                     $container-padding-x !default;\n\n$toast-header-color:                var(--#{$prefix}secondary-color) !default;\n$toast-header-background-color:     rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-header-border-color:         $toast-border-color !default;\n// scss-docs-end toast-variables\n\n\n// Badges\n\n// scss-docs-start badge-variables\n$badge-font-size:                   .75em !default;\n$badge-font-weight:                 $font-weight-bold !default;\n$badge-color:                       $white !default;\n$badge-padding-y:                   .35em !default;\n$badge-padding-x:                   .65em !default;\n$badge-border-radius:               var(--#{$prefix}border-radius) !default;\n// scss-docs-end badge-variables\n\n\n// Modals\n\n// scss-docs-start modal-variables\n$modal-inner-padding:               $spacer !default;\n\n$modal-footer-margin-between:       .5rem !default;\n\n$modal-dialog-margin:               .5rem !default;\n$modal-dialog-margin-y-sm-up:       1.75rem !default;\n\n$modal-title-line-height:           $line-height-base !default;\n\n$modal-content-color:               null !default;\n$modal-content-bg:                  var(--#{$prefix}body-bg) !default;\n$modal-content-border-color:        var(--#{$prefix}border-color-translucent) !default;\n$modal-content-border-width:        var(--#{$prefix}border-width) !default;\n$modal-content-border-radius:       var(--#{$prefix}border-radius-lg) !default;\n$modal-content-inner-border-radius: subtract($modal-content-border-radius, $modal-content-border-width) !default;\n$modal-content-box-shadow-xs:       var(--#{$prefix}box-shadow-sm) !default;\n$modal-content-box-shadow-sm-up:    var(--#{$prefix}box-shadow) !default;\n\n$modal-backdrop-bg:                 $black !default;\n$modal-backdrop-opacity:            .5 !default;\n\n$modal-header-border-color:         var(--#{$prefix}border-color) !default;\n$modal-header-border-width:         $modal-content-border-width !default;\n$modal-header-padding-y:            $modal-inner-padding !default;\n$modal-header-padding-x:            $modal-inner-padding !default;\n$modal-header-padding:              $modal-header-padding-y $modal-header-padding-x !default; // Keep this for backwards compatibility\n\n$modal-footer-bg:                   null !default;\n$modal-footer-border-color:         $modal-header-border-color !default;\n$modal-footer-border-width:         $modal-header-border-width !default;\n\n$modal-sm:                          300px !default;\n$modal-md:                          500px !default;\n$modal-lg:                          800px !default;\n$modal-xl:                          1140px !default;\n\n$modal-fade-transform:              translate(0, -50px) !default;\n$modal-show-transform:              none !default;\n$modal-transition:                  transform .3s ease-out !default;\n$modal-scale-transform:             scale(1.02) !default;\n// scss-docs-end modal-variables\n\n\n// Alerts\n//\n// Define alert colors, border radius, and padding.\n\n// scss-docs-start alert-variables\n$alert-padding-y:               $spacer !default;\n$alert-padding-x:               $spacer !default;\n$alert-margin-bottom:           1rem !default;\n$alert-border-radius:           var(--#{$prefix}border-radius) !default;\n$alert-link-font-weight:        $font-weight-bold !default;\n$alert-border-width:            var(--#{$prefix}border-width) !default;\n$alert-dismissible-padding-r:   $alert-padding-x * 3 !default; // 3x covers width of x plus default padding on either side\n// scss-docs-end alert-variables\n\n// fusv-disable\n$alert-bg-scale:                -80% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-border-scale:            -70% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-color-scale:             40% !default; // Deprecated in v5.2.0, to be removed in v6\n// fusv-enable\n\n// Progress bars\n\n// scss-docs-start progress-variables\n$progress-height:                   1rem !default;\n$progress-font-size:                $font-size-base * .75 !default;\n$progress-bg:                       var(--#{$prefix}secondary-bg) !default;\n$progress-border-radius:            var(--#{$prefix}border-radius) !default;\n$progress-box-shadow:               var(--#{$prefix}box-shadow-inset) !default;\n$progress-bar-color:                $white !default;\n$progress-bar-bg:                   $primary !default;\n$progress-bar-animation-timing:     1s linear infinite !default;\n$progress-bar-transition:           width .6s ease !default;\n// scss-docs-end progress-variables\n\n\n// List group\n\n// scss-docs-start list-group-variables\n$list-group-color:                  var(--#{$prefix}body-color) !default;\n$list-group-bg:                     var(--#{$prefix}body-bg) !default;\n$list-group-border-color:           var(--#{$prefix}border-color) !default;\n$list-group-border-width:           var(--#{$prefix}border-width) !default;\n$list-group-border-radius:          var(--#{$prefix}border-radius) !default;\n\n$list-group-item-padding-y:         $spacer * .5 !default;\n$list-group-item-padding-x:         $spacer !default;\n// fusv-disable\n$list-group-item-bg-scale:          -80% !default; // Deprecated in v5.3.0\n$list-group-item-color-scale:       40% !default; // Deprecated in v5.3.0\n// fusv-enable\n\n$list-group-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$list-group-active-color:           $component-active-color !default;\n$list-group-active-bg:              $component-active-bg !default;\n$list-group-active-border-color:    $list-group-active-bg !default;\n\n$list-group-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$list-group-disabled-bg:            $list-group-bg !default;\n\n$list-group-action-color:           var(--#{$prefix}secondary-color) !default;\n$list-group-action-hover-color:     var(--#{$prefix}emphasis-color) !default;\n\n$list-group-action-active-color:    var(--#{$prefix}body-color) !default;\n$list-group-action-active-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end list-group-variables\n\n\n// Image thumbnails\n\n// scss-docs-start thumbnail-variables\n$thumbnail-padding:                 .25rem !default;\n$thumbnail-bg:                      var(--#{$prefix}body-bg) !default;\n$thumbnail-border-width:            var(--#{$prefix}border-width) !default;\n$thumbnail-border-color:            var(--#{$prefix}border-color) !default;\n$thumbnail-border-radius:           var(--#{$prefix}border-radius) !default;\n$thumbnail-box-shadow:              var(--#{$prefix}box-shadow-sm) !default;\n// scss-docs-end thumbnail-variables\n\n\n// Figures\n\n// scss-docs-start figure-variables\n$figure-caption-font-size:          $small-font-size !default;\n$figure-caption-color:              var(--#{$prefix}secondary-color) !default;\n// scss-docs-end figure-variables\n\n\n// Breadcrumbs\n\n// scss-docs-start breadcrumb-variables\n$breadcrumb-font-size:              null !default;\n$breadcrumb-padding-y:              0 !default;\n$breadcrumb-padding-x:              0 !default;\n$breadcrumb-item-padding-x:         .5rem !default;\n$breadcrumb-margin-bottom:          1rem !default;\n$breadcrumb-bg:                     null !default;\n$breadcrumb-divider-color:          var(--#{$prefix}secondary-color) !default;\n$breadcrumb-active-color:           var(--#{$prefix}secondary-color) !default;\n$breadcrumb-divider:                quote(\"/\") !default;\n$breadcrumb-divider-flipped:        $breadcrumb-divider !default;\n$breadcrumb-border-radius:          null !default;\n// scss-docs-end breadcrumb-variables\n\n// Carousel\n\n// scss-docs-start carousel-variables\n$carousel-control-color:             $white !default;\n$carousel-control-width:             15% !default;\n$carousel-control-opacity:           .5 !default;\n$carousel-control-hover-opacity:     .9 !default;\n$carousel-control-transition:        opacity .15s ease !default;\n\n$carousel-indicator-width:           30px !default;\n$carousel-indicator-height:          3px !default;\n$carousel-indicator-hit-area-height: 10px !default;\n$carousel-indicator-spacer:          3px !default;\n$carousel-indicator-opacity:         .5 !default;\n$carousel-indicator-active-bg:       $white !default;\n$carousel-indicator-active-opacity:  1 !default;\n$carousel-indicator-transition:      opacity .6s ease !default;\n\n$carousel-caption-width:             70% !default;\n$carousel-caption-color:             $white !default;\n$carousel-caption-padding-y:         1.25rem !default;\n$carousel-caption-spacer:            1.25rem !default;\n\n$carousel-control-icon-width:        2rem !default;\n\n$carousel-control-prev-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M11.354 1.646a.5.5 0 0 1 0 .708L5.707 8l5.647 5.646a.5.5 0 0 1-.708.708l-6-6a.5.5 0 0 1 0-.708l6-6a.5.5 0 0 1 .708 0z'/></svg>\") !default;\n$carousel-control-next-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M4.646 1.646a.5.5 0 0 1 .708 0l6 6a.5.5 0 0 1 0 .708l-6 6a.5.5 0 0 1-.708-.708L10.293 8 4.646 2.354a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n\n$carousel-transition-duration:       .6s !default;\n$carousel-transition:                transform $carousel-transition-duration ease-in-out !default; // Define transform transition first if using multiple transitions (e.g., `transform 2s ease, opacity .5s ease-out`)\n// scss-docs-end carousel-variables\n\n// scss-docs-start carousel-dark-variables\n$carousel-dark-indicator-active-bg:  $black !default;\n$carousel-dark-caption-color:        $black !default;\n$carousel-dark-control-icon-filter:  invert(1) grayscale(100) !default;\n// scss-docs-end carousel-dark-variables\n\n\n// Spinners\n\n// scss-docs-start spinner-variables\n$spinner-width:           2rem !default;\n$spinner-height:          $spinner-width !default;\n$spinner-vertical-align:  -.125em !default;\n$spinner-border-width:    .25em !default;\n$spinner-animation-speed: .75s !default;\n\n$spinner-width-sm:        1rem !default;\n$spinner-height-sm:       $spinner-width-sm !default;\n$spinner-border-width-sm: .2em !default;\n// scss-docs-end spinner-variables\n\n\n// Close\n\n// scss-docs-start close-variables\n$btn-close-width:            1em !default;\n$btn-close-height:           $btn-close-width !default;\n$btn-close-padding-x:        .25em !default;\n$btn-close-padding-y:        $btn-close-padding-x !default;\n$btn-close-color:            $black !default;\n$btn-close-bg:               url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$btn-close-color}'><path d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/></svg>\") !default;\n$btn-close-focus-shadow:     $focus-ring-box-shadow !default;\n$btn-close-opacity:          .5 !default;\n$btn-close-hover-opacity:    .75 !default;\n$btn-close-focus-opacity:    1 !default;\n$btn-close-disabled-opacity: .25 !default;\n$btn-close-white-filter:     invert(1) grayscale(100%) brightness(200%) !default;\n// scss-docs-end close-variables\n\n\n// Offcanvas\n\n// scss-docs-start offcanvas-variables\n$offcanvas-padding-y:               $modal-inner-padding !default;\n$offcanvas-padding-x:               $modal-inner-padding !default;\n$offcanvas-horizontal-width:        400px !default;\n$offcanvas-vertical-height:         30vh !default;\n$offcanvas-transition-duration:     .3s !default;\n$offcanvas-border-color:            $modal-content-border-color !default;\n$offcanvas-border-width:            $modal-content-border-width !default;\n$offcanvas-title-line-height:       $modal-title-line-height !default;\n$offcanvas-bg-color:                var(--#{$prefix}body-bg) !default;\n$offcanvas-color:                   var(--#{$prefix}body-color) !default;\n$offcanvas-box-shadow:              $modal-content-box-shadow-xs !default;\n$offcanvas-backdrop-bg:             $modal-backdrop-bg !default;\n$offcanvas-backdrop-opacity:        $modal-backdrop-opacity !default;\n// scss-docs-end offcanvas-variables\n\n// Code\n\n$code-font-size:                    $small-font-size !default;\n$code-color:                        $pink !default;\n\n$kbd-padding-y:                     .1875rem !default;\n$kbd-padding-x:                     .375rem !default;\n$kbd-font-size:                     $code-font-size !default;\n$kbd-color:                         var(--#{$prefix}body-bg) !default;\n$kbd-bg:                            var(--#{$prefix}body-color) !default;\n$nested-kbd-font-weight:            null !default; // Deprecated in v5.2.0, removing in v6\n\n$pre-color:                         null !default;\n\n@import \"variables-dark\"; // TODO: can be removed safely in v6, only here to avoid breaking changes in v5.3\n","// stylelint-disable property-disallowed-list\n// Single side border-radius\n\n// Helper function to replace negative values with 0\n@function valid-radius($radius) {\n  $return: ();\n  @each $value in $radius {\n    @if type-of($value) == number {\n      $return: append($return, max($value, 0));\n    } @else {\n      $return: append($return, $value);\n    }\n  }\n  @return $return;\n}\n\n// scss-docs-start border-radius-mixins\n@mixin border-radius($radius: $border-radius, $fallback-border-radius: false) {\n  @if $enable-rounded {\n    border-radius: valid-radius($radius);\n  }\n  @else if $fallback-border-radius != false {\n    border-radius: $fallback-border-radius;\n  }\n}\n\n@mixin border-top-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n    border-top-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-right-radius: valid-radius($radius);\n    border-bottom-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-right-radius: valid-radius($radius);\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-top-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-left-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-top-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-top-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-end-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-right-radius: valid-radius($radius);\n  }\n}\n\n@mixin border-bottom-start-radius($radius: $border-radius) {\n  @if $enable-rounded {\n    border-bottom-left-radius: valid-radius($radius);\n  }\n}\n// scss-docs-end border-radius-mixins\n","//\n// Headings\n//\n.h1 {\n  @extend h1;\n}\n\n.h2 {\n  @extend h2;\n}\n\n.h3 {\n  @extend h3;\n}\n\n.h4 {\n  @extend h4;\n}\n\n.h5 {\n  @extend h5;\n}\n\n.h6 {\n  @extend h6;\n}\n\n\n.lead {\n  @include font-size($lead-font-size);\n  font-weight: $lead-font-weight;\n}\n\n// Type display classes\n@each $display, $font-size in $display-font-sizes {\n  .display-#{$display} {\n    @include font-size($font-size);\n    font-family: $display-font-family;\n    font-style: $display-font-style;\n    font-weight: $display-font-weight;\n    line-height: $display-line-height;\n  }\n}\n\n//\n// Emphasis\n//\n.small {\n  @extend small;\n}\n\n.mark {\n  @extend mark;\n}\n\n//\n// Lists\n//\n\n.list-unstyled {\n  @include list-unstyled();\n}\n\n// Inline turns list items into inline-block\n.list-inline {\n  @include list-unstyled();\n}\n.list-inline-item {\n  display: inline-block;\n\n  &:not(:last-child) {\n    margin-right: $list-inline-padding;\n  }\n}\n\n\n//\n// Misc\n//\n\n// Builds on `abbr`\n.initialism {\n  @include font-size($initialism-font-size);\n  text-transform: uppercase;\n}\n\n// Blockquotes\n.blockquote {\n  margin-bottom: $blockquote-margin-y;\n  @include font-size($blockquote-font-size);\n\n  > :last-child {\n    margin-bottom: 0;\n  }\n}\n\n.blockquote-footer {\n  margin-top: -$blockquote-margin-y;\n  margin-bottom: $blockquote-margin-y;\n  @include font-size($blockquote-footer-font-size);\n  color: $blockquote-footer-color;\n\n  &::before {\n    content: \"\\2014\\00A0\"; // em dash, nbsp\n  }\n}\n","// Lists\n\n// Unstyled keeps list items block level, just removes default browser padding and list-style\n@mixin list-unstyled {\n  padding-left: 0;\n  list-style: none;\n}\n","// Override bootstrap variables\n$spacer: 1rem;\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1400px,\n);\n$grid-breakpoints: (\n  xs: 0,\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1200px,\n);\n$dropdown-link-hover-bg: var(--pst-color-surface);\n\n// --pst-color-surface can also be assigned to the dark variant because it is\n// scoped to different values depending on light/dark theme\n$dropdown-dark-link-hover-bg: var(--pst-color-surface);\n$dropdown-link-active-bg: var(--pst-color-surface);\n$dropdown-dark-link-active-bg: var(--pst-color-surface);\n$focus-ring-width: 0.1875rem; // 3px at 100% zoom (0.1875 * 16px base font = 3px)\n$focus-ring-opacity: 1;\n$focus-ring-color: var(--pst-color-accent);\n$focus-ring-blur: 0;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color;\n\n// outline creates the same style of focus ring, it just uses CSS outline instead of box shadow\n$focus-ring-outline: $focus-ring-color solid $focus-ring-width;\n$btn-focus-box-shadow: $focus-ring-box-shadow;\n","// Responsive images (ensure images don't scale beyond their parents)\n//\n// This is purposefully opt-in via an explicit class rather than being the default for all `<img>`s.\n// We previously tried the \"images are responsive by default\" approach in Bootstrap v2,\n// and abandoned it in Bootstrap v3 because it breaks lots of third-party widgets (including Google Maps)\n// which weren't expecting the images within themselves to be involuntarily resized.\n// See also https://github.com/twbs/bootstrap/issues/18178\n.img-fluid {\n  @include img-fluid();\n}\n\n\n// Image thumbnails\n.img-thumbnail {\n  padding: $thumbnail-padding;\n  background-color: $thumbnail-bg;\n  border: $thumbnail-border-width solid $thumbnail-border-color;\n  @include border-radius($thumbnail-border-radius);\n  @include box-shadow($thumbnail-box-shadow);\n\n  // Keep them at most 100% wide\n  @include img-fluid();\n}\n\n//\n// Figures\n//\n\n.figure {\n  // Ensures the caption's text aligns with the image.\n  display: inline-block;\n}\n\n.figure-img {\n  margin-bottom: $spacer * .5;\n  line-height: 1;\n}\n\n.figure-caption {\n  @include font-size($figure-caption-font-size);\n  color: $figure-caption-color;\n}\n","// Image Mixins\n// - Responsive image\n// - Retina image\n\n\n// Responsive image\n//\n// Keep images from scaling beyond the width of their parents.\n\n@mixin img-fluid {\n  // Part 1: Set a maximum relative to the parent\n  max-width: 100%;\n  // Part 2: Override the height to auto, otherwise images will be stretched\n  // when setting a width and height attribute on the img element.\n  height: auto;\n}\n","// Container widths\n//\n// Set the container width, and override it for fixed navbars in media queries.\n\n@if $enable-container-classes {\n  // Single container class with breakpoint max-widths\n  .container,\n  // 100% wide container at all breakpoints\n  .container-fluid {\n    @include make-container();\n  }\n\n  // Responsive containers that are 100% wide until a breakpoint\n  @each $breakpoint, $container-max-width in $container-max-widths {\n    .container-#{$breakpoint} {\n      @extend .container-fluid;\n    }\n\n    @include media-breakpoint-up($breakpoint, $grid-breakpoints) {\n      %responsive-container-#{$breakpoint} {\n        max-width: $container-max-width;\n      }\n\n      // Extend each breakpoint which is smaller or equal to the current breakpoint\n      $extend-breakpoint: true;\n\n      @each $name, $width in $grid-breakpoints {\n        @if ($extend-breakpoint) {\n          .container#{breakpoint-infix($name, $grid-breakpoints)} {\n            @extend %responsive-container-#{$breakpoint};\n          }\n\n          // Once the current breakpoint is reached, stop extending\n          @if ($breakpoint == $name) {\n            $extend-breakpoint: false;\n          }\n        }\n      }\n    }\n  }\n}\n","// Container mixins\n\n@mixin make-container($gutter: $container-padding-x) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  width: 100%;\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-right: auto;\n  margin-left: auto;\n}\n","// Breakpoint viewport sizes and media queries.\n//\n// Breakpoints are defined as a map of (name: minimum width), order from small to large:\n//\n//    (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px)\n//\n// The map defined in the `$grid-breakpoints` global variable is used as the `$breakpoints` argument by default.\n\n// Name of the next breakpoint, or null for the last breakpoint.\n//\n//    >> breakpoint-next(sm)\n//    md\n//    >> breakpoint-next(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    md\n//    >> breakpoint-next(sm, $breakpoint-names: (xs sm md lg xl xxl))\n//    md\n@function breakpoint-next($name, $breakpoints: $grid-breakpoints, $breakpoint-names: map-keys($breakpoints)) {\n  $n: index($breakpoint-names, $name);\n  @if not $n {\n    @error \"breakpoint `#{$name}` not found in `#{$breakpoints}`\";\n  }\n  @return if($n < length($breakpoint-names), nth($breakpoint-names, $n + 1), null);\n}\n\n// Minimum breakpoint width. Null for the smallest (first) breakpoint.\n//\n//    >> breakpoint-min(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    576px\n@function breakpoint-min($name, $breakpoints: $grid-breakpoints) {\n  $min: map-get($breakpoints, $name);\n  @return if($min != 0, $min, null);\n}\n\n// Maximum breakpoint width.\n// The maximum value is reduced by 0.02px to work around the limitations of\n// `min-` and `max-` prefixes and viewports with fractional widths.\n// See https://www.w3.org/TR/mediaqueries-4/#mq-min-max\n// Uses 0.02px rather than 0.01px to work around a current rounding bug in Safari.\n// See https://bugs.webkit.org/show_bug.cgi?id=178261\n//\n//    >> breakpoint-max(md, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    767.98px\n@function breakpoint-max($name, $breakpoints: $grid-breakpoints) {\n  $max: map-get($breakpoints, $name);\n  @return if($max and $max > 0, $max - .02, null);\n}\n\n// Returns a blank string if smallest breakpoint, otherwise returns the name with a dash in front.\n// Useful for making responsive utilities.\n//\n//    >> breakpoint-infix(xs, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"\"  (Returns a blank string)\n//    >> breakpoint-infix(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"-sm\"\n@function breakpoint-infix($name, $breakpoints: $grid-breakpoints) {\n  @return if(breakpoint-min($name, $breakpoints) == null, \"\", \"-#{$name}\");\n}\n\n// Media of at least the minimum breakpoint width. No query for the smallest breakpoint.\n// Makes the @content apply to the given breakpoint and wider.\n@mixin media-breakpoint-up($name, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($name, $breakpoints);\n  @if $min {\n    @media (min-width: $min) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media of at most the maximum breakpoint width. No query for the largest breakpoint.\n// Makes the @content apply to the given breakpoint and narrower.\n@mixin media-breakpoint-down($name, $breakpoints: $grid-breakpoints) {\n  $max: breakpoint-max($name, $breakpoints);\n  @if $max {\n    @media (max-width: $max) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media that spans multiple breakpoint widths.\n// Makes the @content apply between the min and max breakpoints\n@mixin media-breakpoint-between($lower, $upper, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($lower, $breakpoints);\n  $max: breakpoint-max($upper, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($lower, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($upper, $breakpoints) {\n      @content;\n    }\n  }\n}\n\n// Media between the breakpoint's minimum and maximum widths.\n// No minimum for the smallest breakpoint, and no maximum for the largest one.\n// Makes the @content apply only to the given breakpoint, not viewports any wider or narrower.\n@mixin media-breakpoint-only($name, $breakpoints: $grid-breakpoints) {\n  $min:  breakpoint-min($name, $breakpoints);\n  $next: breakpoint-next($name, $breakpoints);\n  $max:  breakpoint-max($next, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($name, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($next, $breakpoints) {\n      @content;\n    }\n  }\n}\n","// Row\n//\n// Rows contain your columns.\n\n:root {\n  @each $name, $value in $grid-breakpoints {\n    --#{$prefix}breakpoint-#{$name}: #{$value};\n  }\n}\n\n@if $enable-grid-classes {\n  .row {\n    @include make-row();\n\n    > * {\n      @include make-col-ready();\n    }\n  }\n}\n\n@if $enable-cssgrid {\n  .grid {\n    display: grid;\n    grid-template-rows: repeat(var(--#{$prefix}rows, 1), 1fr);\n    grid-template-columns: repeat(var(--#{$prefix}columns, #{$grid-columns}), 1fr);\n    gap: var(--#{$prefix}gap, #{$grid-gutter-width});\n\n    @include make-cssgrid();\n  }\n}\n\n\n// Columns\n//\n// Common styles for small and large grid columns\n\n@if $enable-grid-classes {\n  @include make-grid-columns();\n}\n","// Grid system\n//\n// Generate semantic grid columns with these mixins.\n\n@mixin make-row($gutter: $grid-gutter-width) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  display: flex;\n  flex-wrap: wrap;\n  // TODO: Revisit calc order after https://github.com/react-bootstrap/react-bootstrap/issues/6039 is fixed\n  margin-top: calc(-1 * var(--#{$prefix}gutter-y)); // stylelint-disable-line function-disallowed-list\n  margin-right: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n}\n\n@mixin make-col-ready() {\n  // Add box sizing if only the grid is loaded\n  box-sizing: if(variable-exists(include-column-box-sizing) and $include-column-box-sizing, border-box, null);\n  // Prevent columns from becoming too narrow when at smaller grid tiers by\n  // always setting `width: 100%;`. This works because we set the width\n  // later on to override this initial width.\n  flex-shrink: 0;\n  width: 100%;\n  max-width: 100%; // Prevent `.col-auto`, `.col` (& responsive variants) from breaking out the grid\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-top: var(--#{$prefix}gutter-y);\n}\n\n@mixin make-col($size: false, $columns: $grid-columns) {\n  @if $size {\n    flex: 0 0 auto;\n    width: percentage(divide($size, $columns));\n\n  } @else {\n    flex: 1 1 0;\n    max-width: 100%;\n  }\n}\n\n@mixin make-col-auto() {\n  flex: 0 0 auto;\n  width: auto;\n}\n\n@mixin make-col-offset($size, $columns: $grid-columns) {\n  $num: divide($size, $columns);\n  margin-left: if($num == 0, 0, percentage($num));\n}\n\n// Row columns\n//\n// Specify on a parent element(e.g., .row) to force immediate children into NN\n// number of columns. Supports wrapping to new lines, but does not do a Masonry\n// style grid.\n@mixin row-cols($count) {\n  > * {\n    flex: 0 0 auto;\n    width: percentage(divide(1, $count));\n  }\n}\n\n// Framework grid generation\n//\n// Used only by Bootstrap to generate the correct number of grid classes given\n// any value of `$grid-columns`.\n\n@mixin make-grid-columns($columns: $grid-columns, $gutter: $grid-gutter-width, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      // Provide basic `.col-{bp}` classes for equal-width flexbox columns\n      .col#{$infix} {\n        flex: 1 0 0%; // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      }\n\n      .row-cols#{$infix}-auto > * {\n        @include make-col-auto();\n      }\n\n      @if $grid-row-columns > 0 {\n        @for $i from 1 through $grid-row-columns {\n          .row-cols#{$infix}-#{$i} {\n            @include row-cols($i);\n          }\n        }\n      }\n\n      .col#{$infix}-auto {\n        @include make-col-auto();\n      }\n\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .col#{$infix}-#{$i} {\n            @include make-col($i, $columns);\n          }\n        }\n\n        // `$columns - 1` because offsetting by the width of an entire row isn't possible\n        @for $i from 0 through ($columns - 1) {\n          @if not ($infix == \"\" and $i == 0) { // Avoid emitting useless .offset-0\n            .offset#{$infix}-#{$i} {\n              @include make-col-offset($i, $columns);\n            }\n          }\n        }\n      }\n\n      // Gutters\n      //\n      // Make use of `.g-*`, `.gx-*` or `.gy-*` utilities to change spacing between the columns.\n      @each $key, $value in $gutters {\n        .g#{$infix}-#{$key},\n        .gx#{$infix}-#{$key} {\n          --#{$prefix}gutter-x: #{$value};\n        }\n\n        .g#{$infix}-#{$key},\n        .gy#{$infix}-#{$key} {\n          --#{$prefix}gutter-y: #{$value};\n        }\n      }\n    }\n  }\n}\n\n@mixin make-cssgrid($columns: $grid-columns, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .g-col#{$infix}-#{$i} {\n            grid-column: auto / span $i;\n          }\n        }\n\n        // Start with `1` because `0` is an invalid value.\n        // Ends with `$columns - 1` because offsetting by the width of an entire row isn't possible.\n        @for $i from 1 through ($columns - 1) {\n          .g-start#{$infix}-#{$i} {\n            grid-column-start: $i;\n          }\n        }\n      }\n    }\n  }\n}\n","//\n// Basic Bootstrap table\n//\n\n.table {\n  // Reset needed for nesting tables\n  --#{$prefix}table-color-type: initial;\n  --#{$prefix}table-bg-type: initial;\n  --#{$prefix}table-color-state: initial;\n  --#{$prefix}table-bg-state: initial;\n  // End of reset\n  --#{$prefix}table-color: #{$table-color};\n  --#{$prefix}table-bg: #{$table-bg};\n  --#{$prefix}table-border-color: #{$table-border-color};\n  --#{$prefix}table-accent-bg: #{$table-accent-bg};\n  --#{$prefix}table-striped-color: #{$table-striped-color};\n  --#{$prefix}table-striped-bg: #{$table-striped-bg};\n  --#{$prefix}table-active-color: #{$table-active-color};\n  --#{$prefix}table-active-bg: #{$table-active-bg};\n  --#{$prefix}table-hover-color: #{$table-hover-color};\n  --#{$prefix}table-hover-bg: #{$table-hover-bg};\n\n  width: 100%;\n  margin-bottom: $spacer;\n  vertical-align: $table-cell-vertical-align;\n  border-color: var(--#{$prefix}table-border-color);\n\n  // Target th & td\n  // We need the child combinator to prevent styles leaking to nested tables which doesn't have a `.table` class.\n  // We use the universal selectors here to simplify the selector (else we would need 6 different selectors).\n  // Another advantage is that this generates less code and makes the selector less specific making it easier to override.\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    padding: $table-cell-padding-y $table-cell-padding-x;\n    // Following the precept of cascades: https://codepen.io/miriamsuzanne/full/vYNgodb\n    color: var(--#{$prefix}table-color-state, var(--#{$prefix}table-color-type, var(--#{$prefix}table-color)));\n    background-color: var(--#{$prefix}table-bg);\n    border-bottom-width: $table-border-width;\n    box-shadow: inset 0 0 0 9999px var(--#{$prefix}table-bg-state, var(--#{$prefix}table-bg-type, var(--#{$prefix}table-accent-bg)));\n  }\n\n  > tbody {\n    vertical-align: inherit;\n  }\n\n  > thead {\n    vertical-align: bottom;\n  }\n}\n\n.table-group-divider {\n  border-top: calc(#{$table-border-width} * 2) solid $table-group-separator-color; // stylelint-disable-line function-disallowed-list\n}\n\n//\n// Change placement of captions with a class\n//\n\n.caption-top {\n  caption-side: top;\n}\n\n\n//\n// Condensed table w/ half padding\n//\n\n.table-sm {\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    padding: $table-cell-padding-y-sm $table-cell-padding-x-sm;\n  }\n}\n\n\n// Border versions\n//\n// Add or remove borders all around the table and between all the columns.\n//\n// When borders are added on all sides of the cells, the corners can render odd when\n// these borders do not have the same color or if they are semi-transparent.\n// Therefore we add top and border bottoms to the `tr`s and left and right borders\n// to the `td`s or `th`s\n\n.table-bordered {\n  > :not(caption) > * {\n    border-width: $table-border-width 0;\n\n    // stylelint-disable-next-line selector-max-universal\n    > * {\n      border-width: 0 $table-border-width;\n    }\n  }\n}\n\n.table-borderless {\n  // stylelint-disable-next-line selector-max-universal\n  > :not(caption) > * > * {\n    border-bottom-width: 0;\n  }\n\n  > :not(:first-child) {\n    border-top-width: 0;\n  }\n}\n\n// Zebra-striping\n//\n// Default zebra-stripe styles (alternating gray and transparent backgrounds)\n\n// For rows\n.table-striped {\n  > tbody > tr:nth-of-type(#{$table-striped-order}) > * {\n    --#{$prefix}table-color-type: var(--#{$prefix}table-striped-color);\n    --#{$prefix}table-bg-type: var(--#{$prefix}table-striped-bg);\n  }\n}\n\n// For columns\n.table-striped-columns {\n  > :not(caption) > tr > :nth-child(#{$table-striped-columns-order}) {\n    --#{$prefix}table-color-type: var(--#{$prefix}table-striped-color);\n    --#{$prefix}table-bg-type: var(--#{$prefix}table-striped-bg);\n  }\n}\n\n// Active table\n//\n// The `.table-active` class can be added to highlight rows or cells\n\n.table-active {\n  --#{$prefix}table-color-state: var(--#{$prefix}table-active-color);\n  --#{$prefix}table-bg-state: var(--#{$prefix}table-active-bg);\n}\n\n// Hover effect\n//\n// Placed here since it has to come after the potential zebra striping\n\n.table-hover {\n  > tbody > tr:hover > * {\n    --#{$prefix}table-color-state: var(--#{$prefix}table-hover-color);\n    --#{$prefix}table-bg-state: var(--#{$prefix}table-hover-bg);\n  }\n}\n\n\n// Table variants\n//\n// Table variants set the table cell backgrounds, border colors\n// and the colors of the striped, hovered & active tables\n\n@each $color, $value in $table-variants {\n  @include table-variant($color, $value);\n}\n\n// Responsive tables\n//\n// Generate series of `.table-responsive-*` classes for configuring the screen\n// size of where your table will overflow.\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n  @include media-breakpoint-down($breakpoint) {\n    .table-responsive#{$infix} {\n      overflow-x: auto;\n      -webkit-overflow-scrolling: touch;\n    }\n  }\n}\n","// scss-docs-start table-variant\n@mixin table-variant($state, $background) {\n  .table-#{$state} {\n    $color: color-contrast(opaque($body-bg, $background));\n    $hover-bg: mix($color, $background, percentage($table-hover-bg-factor));\n    $striped-bg: mix($color, $background, percentage($table-striped-bg-factor));\n    $active-bg: mix($color, $background, percentage($table-active-bg-factor));\n    $table-border-color: mix($color, $background, percentage($table-border-factor));\n\n    --#{$prefix}table-color: #{$color};\n    --#{$prefix}table-bg: #{$background};\n    --#{$prefix}table-border-color: #{$table-border-color};\n    --#{$prefix}table-striped-bg: #{$striped-bg};\n    --#{$prefix}table-striped-color: #{color-contrast($striped-bg)};\n    --#{$prefix}table-active-bg: #{$active-bg};\n    --#{$prefix}table-active-color: #{color-contrast($active-bg)};\n    --#{$prefix}table-hover-bg: #{$hover-bg};\n    --#{$prefix}table-hover-color: #{color-contrast($hover-bg)};\n\n    color: var(--#{$prefix}table-color);\n    border-color: var(--#{$prefix}table-border-color);\n  }\n}\n// scss-docs-end table-variant\n","//\n// Labels\n//\n\n.form-label {\n  margin-bottom: $form-label-margin-bottom;\n  @include font-size($form-label-font-size);\n  font-style: $form-label-font-style;\n  font-weight: $form-label-font-weight;\n  color: $form-label-color;\n}\n\n// For use with horizontal and inline forms, when you need the label (or legend)\n// text to align with the form controls.\n.col-form-label {\n  padding-top: add($input-padding-y, $input-border-width);\n  padding-bottom: add($input-padding-y, $input-border-width);\n  margin-bottom: 0; // Override the `<legend>` default\n  @include font-size(inherit); // Override the `<legend>` default\n  font-style: $form-label-font-style;\n  font-weight: $form-label-font-weight;\n  line-height: $input-line-height;\n  color: $form-label-color;\n}\n\n.col-form-label-lg {\n  padding-top: add($input-padding-y-lg, $input-border-width);\n  padding-bottom: add($input-padding-y-lg, $input-border-width);\n  @include font-size($input-font-size-lg);\n}\n\n.col-form-label-sm {\n  padding-top: add($input-padding-y-sm, $input-border-width);\n  padding-bottom: add($input-padding-y-sm, $input-border-width);\n  @include font-size($input-font-size-sm);\n}\n","//\n// Form text\n//\n\n.form-text {\n  margin-top: $form-text-margin-top;\n  @include font-size($form-text-font-size);\n  font-style: $form-text-font-style;\n  font-weight: $form-text-font-weight;\n  color: $form-text-color;\n}\n","//\n// General form controls (plus a few specific high-level interventions)\n//\n\n.form-control {\n  display: block;\n  width: 100%;\n  padding: $input-padding-y $input-padding-x;\n  font-family: $input-font-family;\n  @include font-size($input-font-size);\n  font-weight: $input-font-weight;\n  line-height: $input-line-height;\n  color: $input-color;\n  appearance: none; // Fix appearance for date inputs in Safari\n  background-color: $input-bg;\n  background-clip: padding-box;\n  border: $input-border-width solid $input-border-color;\n\n  // Note: This has no effect on <select>s in some browsers, due to the limited stylability of `<select>`s in CSS.\n  @include border-radius($input-border-radius, 0);\n\n  @include box-shadow($input-box-shadow);\n  @include transition($input-transition);\n\n  &[type=\"file\"] {\n    overflow: hidden; // prevent pseudo element button overlap\n\n    &:not(:disabled):not([readonly]) {\n      cursor: pointer;\n    }\n  }\n\n  // Customize the `:focus` state to imitate native WebKit styles.\n  &:focus {\n    color: $input-focus-color;\n    background-color: $input-focus-bg;\n    border-color: $input-focus-border-color;\n    outline: 0;\n    @if $enable-shadows {\n      @include box-shadow($input-box-shadow, $input-focus-box-shadow);\n    } @else {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      box-shadow: $input-focus-box-shadow;\n    }\n  }\n\n  &::-webkit-date-and-time-value {\n    // On Android Chrome, form-control's \"width: 100%\" makes the input width too small\n    // Tested under Android 11 / Chrome 89, Android 12 / Chrome 100, Android 13 / Chrome 109\n    //\n    // On iOS Safari, form-control's \"appearance: none\" + \"width: 100%\" makes the input width too small\n    // Tested under iOS 16.2 / Safari 16.2\n    min-width: 85px; // Seems to be a good minimum safe width\n\n    // Add some height to date inputs on iOS\n    // https://github.com/twbs/bootstrap/issues/23307\n    // TODO: we can remove this workaround once https://bugs.webkit.org/show_bug.cgi?id=198959 is resolved\n    // Multiply line-height by 1em if it has no unit\n    height: if(unit($input-line-height) == \"\", $input-line-height * 1em, $input-line-height);\n\n    // Android Chrome type=\"date\" is taller than the other inputs\n    // because of \"margin: 1px 24px 1px 4px\" inside the shadow DOM\n    // Tested under Android 11 / Chrome 89, Android 12 / Chrome 100, Android 13 / Chrome 109\n    margin: 0;\n  }\n\n  // Prevent excessive date input height in Webkit\n  // https://github.com/twbs/bootstrap/issues/34433\n  &::-webkit-datetime-edit {\n    display: block;\n    padding: 0;\n  }\n\n  // Placeholder\n  &::placeholder {\n    color: $input-placeholder-color;\n    // Override Firefox's unusual default opacity; see https://github.com/twbs/bootstrap/pull/11526.\n    opacity: 1;\n  }\n\n  // Disabled inputs\n  //\n  // HTML5 says that controls under a fieldset > legend:first-child won't be\n  // disabled if the fieldset is disabled. Due to implementation difficulty, we\n  // don't honor that edge case; we style them as disabled anyway.\n  &:disabled {\n    color: $input-disabled-color;\n    background-color: $input-disabled-bg;\n    border-color: $input-disabled-border-color;\n    // iOS fix for unreadable disabled content; see https://github.com/twbs/bootstrap/issues/11655.\n    opacity: 1;\n  }\n\n  // File input buttons theming\n  &::file-selector-button {\n    padding: $input-padding-y $input-padding-x;\n    margin: (-$input-padding-y) (-$input-padding-x);\n    margin-inline-end: $input-padding-x;\n    color: $form-file-button-color;\n    @include gradient-bg($form-file-button-bg);\n    pointer-events: none;\n    border-color: inherit;\n    border-style: solid;\n    border-width: 0;\n    border-inline-end-width: $input-border-width;\n    border-radius: 0; // stylelint-disable-line property-disallowed-list\n    @include transition($btn-transition);\n  }\n\n  &:hover:not(:disabled):not([readonly])::file-selector-button {\n    background-color: $form-file-button-hover-bg;\n  }\n}\n\n// Readonly controls as plain text\n//\n// Apply class to a readonly input to make it appear like regular plain\n// text (without any border, background color, focus indicator)\n\n.form-control-plaintext {\n  display: block;\n  width: 100%;\n  padding: $input-padding-y 0;\n  margin-bottom: 0; // match inputs if this class comes on inputs with default margins\n  line-height: $input-line-height;\n  color: $input-plaintext-color;\n  background-color: transparent;\n  border: solid transparent;\n  border-width: $input-border-width 0;\n\n  &:focus {\n    outline: 0;\n  }\n\n  &.form-control-sm,\n  &.form-control-lg {\n    padding-right: 0;\n    padding-left: 0;\n  }\n}\n\n// Form control sizing\n//\n// Build on `.form-control` with modifier classes to decrease or increase the\n// height and font-size of form controls.\n//\n// Repeated in `_input_group.scss` to avoid Sass extend issues.\n\n.form-control-sm {\n  min-height: $input-height-sm;\n  padding: $input-padding-y-sm $input-padding-x-sm;\n  @include font-size($input-font-size-sm);\n  @include border-radius($input-border-radius-sm);\n\n  &::file-selector-button {\n    padding: $input-padding-y-sm $input-padding-x-sm;\n    margin: (-$input-padding-y-sm) (-$input-padding-x-sm);\n    margin-inline-end: $input-padding-x-sm;\n  }\n}\n\n.form-control-lg {\n  min-height: $input-height-lg;\n  padding: $input-padding-y-lg $input-padding-x-lg;\n  @include font-size($input-font-size-lg);\n  @include border-radius($input-border-radius-lg);\n\n  &::file-selector-button {\n    padding: $input-padding-y-lg $input-padding-x-lg;\n    margin: (-$input-padding-y-lg) (-$input-padding-x-lg);\n    margin-inline-end: $input-padding-x-lg;\n  }\n}\n\n// Make sure textareas don't shrink too much when resized\n// https://github.com/twbs/bootstrap/pull/29124\n// stylelint-disable selector-no-qualifying-type\ntextarea {\n  &.form-control {\n    min-height: $input-height;\n  }\n\n  &.form-control-sm {\n    min-height: $input-height-sm;\n  }\n\n  &.form-control-lg {\n    min-height: $input-height-lg;\n  }\n}\n// stylelint-enable selector-no-qualifying-type\n\n.form-control-color {\n  width: $form-color-width;\n  height: $input-height;\n  padding: $input-padding-y;\n\n  &:not(:disabled):not([readonly]) {\n    cursor: pointer;\n  }\n\n  &::-moz-color-swatch {\n    border: 0 !important; // stylelint-disable-line declaration-no-important\n    @include border-radius($input-border-radius);\n  }\n\n  &::-webkit-color-swatch {\n    border: 0 !important; // stylelint-disable-line declaration-no-important\n    @include border-radius($input-border-radius);\n  }\n\n  &.form-control-sm { height: $input-height-sm; }\n  &.form-control-lg { height: $input-height-lg; }\n}\n","// stylelint-disable property-disallowed-list\n@mixin transition($transition...) {\n  @if length($transition) == 0 {\n    $transition: $transition-base;\n  }\n\n  @if length($transition) > 1 {\n    @each $value in $transition {\n      @if $value == null or $value == none {\n        @warn \"The keyword 'none' or 'null' must be used as a single argument.\";\n      }\n    }\n  }\n\n  @if $enable-transitions {\n    @if nth($transition, 1) != null {\n      transition: $transition;\n    }\n\n    @if $enable-reduced-motion and nth($transition, 1) != null and nth($transition, 1) != none {\n      @media (prefers-reduced-motion: reduce) {\n        transition: none;\n      }\n    }\n  }\n}\n","// Gradients\n\n// scss-docs-start gradient-bg-mixin\n@mixin gradient-bg($color: null) {\n  background-color: $color;\n\n  @if $enable-gradients {\n    background-image: var(--#{$prefix}gradient);\n  }\n}\n// scss-docs-end gradient-bg-mixin\n\n// scss-docs-start gradient-mixins\n// Horizontal gradient, from left to right\n//\n// Creates two color stops, start and end, by specifying a color and position for each color stop.\n@mixin gradient-x($start-color: $gray-700, $end-color: $gray-800, $start-percent: 0%, $end-percent: 100%) {\n  background-image: linear-gradient(to right, $start-color $start-percent, $end-color $end-percent);\n}\n\n// Vertical gradient, from top to bottom\n//\n// Creates two color stops, start and end, by specifying a color and position for each color stop.\n@mixin gradient-y($start-color: $gray-700, $end-color: $gray-800, $start-percent: null, $end-percent: null) {\n  background-image: linear-gradient(to bottom, $start-color $start-percent, $end-color $end-percent);\n}\n\n@mixin gradient-directional($start-color: $gray-700, $end-color: $gray-800, $deg: 45deg) {\n  background-image: linear-gradient($deg, $start-color, $end-color);\n}\n\n@mixin gradient-x-three-colors($start-color: $blue, $mid-color: $purple, $color-stop: 50%, $end-color: $red) {\n  background-image: linear-gradient(to right, $start-color, $mid-color $color-stop, $end-color);\n}\n\n@mixin gradient-y-three-colors($start-color: $blue, $mid-color: $purple, $color-stop: 50%, $end-color: $red) {\n  background-image: linear-gradient($start-color, $mid-color $color-stop, $end-color);\n}\n\n@mixin gradient-radial($inner-color: $gray-700, $outer-color: $gray-800) {\n  background-image: radial-gradient(circle, $inner-color, $outer-color);\n}\n\n@mixin gradient-striped($color: rgba($white, .15), $angle: 45deg) {\n  background-image: linear-gradient($angle, $color 25%, transparent 25%, transparent 50%, $color 50%, $color 75%, transparent 75%, transparent);\n}\n// scss-docs-end gradient-mixins\n","// Select\n//\n// Replaces the browser default select with a custom one, mostly pulled from\n// https://primer.github.io/.\n\n.form-select {\n  --#{$prefix}form-select-bg-img: #{escape-svg($form-select-indicator)};\n\n  display: block;\n  width: 100%;\n  padding: $form-select-padding-y $form-select-indicator-padding $form-select-padding-y $form-select-padding-x;\n  font-family: $form-select-font-family;\n  @include font-size($form-select-font-size);\n  font-weight: $form-select-font-weight;\n  line-height: $form-select-line-height;\n  color: $form-select-color;\n  appearance: none;\n  background-color: $form-select-bg;\n  background-image: var(--#{$prefix}form-select-bg-img), var(--#{$prefix}form-select-bg-icon, none);\n  background-repeat: no-repeat;\n  background-position: $form-select-bg-position;\n  background-size: $form-select-bg-size;\n  border: $form-select-border-width solid $form-select-border-color;\n  @include border-radius($form-select-border-radius, 0);\n  @include box-shadow($form-select-box-shadow);\n  @include transition($form-select-transition);\n\n  &:focus {\n    border-color: $form-select-focus-border-color;\n    outline: 0;\n    @if $enable-shadows {\n      @include box-shadow($form-select-box-shadow, $form-select-focus-box-shadow);\n    } @else {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      box-shadow: $form-select-focus-box-shadow;\n    }\n  }\n\n  &[multiple],\n  &[size]:not([size=\"1\"]) {\n    padding-right: $form-select-padding-x;\n    background-image: none;\n  }\n\n  &:disabled {\n    color: $form-select-disabled-color;\n    background-color: $form-select-disabled-bg;\n    border-color: $form-select-disabled-border-color;\n  }\n\n  // Remove outline from select box in FF\n  &:-moz-focusring {\n    color: transparent;\n    text-shadow: 0 0 0 $form-select-color;\n  }\n}\n\n.form-select-sm {\n  padding-top: $form-select-padding-y-sm;\n  padding-bottom: $form-select-padding-y-sm;\n  padding-left: $form-select-padding-x-sm;\n  @include font-size($form-select-font-size-sm);\n  @include border-radius($form-select-border-radius-sm);\n}\n\n.form-select-lg {\n  padding-top: $form-select-padding-y-lg;\n  padding-bottom: $form-select-padding-y-lg;\n  padding-left: $form-select-padding-x-lg;\n  @include font-size($form-select-font-size-lg);\n  @include border-radius($form-select-border-radius-lg);\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .form-select {\n      --#{$prefix}form-select-bg-img: #{escape-svg($form-select-indicator-dark)};\n    }\n  }\n}\n","//\n// Check/radio\n//\n\n.form-check {\n  display: block;\n  min-height: $form-check-min-height;\n  padding-left: $form-check-padding-start;\n  margin-bottom: $form-check-margin-bottom;\n\n  .form-check-input {\n    float: left;\n    margin-left: $form-check-padding-start * -1;\n  }\n}\n\n.form-check-reverse {\n  padding-right: $form-check-padding-start;\n  padding-left: 0;\n  text-align: right;\n\n  .form-check-input {\n    float: right;\n    margin-right: $form-check-padding-start * -1;\n    margin-left: 0;\n  }\n}\n\n.form-check-input {\n  --#{$prefix}form-check-bg: #{$form-check-input-bg};\n\n  flex-shrink: 0;\n  width: $form-check-input-width;\n  height: $form-check-input-width;\n  margin-top: ($line-height-base - $form-check-input-width) * .5; // line-height minus check height\n  vertical-align: top;\n  appearance: none;\n  background-color: var(--#{$prefix}form-check-bg);\n  background-image: var(--#{$prefix}form-check-bg-image);\n  background-repeat: no-repeat;\n  background-position: center;\n  background-size: contain;\n  border: $form-check-input-border;\n  print-color-adjust: exact; // Keep themed appearance for print\n  @include transition($form-check-transition);\n\n  &[type=\"checkbox\"] {\n    @include border-radius($form-check-input-border-radius);\n  }\n\n  &[type=\"radio\"] {\n    // stylelint-disable-next-line property-disallowed-list\n    border-radius: $form-check-radio-border-radius;\n  }\n\n  &:active {\n    filter: $form-check-input-active-filter;\n  }\n\n  &:focus {\n    border-color: $form-check-input-focus-border;\n    outline: 0;\n    box-shadow: $form-check-input-focus-box-shadow;\n  }\n\n  &:checked {\n    background-color: $form-check-input-checked-bg-color;\n    border-color: $form-check-input-checked-border-color;\n\n    &[type=\"checkbox\"] {\n      @if $enable-gradients {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-checked-bg-image)};\n      }\n    }\n\n    &[type=\"radio\"] {\n      @if $enable-gradients {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-radio-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-check-bg-image: #{escape-svg($form-check-radio-checked-bg-image)};\n      }\n    }\n  }\n\n  &[type=\"checkbox\"]:indeterminate {\n    background-color: $form-check-input-indeterminate-bg-color;\n    border-color: $form-check-input-indeterminate-border-color;\n\n    @if $enable-gradients {\n      --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-indeterminate-bg-image)}, var(--#{$prefix}gradient);\n    } @else {\n      --#{$prefix}form-check-bg-image: #{escape-svg($form-check-input-indeterminate-bg-image)};\n    }\n  }\n\n  &:disabled {\n    pointer-events: none;\n    filter: none;\n    opacity: $form-check-input-disabled-opacity;\n  }\n\n  // Use disabled attribute in addition of :disabled pseudo-class\n  // See: https://github.com/twbs/bootstrap/issues/28247\n  &[disabled],\n  &:disabled {\n    ~ .form-check-label {\n      cursor: default;\n      opacity: $form-check-label-disabled-opacity;\n    }\n  }\n}\n\n.form-check-label {\n  color: $form-check-label-color;\n  cursor: $form-check-label-cursor;\n}\n\n//\n// Switch\n//\n\n.form-switch {\n  padding-left: $form-switch-padding-start;\n\n  .form-check-input {\n    --#{$prefix}form-switch-bg: #{escape-svg($form-switch-bg-image)};\n\n    width: $form-switch-width;\n    margin-left: $form-switch-padding-start * -1;\n    background-image: var(--#{$prefix}form-switch-bg);\n    background-position: left center;\n    @include border-radius($form-switch-border-radius, 0);\n    @include transition($form-switch-transition);\n\n    &:focus {\n      --#{$prefix}form-switch-bg: #{escape-svg($form-switch-focus-bg-image)};\n    }\n\n    &:checked {\n      background-position: $form-switch-checked-bg-position;\n\n      @if $enable-gradients {\n        --#{$prefix}form-switch-bg: #{escape-svg($form-switch-checked-bg-image)}, var(--#{$prefix}gradient);\n      } @else {\n        --#{$prefix}form-switch-bg: #{escape-svg($form-switch-checked-bg-image)};\n      }\n    }\n  }\n\n  &.form-check-reverse {\n    padding-right: $form-switch-padding-start;\n    padding-left: 0;\n\n    .form-check-input {\n      margin-right: $form-switch-padding-start * -1;\n      margin-left: 0;\n    }\n  }\n}\n\n.form-check-inline {\n  display: inline-block;\n  margin-right: $form-check-inline-margin-end;\n}\n\n.btn-check {\n  position: absolute;\n  clip: rect(0, 0, 0, 0);\n  pointer-events: none;\n\n  &[disabled],\n  &:disabled {\n    + .btn {\n      pointer-events: none;\n      filter: none;\n      opacity: $form-check-btn-check-disabled-opacity;\n    }\n  }\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .form-switch .form-check-input:not(:checked):not(:focus) {\n      --#{$prefix}form-switch-bg: #{escape-svg($form-switch-bg-image-dark)};\n    }\n  }\n}\n","// Range\n//\n// Style range inputs the same across browsers. Vendor-specific rules for pseudo\n// elements cannot be mixed. As such, there are no shared styles for focus or\n// active states on prefixed selectors.\n\n.form-range {\n  width: 100%;\n  height: add($form-range-thumb-height, $form-range-thumb-focus-box-shadow-width * 2);\n  padding: 0; // Need to reset padding\n  appearance: none;\n  background-color: transparent;\n\n  &:focus {\n    outline: 0;\n\n    // Pseudo-elements must be split across multiple rulesets to have an effect.\n    // No box-shadow() mixin for focus accessibility.\n    &::-webkit-slider-thumb { box-shadow: $form-range-thumb-focus-box-shadow; }\n    &::-moz-range-thumb     { box-shadow: $form-range-thumb-focus-box-shadow; }\n  }\n\n  &::-moz-focus-outer {\n    border: 0;\n  }\n\n  &::-webkit-slider-thumb {\n    width: $form-range-thumb-width;\n    height: $form-range-thumb-height;\n    margin-top: ($form-range-track-height - $form-range-thumb-height) * .5; // Webkit specific\n    appearance: none;\n    @include gradient-bg($form-range-thumb-bg);\n    border: $form-range-thumb-border;\n    @include border-radius($form-range-thumb-border-radius);\n    @include box-shadow($form-range-thumb-box-shadow);\n    @include transition($form-range-thumb-transition);\n\n    &:active {\n      @include gradient-bg($form-range-thumb-active-bg);\n    }\n  }\n\n  &::-webkit-slider-runnable-track {\n    width: $form-range-track-width;\n    height: $form-range-track-height;\n    color: transparent; // Why?\n    cursor: $form-range-track-cursor;\n    background-color: $form-range-track-bg;\n    border-color: transparent;\n    @include border-radius($form-range-track-border-radius);\n    @include box-shadow($form-range-track-box-shadow);\n  }\n\n  &::-moz-range-thumb {\n    width: $form-range-thumb-width;\n    height: $form-range-thumb-height;\n    appearance: none;\n    @include gradient-bg($form-range-thumb-bg);\n    border: $form-range-thumb-border;\n    @include border-radius($form-range-thumb-border-radius);\n    @include box-shadow($form-range-thumb-box-shadow);\n    @include transition($form-range-thumb-transition);\n\n    &:active {\n      @include gradient-bg($form-range-thumb-active-bg);\n    }\n  }\n\n  &::-moz-range-track {\n    width: $form-range-track-width;\n    height: $form-range-track-height;\n    color: transparent;\n    cursor: $form-range-track-cursor;\n    background-color: $form-range-track-bg;\n    border-color: transparent; // Firefox specific?\n    @include border-radius($form-range-track-border-radius);\n    @include box-shadow($form-range-track-box-shadow);\n  }\n\n  &:disabled {\n    pointer-events: none;\n\n    &::-webkit-slider-thumb {\n      background-color: $form-range-thumb-disabled-bg;\n    }\n\n    &::-moz-range-thumb {\n      background-color: $form-range-thumb-disabled-bg;\n    }\n  }\n}\n",".form-floating {\n  position: relative;\n\n  > .form-control,\n  > .form-control-plaintext,\n  > .form-select {\n    height: $form-floating-height;\n    min-height: $form-floating-height;\n    line-height: $form-floating-line-height;\n  }\n\n  > label {\n    position: absolute;\n    top: 0;\n    left: 0;\n    z-index: 2;\n    height: 100%; // allow textareas\n    padding: $form-floating-padding-y $form-floating-padding-x;\n    overflow: hidden;\n    text-align: start;\n    text-overflow: ellipsis;\n    white-space: nowrap;\n    pointer-events: none;\n    border: $input-border-width solid transparent; // Required for aligning label's text with the input as it affects inner box model\n    transform-origin: 0 0;\n    @include transition($form-floating-transition);\n  }\n\n  > .form-control,\n  > .form-control-plaintext {\n    padding: $form-floating-padding-y $form-floating-padding-x;\n\n    &::placeholder {\n      color: transparent;\n    }\n\n    &:focus,\n    &:not(:placeholder-shown) {\n      padding-top: $form-floating-input-padding-t;\n      padding-bottom: $form-floating-input-padding-b;\n    }\n    // Duplicated because `:-webkit-autofill` invalidates other selectors when grouped\n    &:-webkit-autofill {\n      padding-top: $form-floating-input-padding-t;\n      padding-bottom: $form-floating-input-padding-b;\n    }\n  }\n\n  > .form-select {\n    padding-top: $form-floating-input-padding-t;\n    padding-bottom: $form-floating-input-padding-b;\n  }\n\n  > .form-control:focus,\n  > .form-control:not(:placeholder-shown),\n  > .form-control-plaintext,\n  > .form-select {\n    ~ label {\n      color: rgba(var(--#{$prefix}body-color-rgb), #{$form-floating-label-opacity});\n      transform: $form-floating-label-transform;\n\n      &::after {\n        position: absolute;\n        inset: $form-floating-padding-y ($form-floating-padding-x * .5);\n        z-index: -1;\n        height: $form-floating-label-height;\n        content: \"\";\n        background-color: $input-bg;\n        @include border-radius($input-border-radius);\n      }\n    }\n  }\n  // Duplicated because `:-webkit-autofill` invalidates other selectors when grouped\n  > .form-control:-webkit-autofill {\n    ~ label {\n      color: rgba(var(--#{$prefix}body-color-rgb), #{$form-floating-label-opacity});\n      transform: $form-floating-label-transform;\n    }\n  }\n\n  > .form-control-plaintext {\n    ~ label {\n      border-width: $input-border-width 0; // Required to properly position label text - as explained above\n    }\n  }\n\n  > :disabled ~ label,\n  > .form-control:disabled ~ label { // Required for `.form-control`s because of specificity\n    color: $form-floating-label-disabled-color;\n\n    &::after {\n      background-color: $input-disabled-bg;\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.input-group {\n  position: relative;\n  display: flex;\n  flex-wrap: wrap; // For form validation feedback\n  align-items: stretch;\n  width: 100%;\n\n  > .form-control,\n  > .form-select,\n  > .form-floating {\n    position: relative; // For focus state's z-index\n    flex: 1 1 auto;\n    width: 1%;\n    min-width: 0; // https://stackoverflow.com/questions/36247140/why-dont-flex-items-shrink-past-content-size\n  }\n\n  // Bring the \"active\" form control to the top of surrounding elements\n  > .form-control:focus,\n  > .form-select:focus,\n  > .form-floating:focus-within {\n    z-index: 5;\n  }\n\n  // Ensure buttons are always above inputs for more visually pleasing borders.\n  // This isn't needed for `.input-group-text` since it shares the same border-color\n  // as our inputs.\n  .btn {\n    position: relative;\n    z-index: 2;\n\n    &:focus {\n      z-index: 5;\n    }\n  }\n}\n\n\n// Textual addons\n//\n// Serves as a catch-all element for any text or radio/checkbox input you wish\n// to prepend or append to an input.\n\n.input-group-text {\n  display: flex;\n  align-items: center;\n  padding: $input-group-addon-padding-y $input-group-addon-padding-x;\n  @include font-size($input-font-size); // Match inputs\n  font-weight: $input-group-addon-font-weight;\n  line-height: $input-line-height;\n  color: $input-group-addon-color;\n  text-align: center;\n  white-space: nowrap;\n  background-color: $input-group-addon-bg;\n  border: $input-border-width solid $input-group-addon-border-color;\n  @include border-radius($input-border-radius);\n}\n\n\n// Sizing\n//\n// Remix the default form control sizing classes into new ones for easier\n// manipulation.\n\n.input-group-lg > .form-control,\n.input-group-lg > .form-select,\n.input-group-lg > .input-group-text,\n.input-group-lg > .btn {\n  padding: $input-padding-y-lg $input-padding-x-lg;\n  @include font-size($input-font-size-lg);\n  @include border-radius($input-border-radius-lg);\n}\n\n.input-group-sm > .form-control,\n.input-group-sm > .form-select,\n.input-group-sm > .input-group-text,\n.input-group-sm > .btn {\n  padding: $input-padding-y-sm $input-padding-x-sm;\n  @include font-size($input-font-size-sm);\n  @include border-radius($input-border-radius-sm);\n}\n\n.input-group-lg > .form-select,\n.input-group-sm > .form-select {\n  padding-right: $form-select-padding-x + $form-select-indicator-padding;\n}\n\n\n// Rounded corners\n//\n// These rulesets must come after the sizing ones to properly override sm and lg\n// border-radius values when extending. They're more specific than we'd like\n// with the `.input-group >` part, but without it, we cannot override the sizing.\n\n// stylelint-disable-next-line no-duplicate-selectors\n.input-group {\n  &:not(.has-validation) {\n    > :not(:last-child):not(.dropdown-toggle):not(.dropdown-menu):not(.form-floating),\n    > .dropdown-toggle:nth-last-child(n + 3),\n    > .form-floating:not(:last-child) > .form-control,\n    > .form-floating:not(:last-child) > .form-select {\n      @include border-end-radius(0);\n    }\n  }\n\n  &.has-validation {\n    > :nth-last-child(n + 3):not(.dropdown-toggle):not(.dropdown-menu):not(.form-floating),\n    > .dropdown-toggle:nth-last-child(n + 4),\n    > .form-floating:nth-last-child(n + 3) > .form-control,\n    > .form-floating:nth-last-child(n + 3) > .form-select {\n      @include border-end-radius(0);\n    }\n  }\n\n  $validation-messages: \"\";\n  @each $state in map-keys($form-validation-states) {\n    $validation-messages: $validation-messages + \":not(.\" + unquote($state) + \"-tooltip)\" + \":not(.\" + unquote($state) + \"-feedback)\";\n  }\n\n  > :not(:first-child):not(.dropdown-menu)#{$validation-messages} {\n    margin-left: calc(#{$input-border-width} * -1); // stylelint-disable-line function-disallowed-list\n    @include border-start-radius(0);\n  }\n\n  > .form-floating:not(:first-child) > .form-control,\n  > .form-floating:not(:first-child) > .form-select {\n    @include border-start-radius(0);\n  }\n}\n","// This mixin uses an `if()` technique to be compatible with Dart Sass\n// See https://github.com/sass/sass/issues/1873#issuecomment-152293725 for more details\n\n// scss-docs-start form-validation-mixins\n@mixin form-validation-state-selector($state) {\n  @if ($state == \"valid\" or $state == \"invalid\") {\n    .was-validated #{if(&, \"&\", \"\")}:#{$state},\n    #{if(&, \"&\", \"\")}.is-#{$state} {\n      @content;\n    }\n  } @else {\n    #{if(&, \"&\", \"\")}.is-#{$state} {\n      @content;\n    }\n  }\n}\n\n@mixin form-validation-state(\n  $state,\n  $color,\n  $icon,\n  $tooltip-color: color-contrast($color),\n  $tooltip-bg-color: rgba($color, $form-feedback-tooltip-opacity),\n  $focus-box-shadow: 0 0 $input-btn-focus-blur $input-focus-width rgba($color, $input-btn-focus-color-opacity),\n  $border-color: $color\n) {\n  .#{$state}-feedback {\n    display: none;\n    width: 100%;\n    margin-top: $form-feedback-margin-top;\n    @include font-size($form-feedback-font-size);\n    font-style: $form-feedback-font-style;\n    color: $color;\n  }\n\n  .#{$state}-tooltip {\n    position: absolute;\n    top: 100%;\n    z-index: 5;\n    display: none;\n    max-width: 100%; // Contain to parent when possible\n    padding: $form-feedback-tooltip-padding-y $form-feedback-tooltip-padding-x;\n    margin-top: .1rem;\n    @include font-size($form-feedback-tooltip-font-size);\n    line-height: $form-feedback-tooltip-line-height;\n    color: $tooltip-color;\n    background-color: $tooltip-bg-color;\n    @include border-radius($form-feedback-tooltip-border-radius);\n  }\n\n  @include form-validation-state-selector($state) {\n    ~ .#{$state}-feedback,\n    ~ .#{$state}-tooltip {\n      display: block;\n    }\n  }\n\n  .form-control {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      @if $enable-validation-icons {\n        padding-right: $input-height-inner;\n        background-image: escape-svg($icon);\n        background-repeat: no-repeat;\n        background-position: right $input-height-inner-quarter center;\n        background-size: $input-height-inner-half $input-height-inner-half;\n      }\n\n      &:focus {\n        border-color: $border-color;\n        @if $enable-shadows {\n          @include box-shadow($input-box-shadow, $focus-box-shadow);\n        } @else {\n          // Avoid using mixin so we can pass custom focus shadow properly\n          box-shadow: $focus-box-shadow;\n        }\n      }\n    }\n  }\n\n  // stylelint-disable-next-line selector-no-qualifying-type\n  textarea.form-control {\n    @include form-validation-state-selector($state) {\n      @if $enable-validation-icons {\n        padding-right: $input-height-inner;\n        background-position: top $input-height-inner-quarter right $input-height-inner-quarter;\n      }\n    }\n  }\n\n  .form-select {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      @if $enable-validation-icons {\n        &:not([multiple]):not([size]),\n        &:not([multiple])[size=\"1\"] {\n          --#{$prefix}form-select-bg-icon: #{escape-svg($icon)};\n          padding-right: $form-select-feedback-icon-padding-end;\n          background-position: $form-select-bg-position, $form-select-feedback-icon-position;\n          background-size: $form-select-bg-size, $form-select-feedback-icon-size;\n        }\n      }\n\n      &:focus {\n        border-color: $border-color;\n        @if $enable-shadows {\n          @include box-shadow($form-select-box-shadow, $focus-box-shadow);\n        } @else {\n          // Avoid using mixin so we can pass custom focus shadow properly\n          box-shadow: $focus-box-shadow;\n        }\n      }\n    }\n  }\n\n  .form-control-color {\n    @include form-validation-state-selector($state) {\n      @if $enable-validation-icons {\n        width: add($form-color-width, $input-height-inner);\n      }\n    }\n  }\n\n  .form-check-input {\n    @include form-validation-state-selector($state) {\n      border-color: $border-color;\n\n      &:checked {\n        background-color: $color;\n      }\n\n      &:focus {\n        box-shadow: $focus-box-shadow;\n      }\n\n      ~ .form-check-label {\n        color: $color;\n      }\n    }\n  }\n  .form-check-inline .form-check-input {\n    ~ .#{$state}-feedback {\n      margin-left: .5em;\n    }\n  }\n\n  .input-group {\n    > .form-control:not(:focus),\n    > .form-select:not(:focus),\n    > .form-floating:not(:focus-within) {\n      @include form-validation-state-selector($state) {\n        @if $state == \"valid\" {\n          z-index: 3;\n        } @else if $state == \"invalid\" {\n          z-index: 4;\n        }\n      }\n    }\n  }\n}\n// scss-docs-end form-validation-mixins\n","//\n// Base styles\n//\n\n.btn {\n  // scss-docs-start btn-css-vars\n  --#{$prefix}btn-padding-x: #{$btn-padding-x};\n  --#{$prefix}btn-padding-y: #{$btn-padding-y};\n  --#{$prefix}btn-font-family: #{$btn-font-family};\n  @include rfs($btn-font-size, --#{$prefix}btn-font-size);\n  --#{$prefix}btn-font-weight: #{$btn-font-weight};\n  --#{$prefix}btn-line-height: #{$btn-line-height};\n  --#{$prefix}btn-color: #{$btn-color};\n  --#{$prefix}btn-bg: transparent;\n  --#{$prefix}btn-border-width: #{$btn-border-width};\n  --#{$prefix}btn-border-color: transparent;\n  --#{$prefix}btn-border-radius: #{$btn-border-radius};\n  --#{$prefix}btn-hover-border-color: transparent;\n  --#{$prefix}btn-box-shadow: #{$btn-box-shadow};\n  --#{$prefix}btn-disabled-opacity: #{$btn-disabled-opacity};\n  --#{$prefix}btn-focus-box-shadow: 0 0 0 #{$btn-focus-width} rgba(var(--#{$prefix}btn-focus-shadow-rgb), .5);\n  // scss-docs-end btn-css-vars\n\n  display: inline-block;\n  padding: var(--#{$prefix}btn-padding-y) var(--#{$prefix}btn-padding-x);\n  font-family: var(--#{$prefix}btn-font-family);\n  @include font-size(var(--#{$prefix}btn-font-size));\n  font-weight: var(--#{$prefix}btn-font-weight);\n  line-height: var(--#{$prefix}btn-line-height);\n  color: var(--#{$prefix}btn-color);\n  text-align: center;\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: $btn-white-space;\n  vertical-align: middle;\n  cursor: if($enable-button-pointers, pointer, null);\n  user-select: none;\n  border: var(--#{$prefix}btn-border-width) solid var(--#{$prefix}btn-border-color);\n  @include border-radius(var(--#{$prefix}btn-border-radius));\n  @include gradient-bg(var(--#{$prefix}btn-bg));\n  @include box-shadow(var(--#{$prefix}btn-box-shadow));\n  @include transition($btn-transition);\n\n  &:hover {\n    color: var(--#{$prefix}btn-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    background-color: var(--#{$prefix}btn-hover-bg);\n    border-color: var(--#{$prefix}btn-hover-border-color);\n  }\n\n  .btn-check + &:hover {\n    // override for the checkbox/radio buttons\n    color: var(--#{$prefix}btn-color);\n    background-color: var(--#{$prefix}btn-bg);\n    border-color: var(--#{$prefix}btn-border-color);\n  }\n\n  &:focus-visible {\n    color: var(--#{$prefix}btn-hover-color);\n    @include gradient-bg(var(--#{$prefix}btn-hover-bg));\n    border-color: var(--#{$prefix}btn-hover-border-color);\n    outline: 0;\n    // Avoid using mixin so we can pass custom focus shadow properly\n    @if $enable-shadows {\n      box-shadow: var(--#{$prefix}btn-box-shadow), var(--#{$prefix}btn-focus-box-shadow);\n    } @else {\n      box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n    }\n  }\n\n  .btn-check:focus-visible + & {\n    border-color: var(--#{$prefix}btn-hover-border-color);\n    outline: 0;\n    // Avoid using mixin so we can pass custom focus shadow properly\n    @if $enable-shadows {\n      box-shadow: var(--#{$prefix}btn-box-shadow), var(--#{$prefix}btn-focus-box-shadow);\n    } @else {\n      box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n    }\n  }\n\n  .btn-check:checked + &,\n  :not(.btn-check) + &:active,\n  &:first-child:active,\n  &.active,\n  &.show {\n    color: var(--#{$prefix}btn-active-color);\n    background-color: var(--#{$prefix}btn-active-bg);\n    // Remove CSS gradients if they're enabled\n    background-image: if($enable-gradients, none, null);\n    border-color: var(--#{$prefix}btn-active-border-color);\n    @include box-shadow(var(--#{$prefix}btn-active-shadow));\n\n    &:focus-visible {\n      // Avoid using mixin so we can pass custom focus shadow properly\n      @if $enable-shadows {\n        box-shadow: var(--#{$prefix}btn-active-shadow), var(--#{$prefix}btn-focus-box-shadow);\n      } @else {\n        box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n      }\n    }\n  }\n\n  .btn-check:checked:focus-visible + & {\n    // Avoid using mixin so we can pass custom focus shadow properly\n    @if $enable-shadows {\n      box-shadow: var(--#{$prefix}btn-active-shadow), var(--#{$prefix}btn-focus-box-shadow);\n    } @else {\n      box-shadow: var(--#{$prefix}btn-focus-box-shadow);\n    }\n  }\n\n  &:disabled,\n  &.disabled,\n  fieldset:disabled & {\n    color: var(--#{$prefix}btn-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}btn-disabled-bg);\n    background-image: if($enable-gradients, none, null);\n    border-color: var(--#{$prefix}btn-disabled-border-color);\n    opacity: var(--#{$prefix}btn-disabled-opacity);\n    @include box-shadow(none);\n  }\n}\n\n\n//\n// Alternate buttons\n//\n\n// scss-docs-start btn-variant-loops\n@each $color, $value in $theme-colors {\n  .btn-#{$color} {\n    @if $color == \"light\" {\n      @include button-variant(\n        $value,\n        $value,\n        $hover-background: shade-color($value, $btn-hover-bg-shade-amount),\n        $hover-border: shade-color($value, $btn-hover-border-shade-amount),\n        $active-background: shade-color($value, $btn-active-bg-shade-amount),\n        $active-border: shade-color($value, $btn-active-border-shade-amount)\n      );\n    } @else if $color == \"dark\" {\n      @include button-variant(\n        $value,\n        $value,\n        $hover-background: tint-color($value, $btn-hover-bg-tint-amount),\n        $hover-border: tint-color($value, $btn-hover-border-tint-amount),\n        $active-background: tint-color($value, $btn-active-bg-tint-amount),\n        $active-border: tint-color($value, $btn-active-border-tint-amount)\n      );\n    } @else {\n      @include button-variant($value, $value);\n    }\n  }\n}\n\n@each $color, $value in $theme-colors {\n  .btn-outline-#{$color} {\n    @include button-outline-variant($value);\n  }\n}\n// scss-docs-end btn-variant-loops\n\n\n//\n// Link buttons\n//\n\n// Make a button look and behave like a link\n.btn-link {\n  --#{$prefix}btn-font-weight: #{$font-weight-normal};\n  --#{$prefix}btn-color: #{$btn-link-color};\n  --#{$prefix}btn-bg: transparent;\n  --#{$prefix}btn-border-color: transparent;\n  --#{$prefix}btn-hover-color: #{$btn-link-hover-color};\n  --#{$prefix}btn-hover-border-color: transparent;\n  --#{$prefix}btn-active-color: #{$btn-link-hover-color};\n  --#{$prefix}btn-active-border-color: transparent;\n  --#{$prefix}btn-disabled-color: #{$btn-link-disabled-color};\n  --#{$prefix}btn-disabled-border-color: transparent;\n  --#{$prefix}btn-box-shadow: 0 0 0 #000; // Can't use `none` as keyword negates all values when used with multiple shadows\n  --#{$prefix}btn-focus-shadow-rgb: #{$btn-link-focus-shadow-rgb};\n\n  text-decoration: $link-decoration;\n  @if $enable-gradients {\n    background-image: none;\n  }\n\n  &:hover,\n  &:focus-visible {\n    text-decoration: $link-hover-decoration;\n  }\n\n  &:focus-visible {\n    color: var(--#{$prefix}btn-color);\n  }\n\n  &:hover {\n    color: var(--#{$prefix}btn-hover-color);\n  }\n\n  // No need for an active state here\n}\n\n\n//\n// Button Sizes\n//\n\n.btn-lg {\n  @include button-size($btn-padding-y-lg, $btn-padding-x-lg, $btn-font-size-lg, $btn-border-radius-lg);\n}\n\n.btn-sm {\n  @include button-size($btn-padding-y-sm, $btn-padding-x-sm, $btn-font-size-sm, $btn-border-radius-sm);\n}\n","// Button variants\n//\n// Easily pump out default styles, as well as :hover, :focus, :active,\n// and disabled options for all buttons\n\n// scss-docs-start btn-variant-mixin\n@mixin button-variant(\n  $background,\n  $border,\n  $color: color-contrast($background),\n  $hover-background: if($color == $color-contrast-light, shade-color($background, $btn-hover-bg-shade-amount), tint-color($background, $btn-hover-bg-tint-amount)),\n  $hover-border: if($color == $color-contrast-light, shade-color($border, $btn-hover-border-shade-amount), tint-color($border, $btn-hover-border-tint-amount)),\n  $hover-color: color-contrast($hover-background),\n  $active-background: if($color == $color-contrast-light, shade-color($background, $btn-active-bg-shade-amount), tint-color($background, $btn-active-bg-tint-amount)),\n  $active-border: if($color == $color-contrast-light, shade-color($border, $btn-active-border-shade-amount), tint-color($border, $btn-active-border-tint-amount)),\n  $active-color: color-contrast($active-background),\n  $disabled-background: $background,\n  $disabled-border: $border,\n  $disabled-color: color-contrast($disabled-background)\n) {\n  --#{$prefix}btn-color: #{$color};\n  --#{$prefix}btn-bg: #{$background};\n  --#{$prefix}btn-border-color: #{$border};\n  --#{$prefix}btn-hover-color: #{$hover-color};\n  --#{$prefix}btn-hover-bg: #{$hover-background};\n  --#{$prefix}btn-hover-border-color: #{$hover-border};\n  --#{$prefix}btn-focus-shadow-rgb: #{to-rgb(mix($color, $border, 15%))};\n  --#{$prefix}btn-active-color: #{$active-color};\n  --#{$prefix}btn-active-bg: #{$active-background};\n  --#{$prefix}btn-active-border-color: #{$active-border};\n  --#{$prefix}btn-active-shadow: #{$btn-active-box-shadow};\n  --#{$prefix}btn-disabled-color: #{$disabled-color};\n  --#{$prefix}btn-disabled-bg: #{$disabled-background};\n  --#{$prefix}btn-disabled-border-color: #{$disabled-border};\n}\n// scss-docs-end btn-variant-mixin\n\n// scss-docs-start btn-outline-variant-mixin\n@mixin button-outline-variant(\n  $color,\n  $color-hover: color-contrast($color),\n  $active-background: $color,\n  $active-border: $color,\n  $active-color: color-contrast($active-background)\n) {\n  --#{$prefix}btn-color: #{$color};\n  --#{$prefix}btn-border-color: #{$color};\n  --#{$prefix}btn-hover-color: #{$color-hover};\n  --#{$prefix}btn-hover-bg: #{$active-background};\n  --#{$prefix}btn-hover-border-color: #{$active-border};\n  --#{$prefix}btn-focus-shadow-rgb: #{to-rgb($color)};\n  --#{$prefix}btn-active-color: #{$active-color};\n  --#{$prefix}btn-active-bg: #{$active-background};\n  --#{$prefix}btn-active-border-color: #{$active-border};\n  --#{$prefix}btn-active-shadow: #{$btn-active-box-shadow};\n  --#{$prefix}btn-disabled-color: #{$color};\n  --#{$prefix}btn-disabled-bg: transparent;\n  --#{$prefix}btn-disabled-border-color: #{$color};\n  --#{$prefix}gradient: none;\n}\n// scss-docs-end btn-outline-variant-mixin\n\n// scss-docs-start btn-size-mixin\n@mixin button-size($padding-y, $padding-x, $font-size, $border-radius) {\n  --#{$prefix}btn-padding-y: #{$padding-y};\n  --#{$prefix}btn-padding-x: #{$padding-x};\n  @include rfs($font-size, --#{$prefix}btn-font-size);\n  --#{$prefix}btn-border-radius: #{$border-radius};\n}\n// scss-docs-end btn-size-mixin\n",".fade {\n  @include transition($transition-fade);\n\n  &:not(.show) {\n    opacity: 0;\n  }\n}\n\n// scss-docs-start collapse-classes\n.collapse {\n  &:not(.show) {\n    display: none;\n  }\n}\n\n.collapsing {\n  height: 0;\n  overflow: hidden;\n  @include transition($transition-collapse);\n\n  &.collapse-horizontal {\n    width: 0;\n    height: auto;\n    @include transition($transition-collapse-width);\n  }\n}\n// scss-docs-end collapse-classes\n","// The dropdown wrapper (`<div>`)\n.dropup,\n.dropend,\n.dropdown,\n.dropstart,\n.dropup-center,\n.dropdown-center {\n  position: relative;\n}\n\n.dropdown-toggle {\n  white-space: nowrap;\n\n  // Generate the caret automatically\n  @include caret();\n}\n\n// The dropdown menu\n.dropdown-menu {\n  // scss-docs-start dropdown-css-vars\n  --#{$prefix}dropdown-zindex: #{$zindex-dropdown};\n  --#{$prefix}dropdown-min-width: #{$dropdown-min-width};\n  --#{$prefix}dropdown-padding-x: #{$dropdown-padding-x};\n  --#{$prefix}dropdown-padding-y: #{$dropdown-padding-y};\n  --#{$prefix}dropdown-spacer: #{$dropdown-spacer};\n  @include rfs($dropdown-font-size, --#{$prefix}dropdown-font-size);\n  --#{$prefix}dropdown-color: #{$dropdown-color};\n  --#{$prefix}dropdown-bg: #{$dropdown-bg};\n  --#{$prefix}dropdown-border-color: #{$dropdown-border-color};\n  --#{$prefix}dropdown-border-radius: #{$dropdown-border-radius};\n  --#{$prefix}dropdown-border-width: #{$dropdown-border-width};\n  --#{$prefix}dropdown-inner-border-radius: #{$dropdown-inner-border-radius};\n  --#{$prefix}dropdown-divider-bg: #{$dropdown-divider-bg};\n  --#{$prefix}dropdown-divider-margin-y: #{$dropdown-divider-margin-y};\n  --#{$prefix}dropdown-box-shadow: #{$dropdown-box-shadow};\n  --#{$prefix}dropdown-link-color: #{$dropdown-link-color};\n  --#{$prefix}dropdown-link-hover-color: #{$dropdown-link-hover-color};\n  --#{$prefix}dropdown-link-hover-bg: #{$dropdown-link-hover-bg};\n  --#{$prefix}dropdown-link-active-color: #{$dropdown-link-active-color};\n  --#{$prefix}dropdown-link-active-bg: #{$dropdown-link-active-bg};\n  --#{$prefix}dropdown-link-disabled-color: #{$dropdown-link-disabled-color};\n  --#{$prefix}dropdown-item-padding-x: #{$dropdown-item-padding-x};\n  --#{$prefix}dropdown-item-padding-y: #{$dropdown-item-padding-y};\n  --#{$prefix}dropdown-header-color: #{$dropdown-header-color};\n  --#{$prefix}dropdown-header-padding-x: #{$dropdown-header-padding-x};\n  --#{$prefix}dropdown-header-padding-y: #{$dropdown-header-padding-y};\n  // scss-docs-end dropdown-css-vars\n\n  position: absolute;\n  z-index: var(--#{$prefix}dropdown-zindex);\n  display: none; // none by default, but block on \"open\" of the menu\n  min-width: var(--#{$prefix}dropdown-min-width);\n  padding: var(--#{$prefix}dropdown-padding-y) var(--#{$prefix}dropdown-padding-x);\n  margin: 0; // Override default margin of ul\n  @include font-size(var(--#{$prefix}dropdown-font-size));\n  color: var(--#{$prefix}dropdown-color);\n  text-align: left; // Ensures proper alignment if parent has it changed (e.g., modal footer)\n  list-style: none;\n  background-color: var(--#{$prefix}dropdown-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}dropdown-border-width) solid var(--#{$prefix}dropdown-border-color);\n  @include border-radius(var(--#{$prefix}dropdown-border-radius));\n  @include box-shadow(var(--#{$prefix}dropdown-box-shadow));\n\n  &[data-bs-popper] {\n    top: 100%;\n    left: 0;\n    margin-top: var(--#{$prefix}dropdown-spacer);\n  }\n\n  @if $dropdown-padding-y == 0 {\n    > .dropdown-item:first-child,\n    > li:first-child .dropdown-item {\n      @include border-top-radius(var(--#{$prefix}dropdown-inner-border-radius));\n    }\n    > .dropdown-item:last-child,\n    > li:last-child .dropdown-item {\n      @include border-bottom-radius(var(--#{$prefix}dropdown-inner-border-radius));\n    }\n\n  }\n}\n\n// scss-docs-start responsive-breakpoints\n// We deliberately hardcode the `bs-` prefix because we check\n// this custom property in JS to determine Popper's positioning\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .dropdown-menu#{$infix}-start {\n      --bs-position: start;\n\n      &[data-bs-popper] {\n        right: auto;\n        left: 0;\n      }\n    }\n\n    .dropdown-menu#{$infix}-end {\n      --bs-position: end;\n\n      &[data-bs-popper] {\n        right: 0;\n        left: auto;\n      }\n    }\n  }\n}\n// scss-docs-end responsive-breakpoints\n\n// Allow for dropdowns to go bottom up (aka, dropup-menu)\n// Just add .dropup after the standard .dropdown class and you're set.\n.dropup {\n  .dropdown-menu[data-bs-popper] {\n    top: auto;\n    bottom: 100%;\n    margin-top: 0;\n    margin-bottom: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(up);\n  }\n}\n\n.dropend {\n  .dropdown-menu[data-bs-popper] {\n    top: 0;\n    right: auto;\n    left: 100%;\n    margin-top: 0;\n    margin-left: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(end);\n    &::after {\n      vertical-align: 0;\n    }\n  }\n}\n\n.dropstart {\n  .dropdown-menu[data-bs-popper] {\n    top: 0;\n    right: 100%;\n    left: auto;\n    margin-top: 0;\n    margin-right: var(--#{$prefix}dropdown-spacer);\n  }\n\n  .dropdown-toggle {\n    @include caret(start);\n    &::before {\n      vertical-align: 0;\n    }\n  }\n}\n\n\n// Dividers (basically an `<hr>`) within the dropdown\n.dropdown-divider {\n  height: 0;\n  margin: var(--#{$prefix}dropdown-divider-margin-y) 0;\n  overflow: hidden;\n  border-top: 1px solid var(--#{$prefix}dropdown-divider-bg);\n  opacity: 1; // Revisit in v6 to de-dupe styles that conflict with <hr> element\n}\n\n// Links, buttons, and more within the dropdown menu\n//\n// `<button>`-specific styles are denoted with `// For <button>s`\n.dropdown-item {\n  display: block;\n  width: 100%; // For `<button>`s\n  padding: var(--#{$prefix}dropdown-item-padding-y) var(--#{$prefix}dropdown-item-padding-x);\n  clear: both;\n  font-weight: $font-weight-normal;\n  color: var(--#{$prefix}dropdown-link-color);\n  text-align: inherit; // For `<button>`s\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: nowrap; // prevent links from randomly breaking onto new lines\n  background-color: transparent; // For `<button>`s\n  border: 0; // For `<button>`s\n  @include border-radius(var(--#{$prefix}dropdown-item-border-radius, 0));\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}dropdown-link-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    @include gradient-bg(var(--#{$prefix}dropdown-link-hover-bg));\n  }\n\n  &.active,\n  &:active {\n    color: var(--#{$prefix}dropdown-link-active-color);\n    text-decoration: none;\n    @include gradient-bg(var(--#{$prefix}dropdown-link-active-bg));\n  }\n\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}dropdown-link-disabled-color);\n    pointer-events: none;\n    background-color: transparent;\n    // Remove CSS gradients if they're enabled\n    background-image: if($enable-gradients, none, null);\n  }\n}\n\n.dropdown-menu.show {\n  display: block;\n}\n\n// Dropdown section headers\n.dropdown-header {\n  display: block;\n  padding: var(--#{$prefix}dropdown-header-padding-y) var(--#{$prefix}dropdown-header-padding-x);\n  margin-bottom: 0; // for use with heading elements\n  @include font-size($font-size-sm);\n  color: var(--#{$prefix}dropdown-header-color);\n  white-space: nowrap; // as with > li > a\n}\n\n// Dropdown text\n.dropdown-item-text {\n  display: block;\n  padding: var(--#{$prefix}dropdown-item-padding-y) var(--#{$prefix}dropdown-item-padding-x);\n  color: var(--#{$prefix}dropdown-link-color);\n}\n\n// Dark dropdowns\n.dropdown-menu-dark {\n  // scss-docs-start dropdown-dark-css-vars\n  --#{$prefix}dropdown-color: #{$dropdown-dark-color};\n  --#{$prefix}dropdown-bg: #{$dropdown-dark-bg};\n  --#{$prefix}dropdown-border-color: #{$dropdown-dark-border-color};\n  --#{$prefix}dropdown-box-shadow: #{$dropdown-dark-box-shadow};\n  --#{$prefix}dropdown-link-color: #{$dropdown-dark-link-color};\n  --#{$prefix}dropdown-link-hover-color: #{$dropdown-dark-link-hover-color};\n  --#{$prefix}dropdown-divider-bg: #{$dropdown-dark-divider-bg};\n  --#{$prefix}dropdown-link-hover-bg: #{$dropdown-dark-link-hover-bg};\n  --#{$prefix}dropdown-link-active-color: #{$dropdown-dark-link-active-color};\n  --#{$prefix}dropdown-link-active-bg: #{$dropdown-dark-link-active-bg};\n  --#{$prefix}dropdown-link-disabled-color: #{$dropdown-dark-link-disabled-color};\n  --#{$prefix}dropdown-header-color: #{$dropdown-dark-header-color};\n  // scss-docs-end dropdown-dark-css-vars\n}\n","// scss-docs-start caret-mixins\n@mixin caret-down($width: $caret-width) {\n  border-top: $width solid;\n  border-right: $width solid transparent;\n  border-bottom: 0;\n  border-left: $width solid transparent;\n}\n\n@mixin caret-up($width: $caret-width) {\n  border-top: 0;\n  border-right: $width solid transparent;\n  border-bottom: $width solid;\n  border-left: $width solid transparent;\n}\n\n@mixin caret-end($width: $caret-width) {\n  border-top: $width solid transparent;\n  border-right: 0;\n  border-bottom: $width solid transparent;\n  border-left: $width solid;\n}\n\n@mixin caret-start($width: $caret-width) {\n  border-top: $width solid transparent;\n  border-right: $width solid;\n  border-bottom: $width solid transparent;\n}\n\n@mixin caret(\n  $direction: down,\n  $width: $caret-width,\n  $spacing: $caret-spacing,\n  $vertical-align: $caret-vertical-align\n) {\n  @if $enable-caret {\n    &::after {\n      display: inline-block;\n      margin-left: $spacing;\n      vertical-align: $vertical-align;\n      content: \"\";\n      @if $direction == down {\n        @include caret-down($width);\n      } @else if $direction == up {\n        @include caret-up($width);\n      } @else if $direction == end {\n        @include caret-end($width);\n      }\n    }\n\n    @if $direction == start {\n      &::after {\n        display: none;\n      }\n\n      &::before {\n        display: inline-block;\n        margin-right: $spacing;\n        vertical-align: $vertical-align;\n        content: \"\";\n        @include caret-start($width);\n      }\n    }\n\n    &:empty::after {\n      margin-left: 0;\n    }\n  }\n}\n// scss-docs-end caret-mixins\n","// Make the div behave like a button\n.btn-group,\n.btn-group-vertical {\n  position: relative;\n  display: inline-flex;\n  vertical-align: middle; // match .btn alignment given font-size hack above\n\n  > .btn {\n    position: relative;\n    flex: 1 1 auto;\n  }\n\n  // Bring the hover, focused, and \"active\" buttons to the front to overlay\n  // the borders properly\n  > .btn-check:checked + .btn,\n  > .btn-check:focus + .btn,\n  > .btn:hover,\n  > .btn:focus,\n  > .btn:active,\n  > .btn.active {\n    z-index: 1;\n  }\n}\n\n// Optional: Group multiple button groups together for a toolbar\n.btn-toolbar {\n  display: flex;\n  flex-wrap: wrap;\n  justify-content: flex-start;\n\n  .input-group {\n    width: auto;\n  }\n}\n\n.btn-group {\n  @include border-radius($btn-border-radius);\n\n  // Prevent double borders when buttons are next to each other\n  > :not(.btn-check:first-child) + .btn,\n  > .btn-group:not(:first-child) {\n    margin-left: calc(#{$btn-border-width} * -1); // stylelint-disable-line function-disallowed-list\n  }\n\n  // Reset rounded corners\n  > .btn:not(:last-child):not(.dropdown-toggle),\n  > .btn.dropdown-toggle-split:first-child,\n  > .btn-group:not(:last-child) > .btn {\n    @include border-end-radius(0);\n  }\n\n  // The left radius should be 0 if the button is:\n  // - the \"third or more\" child\n  // - the second child and the previous element isn't `.btn-check` (making it the first child visually)\n  // - part of a btn-group which isn't the first child\n  > .btn:nth-child(n + 3),\n  > :not(.btn-check) + .btn,\n  > .btn-group:not(:first-child) > .btn {\n    @include border-start-radius(0);\n  }\n}\n\n// Sizing\n//\n// Remix the default button sizing classes into new ones for easier manipulation.\n\n.btn-group-sm > .btn { @extend .btn-sm; }\n.btn-group-lg > .btn { @extend .btn-lg; }\n\n\n//\n// Split button dropdowns\n//\n\n.dropdown-toggle-split {\n  padding-right: $btn-padding-x * .75;\n  padding-left: $btn-padding-x * .75;\n\n  &::after,\n  .dropup &::after,\n  .dropend &::after {\n    margin-left: 0;\n  }\n\n  .dropstart &::before {\n    margin-right: 0;\n  }\n}\n\n.btn-sm + .dropdown-toggle-split {\n  padding-right: $btn-padding-x-sm * .75;\n  padding-left: $btn-padding-x-sm * .75;\n}\n\n.btn-lg + .dropdown-toggle-split {\n  padding-right: $btn-padding-x-lg * .75;\n  padding-left: $btn-padding-x-lg * .75;\n}\n\n\n// The clickable button for toggling the menu\n// Set the same inset shadow as the :active state\n.btn-group.show .dropdown-toggle {\n  @include box-shadow($btn-active-box-shadow);\n\n  // Show no shadow for `.btn-link` since it has no other button styles.\n  &.btn-link {\n    @include box-shadow(none);\n  }\n}\n\n\n//\n// Vertical button groups\n//\n\n.btn-group-vertical {\n  flex-direction: column;\n  align-items: flex-start;\n  justify-content: center;\n\n  > .btn,\n  > .btn-group {\n    width: 100%;\n  }\n\n  > .btn:not(:first-child),\n  > .btn-group:not(:first-child) {\n    margin-top: calc(#{$btn-border-width} * -1); // stylelint-disable-line function-disallowed-list\n  }\n\n  // Reset rounded corners\n  > .btn:not(:last-child):not(.dropdown-toggle),\n  > .btn-group:not(:last-child) > .btn {\n    @include border-bottom-radius(0);\n  }\n\n  > .btn ~ .btn,\n  > .btn-group:not(:first-child) > .btn {\n    @include border-top-radius(0);\n  }\n}\n","// Base class\n//\n// Kickstart any navigation component with a set of style resets. Works with\n// `<nav>`s, `<ul>`s or `<ol>`s.\n\n.nav {\n  // scss-docs-start nav-css-vars\n  --#{$prefix}nav-link-padding-x: #{$nav-link-padding-x};\n  --#{$prefix}nav-link-padding-y: #{$nav-link-padding-y};\n  @include rfs($nav-link-font-size, --#{$prefix}nav-link-font-size);\n  --#{$prefix}nav-link-font-weight: #{$nav-link-font-weight};\n  --#{$prefix}nav-link-color: #{$nav-link-color};\n  --#{$prefix}nav-link-hover-color: #{$nav-link-hover-color};\n  --#{$prefix}nav-link-disabled-color: #{$nav-link-disabled-color};\n  // scss-docs-end nav-css-vars\n\n  display: flex;\n  flex-wrap: wrap;\n  padding-left: 0;\n  margin-bottom: 0;\n  list-style: none;\n}\n\n.nav-link {\n  display: block;\n  padding: var(--#{$prefix}nav-link-padding-y) var(--#{$prefix}nav-link-padding-x);\n  @include font-size(var(--#{$prefix}nav-link-font-size));\n  font-weight: var(--#{$prefix}nav-link-font-weight);\n  color: var(--#{$prefix}nav-link-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background: none;\n  border: 0;\n  @include transition($nav-link-transition);\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}nav-link-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n\n  &:focus-visible {\n    outline: 0;\n    box-shadow: $nav-link-focus-box-shadow;\n  }\n\n  // Disabled state lightens text\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}nav-link-disabled-color);\n    pointer-events: none;\n    cursor: default;\n  }\n}\n\n//\n// Tabs\n//\n\n.nav-tabs {\n  // scss-docs-start nav-tabs-css-vars\n  --#{$prefix}nav-tabs-border-width: #{$nav-tabs-border-width};\n  --#{$prefix}nav-tabs-border-color: #{$nav-tabs-border-color};\n  --#{$prefix}nav-tabs-border-radius: #{$nav-tabs-border-radius};\n  --#{$prefix}nav-tabs-link-hover-border-color: #{$nav-tabs-link-hover-border-color};\n  --#{$prefix}nav-tabs-link-active-color: #{$nav-tabs-link-active-color};\n  --#{$prefix}nav-tabs-link-active-bg: #{$nav-tabs-link-active-bg};\n  --#{$prefix}nav-tabs-link-active-border-color: #{$nav-tabs-link-active-border-color};\n  // scss-docs-end nav-tabs-css-vars\n\n  border-bottom: var(--#{$prefix}nav-tabs-border-width) solid var(--#{$prefix}nav-tabs-border-color);\n\n  .nav-link {\n    margin-bottom: calc(-1 * var(--#{$prefix}nav-tabs-border-width)); // stylelint-disable-line function-disallowed-list\n    border: var(--#{$prefix}nav-tabs-border-width) solid transparent;\n    @include border-top-radius(var(--#{$prefix}nav-tabs-border-radius));\n\n    &:hover,\n    &:focus {\n      // Prevents active .nav-link tab overlapping focus outline of previous/next .nav-link\n      isolation: isolate;\n      border-color: var(--#{$prefix}nav-tabs-link-hover-border-color);\n    }\n  }\n\n  .nav-link.active,\n  .nav-item.show .nav-link {\n    color: var(--#{$prefix}nav-tabs-link-active-color);\n    background-color: var(--#{$prefix}nav-tabs-link-active-bg);\n    border-color: var(--#{$prefix}nav-tabs-link-active-border-color);\n  }\n\n  .dropdown-menu {\n    // Make dropdown border overlap tab border\n    margin-top: calc(-1 * var(--#{$prefix}nav-tabs-border-width)); // stylelint-disable-line function-disallowed-list\n    // Remove the top rounded corners here since there is a hard edge above the menu\n    @include border-top-radius(0);\n  }\n}\n\n\n//\n// Pills\n//\n\n.nav-pills {\n  // scss-docs-start nav-pills-css-vars\n  --#{$prefix}nav-pills-border-radius: #{$nav-pills-border-radius};\n  --#{$prefix}nav-pills-link-active-color: #{$nav-pills-link-active-color};\n  --#{$prefix}nav-pills-link-active-bg: #{$nav-pills-link-active-bg};\n  // scss-docs-end nav-pills-css-vars\n\n  .nav-link {\n    @include border-radius(var(--#{$prefix}nav-pills-border-radius));\n  }\n\n  .nav-link.active,\n  .show > .nav-link {\n    color: var(--#{$prefix}nav-pills-link-active-color);\n    @include gradient-bg(var(--#{$prefix}nav-pills-link-active-bg));\n  }\n}\n\n\n//\n// Underline\n//\n\n.nav-underline {\n  // scss-docs-start nav-underline-css-vars\n  --#{$prefix}nav-underline-gap: #{$nav-underline-gap};\n  --#{$prefix}nav-underline-border-width: #{$nav-underline-border-width};\n  --#{$prefix}nav-underline-link-active-color: #{$nav-underline-link-active-color};\n  // scss-docs-end nav-underline-css-vars\n\n  gap: var(--#{$prefix}nav-underline-gap);\n\n  .nav-link {\n    padding-right: 0;\n    padding-left: 0;\n    border-bottom: var(--#{$prefix}nav-underline-border-width) solid transparent;\n\n    &:hover,\n    &:focus {\n      border-bottom-color: currentcolor;\n    }\n  }\n\n  .nav-link.active,\n  .show > .nav-link {\n    font-weight: $font-weight-bold;\n    color: var(--#{$prefix}nav-underline-link-active-color);\n    border-bottom-color: currentcolor;\n  }\n}\n\n\n//\n// Justified variants\n//\n\n.nav-fill {\n  > .nav-link,\n  .nav-item {\n    flex: 1 1 auto;\n    text-align: center;\n  }\n}\n\n.nav-justified {\n  > .nav-link,\n  .nav-item {\n    flex-basis: 0;\n    flex-grow: 1;\n    text-align: center;\n  }\n}\n\n.nav-fill,\n.nav-justified {\n  .nav-item .nav-link {\n    width: 100%; // Make sure button will grow\n  }\n}\n\n\n// Tabbable tabs\n//\n// Hide tabbable panes to start, show them when `.active`\n\n.tab-content {\n  > .tab-pane {\n    display: none;\n  }\n  > .active {\n    display: block;\n  }\n}\n","// Navbar\n//\n// Provide a static navbar from which we expand to create full-width, fixed, and\n// other navbar variations.\n\n.navbar {\n  // scss-docs-start navbar-css-vars\n  --#{$prefix}navbar-padding-x: #{if($navbar-padding-x == null, 0, $navbar-padding-x)};\n  --#{$prefix}navbar-padding-y: #{$navbar-padding-y};\n  --#{$prefix}navbar-color: #{$navbar-light-color};\n  --#{$prefix}navbar-hover-color: #{$navbar-light-hover-color};\n  --#{$prefix}navbar-disabled-color: #{$navbar-light-disabled-color};\n  --#{$prefix}navbar-active-color: #{$navbar-light-active-color};\n  --#{$prefix}navbar-brand-padding-y: #{$navbar-brand-padding-y};\n  --#{$prefix}navbar-brand-margin-end: #{$navbar-brand-margin-end};\n  --#{$prefix}navbar-brand-font-size: #{$navbar-brand-font-size};\n  --#{$prefix}navbar-brand-color: #{$navbar-light-brand-color};\n  --#{$prefix}navbar-brand-hover-color: #{$navbar-light-brand-hover-color};\n  --#{$prefix}navbar-nav-link-padding-x: #{$navbar-nav-link-padding-x};\n  --#{$prefix}navbar-toggler-padding-y: #{$navbar-toggler-padding-y};\n  --#{$prefix}navbar-toggler-padding-x: #{$navbar-toggler-padding-x};\n  --#{$prefix}navbar-toggler-font-size: #{$navbar-toggler-font-size};\n  --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-light-toggler-icon-bg)};\n  --#{$prefix}navbar-toggler-border-color: #{$navbar-light-toggler-border-color};\n  --#{$prefix}navbar-toggler-border-radius: #{$navbar-toggler-border-radius};\n  --#{$prefix}navbar-toggler-focus-width: #{$navbar-toggler-focus-width};\n  --#{$prefix}navbar-toggler-transition: #{$navbar-toggler-transition};\n  // scss-docs-end navbar-css-vars\n\n  position: relative;\n  display: flex;\n  flex-wrap: wrap; // allow us to do the line break for collapsing content\n  align-items: center;\n  justify-content: space-between; // space out brand from logo\n  padding: var(--#{$prefix}navbar-padding-y) var(--#{$prefix}navbar-padding-x);\n  @include gradient-bg();\n\n  // Because flex properties aren't inherited, we need to redeclare these first\n  // few properties so that content nested within behave properly.\n  // The `flex-wrap` property is inherited to simplify the expanded navbars\n  %container-flex-properties {\n    display: flex;\n    flex-wrap: inherit;\n    align-items: center;\n    justify-content: space-between;\n  }\n\n  > .container,\n  > .container-fluid {\n    @extend %container-flex-properties;\n  }\n\n  @each $breakpoint, $container-max-width in $container-max-widths {\n    > .container#{breakpoint-infix($breakpoint, $container-max-widths)} {\n      @extend %container-flex-properties;\n    }\n  }\n}\n\n\n// Navbar brand\n//\n// Used for brand, project, or site names.\n\n.navbar-brand {\n  padding-top: var(--#{$prefix}navbar-brand-padding-y);\n  padding-bottom: var(--#{$prefix}navbar-brand-padding-y);\n  margin-right: var(--#{$prefix}navbar-brand-margin-end);\n  @include font-size(var(--#{$prefix}navbar-brand-font-size));\n  color: var(--#{$prefix}navbar-brand-color);\n  text-decoration: if($link-decoration == none, null, none);\n  white-space: nowrap;\n\n  &:hover,\n  &:focus {\n    color: var(--#{$prefix}navbar-brand-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n}\n\n\n// Navbar nav\n//\n// Custom navbar navigation (doesn't require `.nav`, but does make use of `.nav-link`).\n\n.navbar-nav {\n  // scss-docs-start navbar-nav-css-vars\n  --#{$prefix}nav-link-padding-x: 0;\n  --#{$prefix}nav-link-padding-y: #{$nav-link-padding-y};\n  @include rfs($nav-link-font-size, --#{$prefix}nav-link-font-size);\n  --#{$prefix}nav-link-font-weight: #{$nav-link-font-weight};\n  --#{$prefix}nav-link-color: var(--#{$prefix}navbar-color);\n  --#{$prefix}nav-link-hover-color: var(--#{$prefix}navbar-hover-color);\n  --#{$prefix}nav-link-disabled-color: var(--#{$prefix}navbar-disabled-color);\n  // scss-docs-end navbar-nav-css-vars\n\n  display: flex;\n  flex-direction: column; // cannot use `inherit` to get the `.navbar`s value\n  padding-left: 0;\n  margin-bottom: 0;\n  list-style: none;\n\n  .nav-link {\n    &.active,\n    &.show {\n      color: var(--#{$prefix}navbar-active-color);\n    }\n  }\n\n  .dropdown-menu {\n    position: static;\n  }\n}\n\n\n// Navbar text\n//\n//\n\n.navbar-text {\n  padding-top: $nav-link-padding-y;\n  padding-bottom: $nav-link-padding-y;\n  color: var(--#{$prefix}navbar-color);\n\n  a,\n  a:hover,\n  a:focus  {\n    color: var(--#{$prefix}navbar-active-color);\n  }\n}\n\n\n// Responsive navbar\n//\n// Custom styles for responsive collapsing and toggling of navbar contents.\n// Powered by the collapse Bootstrap JavaScript plugin.\n\n// When collapsed, prevent the toggleable navbar contents from appearing in\n// the default flexbox row orientation. Requires the use of `flex-wrap: wrap`\n// on the `.navbar` parent.\n.navbar-collapse {\n  flex-basis: 100%;\n  flex-grow: 1;\n  // For always expanded or extra full navbars, ensure content aligns itself\n  // properly vertically. Can be easily overridden with flex utilities.\n  align-items: center;\n}\n\n// Button for toggling the navbar when in its collapsed state\n.navbar-toggler {\n  padding: var(--#{$prefix}navbar-toggler-padding-y) var(--#{$prefix}navbar-toggler-padding-x);\n  @include font-size(var(--#{$prefix}navbar-toggler-font-size));\n  line-height: 1;\n  color: var(--#{$prefix}navbar-color);\n  background-color: transparent; // remove default button style\n  border: var(--#{$prefix}border-width) solid var(--#{$prefix}navbar-toggler-border-color); // remove default button style\n  @include border-radius(var(--#{$prefix}navbar-toggler-border-radius));\n  @include transition(var(--#{$prefix}navbar-toggler-transition));\n\n  &:hover {\n    text-decoration: none;\n  }\n\n  &:focus {\n    text-decoration: none;\n    outline: 0;\n    box-shadow: 0 0 0 var(--#{$prefix}navbar-toggler-focus-width);\n  }\n}\n\n// Keep as a separate element so folks can easily override it with another icon\n// or image file as needed.\n.navbar-toggler-icon {\n  display: inline-block;\n  width: 1.5em;\n  height: 1.5em;\n  vertical-align: middle;\n  background-image: var(--#{$prefix}navbar-toggler-icon-bg);\n  background-repeat: no-repeat;\n  background-position: center;\n  background-size: 100%;\n}\n\n.navbar-nav-scroll {\n  max-height: var(--#{$prefix}scroll-height, 75vh);\n  overflow-y: auto;\n}\n\n// scss-docs-start navbar-expand-loop\n// Generate series of `.navbar-expand-*` responsive classes for configuring\n// where your navbar collapses.\n.navbar-expand {\n  @each $breakpoint in map-keys($grid-breakpoints) {\n    $next: breakpoint-next($breakpoint, $grid-breakpoints);\n    $infix: breakpoint-infix($next, $grid-breakpoints);\n\n    // stylelint-disable-next-line scss/selector-no-union-class-name\n    &#{$infix} {\n      @include media-breakpoint-up($next) {\n        flex-wrap: nowrap;\n        justify-content: flex-start;\n\n        .navbar-nav {\n          flex-direction: row;\n\n          .dropdown-menu {\n            position: absolute;\n          }\n\n          .nav-link {\n            padding-right: var(--#{$prefix}navbar-nav-link-padding-x);\n            padding-left: var(--#{$prefix}navbar-nav-link-padding-x);\n          }\n        }\n\n        .navbar-nav-scroll {\n          overflow: visible;\n        }\n\n        .navbar-collapse {\n          display: flex !important; // stylelint-disable-line declaration-no-important\n          flex-basis: auto;\n        }\n\n        .navbar-toggler {\n          display: none;\n        }\n\n        .offcanvas {\n          // stylelint-disable declaration-no-important\n          position: static;\n          z-index: auto;\n          flex-grow: 1;\n          width: auto !important;\n          height: auto !important;\n          visibility: visible !important;\n          background-color: transparent !important;\n          border: 0 !important;\n          transform: none !important;\n          @include box-shadow(none);\n          @include transition(none);\n          // stylelint-enable declaration-no-important\n\n          .offcanvas-header {\n            display: none;\n          }\n\n          .offcanvas-body {\n            display: flex;\n            flex-grow: 0;\n            padding: 0;\n            overflow-y: visible;\n          }\n        }\n      }\n    }\n  }\n}\n// scss-docs-end navbar-expand-loop\n\n// Navbar themes\n//\n// Styles for switching between navbars with light or dark background.\n\n.navbar-light {\n  @include deprecate(\"`.navbar-light`\", \"v5.2.0\", \"v6.0.0\", true);\n}\n\n.navbar-dark,\n.navbar[data-bs-theme=\"dark\"] {\n  // scss-docs-start navbar-dark-css-vars\n  --#{$prefix}navbar-color: #{$navbar-dark-color};\n  --#{$prefix}navbar-hover-color: #{$navbar-dark-hover-color};\n  --#{$prefix}navbar-disabled-color: #{$navbar-dark-disabled-color};\n  --#{$prefix}navbar-active-color: #{$navbar-dark-active-color};\n  --#{$prefix}navbar-brand-color: #{$navbar-dark-brand-color};\n  --#{$prefix}navbar-brand-hover-color: #{$navbar-dark-brand-hover-color};\n  --#{$prefix}navbar-toggler-border-color: #{$navbar-dark-toggler-border-color};\n  --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-dark-toggler-icon-bg)};\n  // scss-docs-end navbar-dark-css-vars\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .navbar-toggler-icon {\n      --#{$prefix}navbar-toggler-icon-bg: #{escape-svg($navbar-dark-toggler-icon-bg)};\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.card {\n  // scss-docs-start card-css-vars\n  --#{$prefix}card-spacer-y: #{$card-spacer-y};\n  --#{$prefix}card-spacer-x: #{$card-spacer-x};\n  --#{$prefix}card-title-spacer-y: #{$card-title-spacer-y};\n  --#{$prefix}card-title-color: #{$card-title-color};\n  --#{$prefix}card-subtitle-color: #{$card-subtitle-color};\n  --#{$prefix}card-border-width: #{$card-border-width};\n  --#{$prefix}card-border-color: #{$card-border-color};\n  --#{$prefix}card-border-radius: #{$card-border-radius};\n  --#{$prefix}card-box-shadow: #{$card-box-shadow};\n  --#{$prefix}card-inner-border-radius: #{$card-inner-border-radius};\n  --#{$prefix}card-cap-padding-y: #{$card-cap-padding-y};\n  --#{$prefix}card-cap-padding-x: #{$card-cap-padding-x};\n  --#{$prefix}card-cap-bg: #{$card-cap-bg};\n  --#{$prefix}card-cap-color: #{$card-cap-color};\n  --#{$prefix}card-height: #{$card-height};\n  --#{$prefix}card-color: #{$card-color};\n  --#{$prefix}card-bg: #{$card-bg};\n  --#{$prefix}card-img-overlay-padding: #{$card-img-overlay-padding};\n  --#{$prefix}card-group-margin: #{$card-group-margin};\n  // scss-docs-end card-css-vars\n\n  position: relative;\n  display: flex;\n  flex-direction: column;\n  min-width: 0; // See https://github.com/twbs/bootstrap/pull/22740#issuecomment-305868106\n  height: var(--#{$prefix}card-height);\n  color: var(--#{$prefix}body-color);\n  word-wrap: break-word;\n  background-color: var(--#{$prefix}card-bg);\n  background-clip: border-box;\n  border: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n  @include border-radius(var(--#{$prefix}card-border-radius));\n  @include box-shadow(var(--#{$prefix}card-box-shadow));\n\n  > hr {\n    margin-right: 0;\n    margin-left: 0;\n  }\n\n  > .list-group {\n    border-top: inherit;\n    border-bottom: inherit;\n\n    &:first-child {\n      border-top-width: 0;\n      @include border-top-radius(var(--#{$prefix}card-inner-border-radius));\n    }\n\n    &:last-child  {\n      border-bottom-width: 0;\n      @include border-bottom-radius(var(--#{$prefix}card-inner-border-radius));\n    }\n  }\n\n  // Due to specificity of the above selector (`.card > .list-group`), we must\n  // use a child selector here to prevent double borders.\n  > .card-header + .list-group,\n  > .list-group + .card-footer {\n    border-top: 0;\n  }\n}\n\n.card-body {\n  // Enable `flex-grow: 1` for decks and groups so that card blocks take up\n  // as much space as possible, ensuring footers are aligned to the bottom.\n  flex: 1 1 auto;\n  padding: var(--#{$prefix}card-spacer-y) var(--#{$prefix}card-spacer-x);\n  color: var(--#{$prefix}card-color);\n}\n\n.card-title {\n  margin-bottom: var(--#{$prefix}card-title-spacer-y);\n  color: var(--#{$prefix}card-title-color);\n}\n\n.card-subtitle {\n  margin-top: calc(-.5 * var(--#{$prefix}card-title-spacer-y)); // stylelint-disable-line function-disallowed-list\n  margin-bottom: 0;\n  color: var(--#{$prefix}card-subtitle-color);\n}\n\n.card-text:last-child {\n  margin-bottom: 0;\n}\n\n.card-link {\n  &:hover {\n    text-decoration: if($link-hover-decoration == underline, none, null);\n  }\n\n  + .card-link {\n    margin-left: var(--#{$prefix}card-spacer-x);\n  }\n}\n\n//\n// Optional textual caps\n//\n\n.card-header {\n  padding: var(--#{$prefix}card-cap-padding-y) var(--#{$prefix}card-cap-padding-x);\n  margin-bottom: 0; // Removes the default margin-bottom of <hN>\n  color: var(--#{$prefix}card-cap-color);\n  background-color: var(--#{$prefix}card-cap-bg);\n  border-bottom: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n\n  &:first-child {\n    @include border-radius(var(--#{$prefix}card-inner-border-radius) var(--#{$prefix}card-inner-border-radius) 0 0);\n  }\n}\n\n.card-footer {\n  padding: var(--#{$prefix}card-cap-padding-y) var(--#{$prefix}card-cap-padding-x);\n  color: var(--#{$prefix}card-cap-color);\n  background-color: var(--#{$prefix}card-cap-bg);\n  border-top: var(--#{$prefix}card-border-width) solid var(--#{$prefix}card-border-color);\n\n  &:last-child {\n    @include border-radius(0 0 var(--#{$prefix}card-inner-border-radius) var(--#{$prefix}card-inner-border-radius));\n  }\n}\n\n\n//\n// Header navs\n//\n\n.card-header-tabs {\n  margin-right: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  margin-bottom: calc(-1 * var(--#{$prefix}card-cap-padding-y)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  border-bottom: 0;\n\n  .nav-link.active {\n    background-color: var(--#{$prefix}card-bg);\n    border-bottom-color: var(--#{$prefix}card-bg);\n  }\n}\n\n.card-header-pills {\n  margin-right: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}card-cap-padding-x)); // stylelint-disable-line function-disallowed-list\n}\n\n// Card image\n.card-img-overlay {\n  position: absolute;\n  top: 0;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  padding: var(--#{$prefix}card-img-overlay-padding);\n  @include border-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n.card-img,\n.card-img-top,\n.card-img-bottom {\n  width: 100%; // Required because we use flexbox and this inherently applies align-self: stretch\n}\n\n.card-img,\n.card-img-top {\n  @include border-top-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n.card-img,\n.card-img-bottom {\n  @include border-bottom-radius(var(--#{$prefix}card-inner-border-radius));\n}\n\n\n//\n// Card groups\n//\n\n.card-group {\n  // The child selector allows nested `.card` within `.card-group`\n  // to display properly.\n  > .card {\n    margin-bottom: var(--#{$prefix}card-group-margin);\n  }\n\n  @include media-breakpoint-up(sm) {\n    display: flex;\n    flex-flow: row wrap;\n    // The child selector allows nested `.card` within `.card-group`\n    // to display properly.\n    > .card {\n      // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      flex: 1 0 0%;\n      margin-bottom: 0;\n\n      + .card {\n        margin-left: 0;\n        border-left: 0;\n      }\n\n      // Handle rounded corners\n      @if $enable-rounded {\n        &:not(:last-child) {\n          @include border-end-radius(0);\n\n          .card-img-top,\n          .card-header {\n            // stylelint-disable-next-line property-disallowed-list\n            border-top-right-radius: 0;\n          }\n          .card-img-bottom,\n          .card-footer {\n            // stylelint-disable-next-line property-disallowed-list\n            border-bottom-right-radius: 0;\n          }\n        }\n\n        &:not(:first-child) {\n          @include border-start-radius(0);\n\n          .card-img-top,\n          .card-header {\n            // stylelint-disable-next-line property-disallowed-list\n            border-top-left-radius: 0;\n          }\n          .card-img-bottom,\n          .card-footer {\n            // stylelint-disable-next-line property-disallowed-list\n            border-bottom-left-radius: 0;\n          }\n        }\n      }\n    }\n  }\n}\n","//\n// Base styles\n//\n\n.accordion {\n  // scss-docs-start accordion-css-vars\n  --#{$prefix}accordion-color: #{$accordion-color};\n  --#{$prefix}accordion-bg: #{$accordion-bg};\n  --#{$prefix}accordion-transition: #{$accordion-transition};\n  --#{$prefix}accordion-border-color: #{$accordion-border-color};\n  --#{$prefix}accordion-border-width: #{$accordion-border-width};\n  --#{$prefix}accordion-border-radius: #{$accordion-border-radius};\n  --#{$prefix}accordion-inner-border-radius: #{$accordion-inner-border-radius};\n  --#{$prefix}accordion-btn-padding-x: #{$accordion-button-padding-x};\n  --#{$prefix}accordion-btn-padding-y: #{$accordion-button-padding-y};\n  --#{$prefix}accordion-btn-color: #{$accordion-button-color};\n  --#{$prefix}accordion-btn-bg: #{$accordion-button-bg};\n  --#{$prefix}accordion-btn-icon: #{escape-svg($accordion-button-icon)};\n  --#{$prefix}accordion-btn-icon-width: #{$accordion-icon-width};\n  --#{$prefix}accordion-btn-icon-transform: #{$accordion-icon-transform};\n  --#{$prefix}accordion-btn-icon-transition: #{$accordion-icon-transition};\n  --#{$prefix}accordion-btn-active-icon: #{escape-svg($accordion-button-active-icon)};\n  --#{$prefix}accordion-btn-focus-box-shadow: #{$accordion-button-focus-box-shadow};\n  --#{$prefix}accordion-body-padding-x: #{$accordion-body-padding-x};\n  --#{$prefix}accordion-body-padding-y: #{$accordion-body-padding-y};\n  --#{$prefix}accordion-active-color: #{$accordion-button-active-color};\n  --#{$prefix}accordion-active-bg: #{$accordion-button-active-bg};\n  // scss-docs-end accordion-css-vars\n}\n\n.accordion-button {\n  position: relative;\n  display: flex;\n  align-items: center;\n  width: 100%;\n  padding: var(--#{$prefix}accordion-btn-padding-y) var(--#{$prefix}accordion-btn-padding-x);\n  @include font-size($font-size-base);\n  color: var(--#{$prefix}accordion-btn-color);\n  text-align: left; // Reset button style\n  background-color: var(--#{$prefix}accordion-btn-bg);\n  border: 0;\n  @include border-radius(0);\n  overflow-anchor: none;\n  @include transition(var(--#{$prefix}accordion-transition));\n\n  &:not(.collapsed) {\n    color: var(--#{$prefix}accordion-active-color);\n    background-color: var(--#{$prefix}accordion-active-bg);\n    box-shadow: inset 0 calc(-1 * var(--#{$prefix}accordion-border-width)) 0 var(--#{$prefix}accordion-border-color); // stylelint-disable-line function-disallowed-list\n\n    &::after {\n      background-image: var(--#{$prefix}accordion-btn-active-icon);\n      transform: var(--#{$prefix}accordion-btn-icon-transform);\n    }\n  }\n\n  // Accordion icon\n  &::after {\n    flex-shrink: 0;\n    width: var(--#{$prefix}accordion-btn-icon-width);\n    height: var(--#{$prefix}accordion-btn-icon-width);\n    margin-left: auto;\n    content: \"\";\n    background-image: var(--#{$prefix}accordion-btn-icon);\n    background-repeat: no-repeat;\n    background-size: var(--#{$prefix}accordion-btn-icon-width);\n    @include transition(var(--#{$prefix}accordion-btn-icon-transition));\n  }\n\n  &:hover {\n    z-index: 2;\n  }\n\n  &:focus {\n    z-index: 3;\n    outline: 0;\n    box-shadow: var(--#{$prefix}accordion-btn-focus-box-shadow);\n  }\n}\n\n.accordion-header {\n  margin-bottom: 0;\n}\n\n.accordion-item {\n  color: var(--#{$prefix}accordion-color);\n  background-color: var(--#{$prefix}accordion-bg);\n  border: var(--#{$prefix}accordion-border-width) solid var(--#{$prefix}accordion-border-color);\n\n  &:first-of-type {\n    @include border-top-radius(var(--#{$prefix}accordion-border-radius));\n\n    > .accordion-header .accordion-button {\n      @include border-top-radius(var(--#{$prefix}accordion-inner-border-radius));\n    }\n  }\n\n  &:not(:first-of-type) {\n    border-top: 0;\n  }\n\n  // Only set a border-radius on the last item if the accordion is collapsed\n  &:last-of-type {\n    @include border-bottom-radius(var(--#{$prefix}accordion-border-radius));\n\n    > .accordion-header .accordion-button {\n      &.collapsed {\n        @include border-bottom-radius(var(--#{$prefix}accordion-inner-border-radius));\n      }\n    }\n\n    > .accordion-collapse {\n      @include border-bottom-radius(var(--#{$prefix}accordion-border-radius));\n    }\n  }\n}\n\n.accordion-body {\n  padding: var(--#{$prefix}accordion-body-padding-y) var(--#{$prefix}accordion-body-padding-x);\n}\n\n\n// Flush accordion items\n//\n// Remove borders and border-radius to keep accordion items edge-to-edge.\n\n.accordion-flush {\n  > .accordion-item {\n    border-right: 0;\n    border-left: 0;\n    @include border-radius(0);\n\n    &:first-child { border-top: 0; }\n    &:last-child { border-bottom: 0; }\n\n    // stylelint-disable selector-max-class\n    > .accordion-header .accordion-button {\n      &,\n      &.collapsed {\n        @include border-radius(0);\n      }\n    }\n    // stylelint-enable selector-max-class\n\n    > .accordion-collapse {\n      @include border-radius(0);\n    }\n  }\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .accordion-button::after {\n      --#{$prefix}accordion-btn-icon: #{escape-svg($accordion-button-icon-dark)};\n      --#{$prefix}accordion-btn-active-icon: #{escape-svg($accordion-button-active-icon-dark)};\n    }\n  }\n}\n",".breadcrumb {\n  // scss-docs-start breadcrumb-css-vars\n  --#{$prefix}breadcrumb-padding-x: #{$breadcrumb-padding-x};\n  --#{$prefix}breadcrumb-padding-y: #{$breadcrumb-padding-y};\n  --#{$prefix}breadcrumb-margin-bottom: #{$breadcrumb-margin-bottom};\n  @include rfs($breadcrumb-font-size, --#{$prefix}breadcrumb-font-size);\n  --#{$prefix}breadcrumb-bg: #{$breadcrumb-bg};\n  --#{$prefix}breadcrumb-border-radius: #{$breadcrumb-border-radius};\n  --#{$prefix}breadcrumb-divider-color: #{$breadcrumb-divider-color};\n  --#{$prefix}breadcrumb-item-padding-x: #{$breadcrumb-item-padding-x};\n  --#{$prefix}breadcrumb-item-active-color: #{$breadcrumb-active-color};\n  // scss-docs-end breadcrumb-css-vars\n\n  display: flex;\n  flex-wrap: wrap;\n  padding: var(--#{$prefix}breadcrumb-padding-y) var(--#{$prefix}breadcrumb-padding-x);\n  margin-bottom: var(--#{$prefix}breadcrumb-margin-bottom);\n  @include font-size(var(--#{$prefix}breadcrumb-font-size));\n  list-style: none;\n  background-color: var(--#{$prefix}breadcrumb-bg);\n  @include border-radius(var(--#{$prefix}breadcrumb-border-radius));\n}\n\n.breadcrumb-item {\n  // The separator between breadcrumbs (by default, a forward-slash: \"/\")\n  + .breadcrumb-item {\n    padding-left: var(--#{$prefix}breadcrumb-item-padding-x);\n\n    &::before {\n      float: left; // Suppress inline spacings and underlining of the separator\n      padding-right: var(--#{$prefix}breadcrumb-item-padding-x);\n      color: var(--#{$prefix}breadcrumb-divider-color);\n      content: var(--#{$prefix}breadcrumb-divider, escape-svg($breadcrumb-divider)) #{\"/* rtl:\"} var(--#{$prefix}breadcrumb-divider, escape-svg($breadcrumb-divider-flipped)) #{\"*/\"};\n    }\n  }\n\n  &.active {\n    color: var(--#{$prefix}breadcrumb-item-active-color);\n  }\n}\n",".pagination {\n  // scss-docs-start pagination-css-vars\n  --#{$prefix}pagination-padding-x: #{$pagination-padding-x};\n  --#{$prefix}pagination-padding-y: #{$pagination-padding-y};\n  @include rfs($pagination-font-size, --#{$prefix}pagination-font-size);\n  --#{$prefix}pagination-color: #{$pagination-color};\n  --#{$prefix}pagination-bg: #{$pagination-bg};\n  --#{$prefix}pagination-border-width: #{$pagination-border-width};\n  --#{$prefix}pagination-border-color: #{$pagination-border-color};\n  --#{$prefix}pagination-border-radius: #{$pagination-border-radius};\n  --#{$prefix}pagination-hover-color: #{$pagination-hover-color};\n  --#{$prefix}pagination-hover-bg: #{$pagination-hover-bg};\n  --#{$prefix}pagination-hover-border-color: #{$pagination-hover-border-color};\n  --#{$prefix}pagination-focus-color: #{$pagination-focus-color};\n  --#{$prefix}pagination-focus-bg: #{$pagination-focus-bg};\n  --#{$prefix}pagination-focus-box-shadow: #{$pagination-focus-box-shadow};\n  --#{$prefix}pagination-active-color: #{$pagination-active-color};\n  --#{$prefix}pagination-active-bg: #{$pagination-active-bg};\n  --#{$prefix}pagination-active-border-color: #{$pagination-active-border-color};\n  --#{$prefix}pagination-disabled-color: #{$pagination-disabled-color};\n  --#{$prefix}pagination-disabled-bg: #{$pagination-disabled-bg};\n  --#{$prefix}pagination-disabled-border-color: #{$pagination-disabled-border-color};\n  // scss-docs-end pagination-css-vars\n\n  display: flex;\n  @include list-unstyled();\n}\n\n.page-link {\n  position: relative;\n  display: block;\n  padding: var(--#{$prefix}pagination-padding-y) var(--#{$prefix}pagination-padding-x);\n  @include font-size(var(--#{$prefix}pagination-font-size));\n  color: var(--#{$prefix}pagination-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background-color: var(--#{$prefix}pagination-bg);\n  border: var(--#{$prefix}pagination-border-width) solid var(--#{$prefix}pagination-border-color);\n  @include transition($pagination-transition);\n\n  &:hover {\n    z-index: 2;\n    color: var(--#{$prefix}pagination-hover-color);\n    text-decoration: if($link-hover-decoration == underline, none, null);\n    background-color: var(--#{$prefix}pagination-hover-bg);\n    border-color: var(--#{$prefix}pagination-hover-border-color);\n  }\n\n  &:focus {\n    z-index: 3;\n    color: var(--#{$prefix}pagination-focus-color);\n    background-color: var(--#{$prefix}pagination-focus-bg);\n    outline: $pagination-focus-outline;\n    box-shadow: var(--#{$prefix}pagination-focus-box-shadow);\n  }\n\n  &.active,\n  .active > & {\n    z-index: 3;\n    color: var(--#{$prefix}pagination-active-color);\n    @include gradient-bg(var(--#{$prefix}pagination-active-bg));\n    border-color: var(--#{$prefix}pagination-active-border-color);\n  }\n\n  &.disabled,\n  .disabled > & {\n    color: var(--#{$prefix}pagination-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}pagination-disabled-bg);\n    border-color: var(--#{$prefix}pagination-disabled-border-color);\n  }\n}\n\n.page-item {\n  &:not(:first-child) .page-link {\n    margin-left: $pagination-margin-start;\n  }\n\n  @if $pagination-margin-start == calc(#{$pagination-border-width} * -1) {\n    &:first-child {\n      .page-link {\n        @include border-start-radius(var(--#{$prefix}pagination-border-radius));\n      }\n    }\n\n    &:last-child {\n      .page-link {\n        @include border-end-radius(var(--#{$prefix}pagination-border-radius));\n      }\n    }\n  } @else {\n    // Add border-radius to all pageLinks in case they have left margin\n    .page-link {\n      @include border-radius(var(--#{$prefix}pagination-border-radius));\n    }\n  }\n}\n\n\n//\n// Sizing\n//\n\n.pagination-lg {\n  @include pagination-size($pagination-padding-y-lg, $pagination-padding-x-lg, $font-size-lg, $pagination-border-radius-lg);\n}\n\n.pagination-sm {\n  @include pagination-size($pagination-padding-y-sm, $pagination-padding-x-sm, $font-size-sm, $pagination-border-radius-sm);\n}\n","// Pagination\n\n// scss-docs-start pagination-mixin\n@mixin pagination-size($padding-y, $padding-x, $font-size, $border-radius) {\n  --#{$prefix}pagination-padding-x: #{$padding-x};\n  --#{$prefix}pagination-padding-y: #{$padding-y};\n  @include rfs($font-size, --#{$prefix}pagination-font-size);\n  --#{$prefix}pagination-border-radius: #{$border-radius};\n}\n// scss-docs-end pagination-mixin\n","// Base class\n//\n// Requires one of the contextual, color modifier classes for `color` and\n// `background-color`.\n\n.badge {\n  // scss-docs-start badge-css-vars\n  --#{$prefix}badge-padding-x: #{$badge-padding-x};\n  --#{$prefix}badge-padding-y: #{$badge-padding-y};\n  @include rfs($badge-font-size, --#{$prefix}badge-font-size);\n  --#{$prefix}badge-font-weight: #{$badge-font-weight};\n  --#{$prefix}badge-color: #{$badge-color};\n  --#{$prefix}badge-border-radius: #{$badge-border-radius};\n  // scss-docs-end badge-css-vars\n\n  display: inline-block;\n  padding: var(--#{$prefix}badge-padding-y) var(--#{$prefix}badge-padding-x);\n  @include font-size(var(--#{$prefix}badge-font-size));\n  font-weight: var(--#{$prefix}badge-font-weight);\n  line-height: 1;\n  color: var(--#{$prefix}badge-color);\n  text-align: center;\n  white-space: nowrap;\n  vertical-align: baseline;\n  @include border-radius(var(--#{$prefix}badge-border-radius));\n  @include gradient-bg();\n\n  // Empty badges collapse automatically\n  &:empty {\n    display: none;\n  }\n}\n\n// Quick fix for badges in buttons\n.btn .badge {\n  position: relative;\n  top: -1px;\n}\n","//\n// Base styles\n//\n\n.alert {\n  // scss-docs-start alert-css-vars\n  --#{$prefix}alert-bg: transparent;\n  --#{$prefix}alert-padding-x: #{$alert-padding-x};\n  --#{$prefix}alert-padding-y: #{$alert-padding-y};\n  --#{$prefix}alert-margin-bottom: #{$alert-margin-bottom};\n  --#{$prefix}alert-color: inherit;\n  --#{$prefix}alert-border-color: transparent;\n  --#{$prefix}alert-border: #{$alert-border-width} solid var(--#{$prefix}alert-border-color);\n  --#{$prefix}alert-border-radius: #{$alert-border-radius};\n  --#{$prefix}alert-link-color: inherit;\n  // scss-docs-end alert-css-vars\n\n  position: relative;\n  padding: var(--#{$prefix}alert-padding-y) var(--#{$prefix}alert-padding-x);\n  margin-bottom: var(--#{$prefix}alert-margin-bottom);\n  color: var(--#{$prefix}alert-color);\n  background-color: var(--#{$prefix}alert-bg);\n  border: var(--#{$prefix}alert-border);\n  @include border-radius(var(--#{$prefix}alert-border-radius));\n}\n\n// Headings for larger alerts\n.alert-heading {\n  // Specified to prevent conflicts of changing $headings-color\n  color: inherit;\n}\n\n// Provide class for links that match alerts\n.alert-link {\n  font-weight: $alert-link-font-weight;\n  color: var(--#{$prefix}alert-link-color);\n}\n\n\n// Dismissible alerts\n//\n// Expand the right padding and account for the close button's positioning.\n\n.alert-dismissible {\n  padding-right: $alert-dismissible-padding-r;\n\n  // Adjust close link position\n  .btn-close {\n    position: absolute;\n    top: 0;\n    right: 0;\n    z-index: $stretched-link-z-index + 1;\n    padding: $alert-padding-y * 1.25 $alert-padding-x;\n  }\n}\n\n\n// scss-docs-start alert-modifiers\n// Generate contextual modifier classes for colorizing the alert\n@each $state in map-keys($theme-colors) {\n  .alert-#{$state} {\n    --#{$prefix}alert-color: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}alert-bg: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}alert-border-color: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}alert-link-color: var(--#{$prefix}#{$state}-text-emphasis);\n  }\n}\n// scss-docs-end alert-modifiers\n","// Disable animation if transitions are disabled\n\n// scss-docs-start progress-keyframes\n@if $enable-transitions {\n  @keyframes progress-bar-stripes {\n    0% { background-position-x: $progress-height; }\n  }\n}\n// scss-docs-end progress-keyframes\n\n.progress,\n.progress-stacked {\n  // scss-docs-start progress-css-vars\n  --#{$prefix}progress-height: #{$progress-height};\n  @include rfs($progress-font-size, --#{$prefix}progress-font-size);\n  --#{$prefix}progress-bg: #{$progress-bg};\n  --#{$prefix}progress-border-radius: #{$progress-border-radius};\n  --#{$prefix}progress-box-shadow: #{$progress-box-shadow};\n  --#{$prefix}progress-bar-color: #{$progress-bar-color};\n  --#{$prefix}progress-bar-bg: #{$progress-bar-bg};\n  --#{$prefix}progress-bar-transition: #{$progress-bar-transition};\n  // scss-docs-end progress-css-vars\n\n  display: flex;\n  height: var(--#{$prefix}progress-height);\n  overflow: hidden; // force rounded corners by cropping it\n  @include font-size(var(--#{$prefix}progress-font-size));\n  background-color: var(--#{$prefix}progress-bg);\n  @include border-radius(var(--#{$prefix}progress-border-radius));\n  @include box-shadow(var(--#{$prefix}progress-box-shadow));\n}\n\n.progress-bar {\n  display: flex;\n  flex-direction: column;\n  justify-content: center;\n  overflow: hidden;\n  color: var(--#{$prefix}progress-bar-color);\n  text-align: center;\n  white-space: nowrap;\n  background-color: var(--#{$prefix}progress-bar-bg);\n  @include transition(var(--#{$prefix}progress-bar-transition));\n}\n\n.progress-bar-striped {\n  @include gradient-striped();\n  background-size: var(--#{$prefix}progress-height) var(--#{$prefix}progress-height);\n}\n\n.progress-stacked > .progress {\n  overflow: visible;\n}\n\n.progress-stacked > .progress > .progress-bar {\n  width: 100%;\n}\n\n@if $enable-transitions {\n  .progress-bar-animated {\n    animation: $progress-bar-animation-timing progress-bar-stripes;\n\n    @if $enable-reduced-motion {\n      @media (prefers-reduced-motion: reduce) {\n        animation: none;\n      }\n    }\n  }\n}\n","// Base class\n//\n// Easily usable on <ul>, <ol>, or <div>.\n\n.list-group {\n  // scss-docs-start list-group-css-vars\n  --#{$prefix}list-group-color: #{$list-group-color};\n  --#{$prefix}list-group-bg: #{$list-group-bg};\n  --#{$prefix}list-group-border-color: #{$list-group-border-color};\n  --#{$prefix}list-group-border-width: #{$list-group-border-width};\n  --#{$prefix}list-group-border-radius: #{$list-group-border-radius};\n  --#{$prefix}list-group-item-padding-x: #{$list-group-item-padding-x};\n  --#{$prefix}list-group-item-padding-y: #{$list-group-item-padding-y};\n  --#{$prefix}list-group-action-color: #{$list-group-action-color};\n  --#{$prefix}list-group-action-hover-color: #{$list-group-action-hover-color};\n  --#{$prefix}list-group-action-hover-bg: #{$list-group-hover-bg};\n  --#{$prefix}list-group-action-active-color: #{$list-group-action-active-color};\n  --#{$prefix}list-group-action-active-bg: #{$list-group-action-active-bg};\n  --#{$prefix}list-group-disabled-color: #{$list-group-disabled-color};\n  --#{$prefix}list-group-disabled-bg: #{$list-group-disabled-bg};\n  --#{$prefix}list-group-active-color: #{$list-group-active-color};\n  --#{$prefix}list-group-active-bg: #{$list-group-active-bg};\n  --#{$prefix}list-group-active-border-color: #{$list-group-active-border-color};\n  // scss-docs-end list-group-css-vars\n\n  display: flex;\n  flex-direction: column;\n\n  // No need to set list-style: none; since .list-group-item is block level\n  padding-left: 0; // reset padding because ul and ol\n  margin-bottom: 0;\n  @include border-radius(var(--#{$prefix}list-group-border-radius));\n}\n\n.list-group-numbered {\n  list-style-type: none;\n  counter-reset: section;\n\n  > .list-group-item::before {\n    // Increments only this instance of the section counter\n    content: counters(section, \".\") \". \";\n    counter-increment: section;\n  }\n}\n\n// Interactive list items\n//\n// Use anchor or button elements instead of `li`s or `div`s to create interactive\n// list items. Includes an extra `.active` modifier class for selected items.\n\n.list-group-item-action {\n  width: 100%; // For `<button>`s (anchors become 100% by default though)\n  color: var(--#{$prefix}list-group-action-color);\n  text-align: inherit; // For `<button>`s (anchors inherit)\n\n  // Hover state\n  &:hover,\n  &:focus {\n    z-index: 1; // Place hover/focus items above their siblings for proper border styling\n    color: var(--#{$prefix}list-group-action-hover-color);\n    text-decoration: none;\n    background-color: var(--#{$prefix}list-group-action-hover-bg);\n  }\n\n  &:active {\n    color: var(--#{$prefix}list-group-action-active-color);\n    background-color: var(--#{$prefix}list-group-action-active-bg);\n  }\n}\n\n// Individual list items\n//\n// Use on `li`s or `div`s within the `.list-group` parent.\n\n.list-group-item {\n  position: relative;\n  display: block;\n  padding: var(--#{$prefix}list-group-item-padding-y) var(--#{$prefix}list-group-item-padding-x);\n  color: var(--#{$prefix}list-group-color);\n  text-decoration: if($link-decoration == none, null, none);\n  background-color: var(--#{$prefix}list-group-bg);\n  border: var(--#{$prefix}list-group-border-width) solid var(--#{$prefix}list-group-border-color);\n\n  &:first-child {\n    @include border-top-radius(inherit);\n  }\n\n  &:last-child {\n    @include border-bottom-radius(inherit);\n  }\n\n  &.disabled,\n  &:disabled {\n    color: var(--#{$prefix}list-group-disabled-color);\n    pointer-events: none;\n    background-color: var(--#{$prefix}list-group-disabled-bg);\n  }\n\n  // Include both here for `<a>`s and `<button>`s\n  &.active {\n    z-index: 2; // Place active items above their siblings for proper border styling\n    color: var(--#{$prefix}list-group-active-color);\n    background-color: var(--#{$prefix}list-group-active-bg);\n    border-color: var(--#{$prefix}list-group-active-border-color);\n  }\n\n  // stylelint-disable-next-line scss/selector-no-redundant-nesting-selector\n  & + .list-group-item {\n    border-top-width: 0;\n\n    &.active {\n      margin-top: calc(-1 * var(--#{$prefix}list-group-border-width)); // stylelint-disable-line function-disallowed-list\n      border-top-width: var(--#{$prefix}list-group-border-width);\n    }\n  }\n}\n\n// Horizontal\n//\n// Change the layout of list group items from vertical (default) to horizontal.\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .list-group-horizontal#{$infix} {\n      flex-direction: row;\n\n      > .list-group-item {\n        &:first-child:not(:last-child) {\n          @include border-bottom-start-radius(var(--#{$prefix}list-group-border-radius));\n          @include border-top-end-radius(0);\n        }\n\n        &:last-child:not(:first-child) {\n          @include border-top-end-radius(var(--#{$prefix}list-group-border-radius));\n          @include border-bottom-start-radius(0);\n        }\n\n        &.active {\n          margin-top: 0;\n        }\n\n        + .list-group-item {\n          border-top-width: var(--#{$prefix}list-group-border-width);\n          border-left-width: 0;\n\n          &.active {\n            margin-left: calc(-1 * var(--#{$prefix}list-group-border-width)); // stylelint-disable-line function-disallowed-list\n            border-left-width: var(--#{$prefix}list-group-border-width);\n          }\n        }\n      }\n    }\n  }\n}\n\n\n// Flush list items\n//\n// Remove borders and border-radius to keep list group items edge-to-edge. Most\n// useful within other components (e.g., cards).\n\n.list-group-flush {\n  @include border-radius(0);\n\n  > .list-group-item {\n    border-width: 0 0 var(--#{$prefix}list-group-border-width);\n\n    &:last-child {\n      border-bottom-width: 0;\n    }\n  }\n}\n\n\n// scss-docs-start list-group-modifiers\n// List group contextual variants\n//\n// Add modifier classes to change text and background color on individual items.\n// Organizationally, this must come after the `:hover` states.\n\n@each $state in map-keys($theme-colors) {\n  .list-group-item-#{$state} {\n    --#{$prefix}list-group-color: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}list-group-bg: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}list-group-border-color: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-action-hover-color: var(--#{$prefix}emphasis-color);\n    --#{$prefix}list-group-action-hover-bg: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-action-active-color: var(--#{$prefix}emphasis-color);\n    --#{$prefix}list-group-action-active-bg: var(--#{$prefix}#{$state}-border-subtle);\n    --#{$prefix}list-group-active-color: var(--#{$prefix}#{$state}-bg-subtle);\n    --#{$prefix}list-group-active-bg: var(--#{$prefix}#{$state}-text-emphasis);\n    --#{$prefix}list-group-active-border-color: var(--#{$prefix}#{$state}-text-emphasis);\n  }\n}\n// scss-docs-end list-group-modifiers\n","// Transparent background and border properties included for button version.\n// iOS requires the button element instead of an anchor tag.\n// If you want the anchor version, it requires `href=\"#\"`.\n// See https://developer.mozilla.org/en-US/docs/Web/Events/click#Safari_Mobile\n\n.btn-close {\n  // scss-docs-start close-css-vars\n  --#{$prefix}btn-close-color: #{$btn-close-color};\n  --#{$prefix}btn-close-bg: #{ escape-svg($btn-close-bg) };\n  --#{$prefix}btn-close-opacity: #{$btn-close-opacity};\n  --#{$prefix}btn-close-hover-opacity: #{$btn-close-hover-opacity};\n  --#{$prefix}btn-close-focus-shadow: #{$btn-close-focus-shadow};\n  --#{$prefix}btn-close-focus-opacity: #{$btn-close-focus-opacity};\n  --#{$prefix}btn-close-disabled-opacity: #{$btn-close-disabled-opacity};\n  --#{$prefix}btn-close-white-filter: #{$btn-close-white-filter};\n  // scss-docs-end close-css-vars\n\n  box-sizing: content-box;\n  width: $btn-close-width;\n  height: $btn-close-height;\n  padding: $btn-close-padding-y $btn-close-padding-x;\n  color: var(--#{$prefix}btn-close-color);\n  background: transparent var(--#{$prefix}btn-close-bg) center / $btn-close-width auto no-repeat; // include transparent for button elements\n  border: 0; // for button elements\n  @include border-radius();\n  opacity: var(--#{$prefix}btn-close-opacity);\n\n  // Override <a>'s hover style\n  &:hover {\n    color: var(--#{$prefix}btn-close-color);\n    text-decoration: none;\n    opacity: var(--#{$prefix}btn-close-hover-opacity);\n  }\n\n  &:focus {\n    outline: 0;\n    box-shadow: var(--#{$prefix}btn-close-focus-shadow);\n    opacity: var(--#{$prefix}btn-close-focus-opacity);\n  }\n\n  &:disabled,\n  &.disabled {\n    pointer-events: none;\n    user-select: none;\n    opacity: var(--#{$prefix}btn-close-disabled-opacity);\n  }\n}\n\n@mixin btn-close-white() {\n  filter: var(--#{$prefix}btn-close-white-filter);\n}\n\n.btn-close-white {\n  @include btn-close-white();\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    .btn-close {\n      @include btn-close-white();\n    }\n  }\n}\n",".toast {\n  // scss-docs-start toast-css-vars\n  --#{$prefix}toast-zindex: #{$zindex-toast};\n  --#{$prefix}toast-padding-x: #{$toast-padding-x};\n  --#{$prefix}toast-padding-y: #{$toast-padding-y};\n  --#{$prefix}toast-spacing: #{$toast-spacing};\n  --#{$prefix}toast-max-width: #{$toast-max-width};\n  @include rfs($toast-font-size, --#{$prefix}toast-font-size);\n  --#{$prefix}toast-color: #{$toast-color};\n  --#{$prefix}toast-bg: #{$toast-background-color};\n  --#{$prefix}toast-border-width: #{$toast-border-width};\n  --#{$prefix}toast-border-color: #{$toast-border-color};\n  --#{$prefix}toast-border-radius: #{$toast-border-radius};\n  --#{$prefix}toast-box-shadow: #{$toast-box-shadow};\n  --#{$prefix}toast-header-color: #{$toast-header-color};\n  --#{$prefix}toast-header-bg: #{$toast-header-background-color};\n  --#{$prefix}toast-header-border-color: #{$toast-header-border-color};\n  // scss-docs-end toast-css-vars\n\n  width: var(--#{$prefix}toast-max-width);\n  max-width: 100%;\n  @include font-size(var(--#{$prefix}toast-font-size));\n  color: var(--#{$prefix}toast-color);\n  pointer-events: auto;\n  background-color: var(--#{$prefix}toast-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}toast-border-width) solid var(--#{$prefix}toast-border-color);\n  box-shadow: var(--#{$prefix}toast-box-shadow);\n  @include border-radius(var(--#{$prefix}toast-border-radius));\n\n  &.showing {\n    opacity: 0;\n  }\n\n  &:not(.show) {\n    display: none;\n  }\n}\n\n.toast-container {\n  --#{$prefix}toast-zindex: #{$zindex-toast};\n\n  position: absolute;\n  z-index: var(--#{$prefix}toast-zindex);\n  width: max-content;\n  max-width: 100%;\n  pointer-events: none;\n\n  > :not(:last-child) {\n    margin-bottom: var(--#{$prefix}toast-spacing);\n  }\n}\n\n.toast-header {\n  display: flex;\n  align-items: center;\n  padding: var(--#{$prefix}toast-padding-y) var(--#{$prefix}toast-padding-x);\n  color: var(--#{$prefix}toast-header-color);\n  background-color: var(--#{$prefix}toast-header-bg);\n  background-clip: padding-box;\n  border-bottom: var(--#{$prefix}toast-border-width) solid var(--#{$prefix}toast-header-border-color);\n  @include border-top-radius(calc(var(--#{$prefix}toast-border-radius) - var(--#{$prefix}toast-border-width)));\n\n  .btn-close {\n    margin-right: calc(-.5 * var(--#{$prefix}toast-padding-x)); // stylelint-disable-line function-disallowed-list\n    margin-left: var(--#{$prefix}toast-padding-x);\n  }\n}\n\n.toast-body {\n  padding: var(--#{$prefix}toast-padding-x);\n  word-wrap: break-word;\n}\n","// stylelint-disable function-disallowed-list\n\n// .modal-open      - body class for killing the scroll\n// .modal           - container to scroll within\n// .modal-dialog    - positioning shell for the actual modal\n// .modal-content   - actual modal w/ bg and corners and stuff\n\n\n// Container that the modal scrolls within\n.modal {\n  // scss-docs-start modal-css-vars\n  --#{$prefix}modal-zindex: #{$zindex-modal};\n  --#{$prefix}modal-width: #{$modal-md};\n  --#{$prefix}modal-padding: #{$modal-inner-padding};\n  --#{$prefix}modal-margin: #{$modal-dialog-margin};\n  --#{$prefix}modal-color: #{$modal-content-color};\n  --#{$prefix}modal-bg: #{$modal-content-bg};\n  --#{$prefix}modal-border-color: #{$modal-content-border-color};\n  --#{$prefix}modal-border-width: #{$modal-content-border-width};\n  --#{$prefix}modal-border-radius: #{$modal-content-border-radius};\n  --#{$prefix}modal-box-shadow: #{$modal-content-box-shadow-xs};\n  --#{$prefix}modal-inner-border-radius: #{$modal-content-inner-border-radius};\n  --#{$prefix}modal-header-padding-x: #{$modal-header-padding-x};\n  --#{$prefix}modal-header-padding-y: #{$modal-header-padding-y};\n  --#{$prefix}modal-header-padding: #{$modal-header-padding}; // Todo in v6: Split this padding into x and y\n  --#{$prefix}modal-header-border-color: #{$modal-header-border-color};\n  --#{$prefix}modal-header-border-width: #{$modal-header-border-width};\n  --#{$prefix}modal-title-line-height: #{$modal-title-line-height};\n  --#{$prefix}modal-footer-gap: #{$modal-footer-margin-between};\n  --#{$prefix}modal-footer-bg: #{$modal-footer-bg};\n  --#{$prefix}modal-footer-border-color: #{$modal-footer-border-color};\n  --#{$prefix}modal-footer-border-width: #{$modal-footer-border-width};\n  // scss-docs-end modal-css-vars\n\n  position: fixed;\n  top: 0;\n  left: 0;\n  z-index: var(--#{$prefix}modal-zindex);\n  display: none;\n  width: 100%;\n  height: 100%;\n  overflow-x: hidden;\n  overflow-y: auto;\n  // Prevent Chrome on Windows from adding a focus outline. For details, see\n  // https://github.com/twbs/bootstrap/pull/10951.\n  outline: 0;\n  // We deliberately don't use `-webkit-overflow-scrolling: touch;` due to a\n  // gnarly iOS Safari bug: https://bugs.webkit.org/show_bug.cgi?id=158342\n  // See also https://github.com/twbs/bootstrap/issues/17695\n}\n\n// Shell div to position the modal with bottom padding\n.modal-dialog {\n  position: relative;\n  width: auto;\n  margin: var(--#{$prefix}modal-margin);\n  // allow clicks to pass through for custom click handling to close modal\n  pointer-events: none;\n\n  // When fading in the modal, animate it to slide down\n  .modal.fade & {\n    @include transition($modal-transition);\n    transform: $modal-fade-transform;\n  }\n  .modal.show & {\n    transform: $modal-show-transform;\n  }\n\n  // When trying to close, animate focus to scale\n  .modal.modal-static & {\n    transform: $modal-scale-transform;\n  }\n}\n\n.modal-dialog-scrollable {\n  height: calc(100% - var(--#{$prefix}modal-margin) * 2);\n\n  .modal-content {\n    max-height: 100%;\n    overflow: hidden;\n  }\n\n  .modal-body {\n    overflow-y: auto;\n  }\n}\n\n.modal-dialog-centered {\n  display: flex;\n  align-items: center;\n  min-height: calc(100% - var(--#{$prefix}modal-margin) * 2);\n}\n\n// Actual modal\n.modal-content {\n  position: relative;\n  display: flex;\n  flex-direction: column;\n  width: 100%; // Ensure `.modal-content` extends the full width of the parent `.modal-dialog`\n  // counteract the pointer-events: none; in the .modal-dialog\n  color: var(--#{$prefix}modal-color);\n  pointer-events: auto;\n  background-color: var(--#{$prefix}modal-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}modal-border-width) solid var(--#{$prefix}modal-border-color);\n  @include border-radius(var(--#{$prefix}modal-border-radius));\n  @include box-shadow(var(--#{$prefix}modal-box-shadow));\n  // Remove focus outline from opened modal\n  outline: 0;\n}\n\n// Modal background\n.modal-backdrop {\n  // scss-docs-start modal-backdrop-css-vars\n  --#{$prefix}backdrop-zindex: #{$zindex-modal-backdrop};\n  --#{$prefix}backdrop-bg: #{$modal-backdrop-bg};\n  --#{$prefix}backdrop-opacity: #{$modal-backdrop-opacity};\n  // scss-docs-end modal-backdrop-css-vars\n\n  @include overlay-backdrop(var(--#{$prefix}backdrop-zindex), var(--#{$prefix}backdrop-bg), var(--#{$prefix}backdrop-opacity));\n}\n\n// Modal header\n// Top section of the modal w/ title and dismiss\n.modal-header {\n  display: flex;\n  flex-shrink: 0;\n  align-items: center;\n  padding: var(--#{$prefix}modal-header-padding);\n  border-bottom: var(--#{$prefix}modal-header-border-width) solid var(--#{$prefix}modal-header-border-color);\n  @include border-top-radius(var(--#{$prefix}modal-inner-border-radius));\n\n  .btn-close {\n    padding: calc(var(--#{$prefix}modal-header-padding-y) * .5) calc(var(--#{$prefix}modal-header-padding-x) * .5);\n    margin: calc(-.5 * var(--#{$prefix}modal-header-padding-y)) calc(-.5 * var(--#{$prefix}modal-header-padding-x)) calc(-.5 * var(--#{$prefix}modal-header-padding-y)) auto;\n  }\n}\n\n// Title text within header\n.modal-title {\n  margin-bottom: 0;\n  line-height: var(--#{$prefix}modal-title-line-height);\n}\n\n// Modal body\n// Where all modal content resides (sibling of .modal-header and .modal-footer)\n.modal-body {\n  position: relative;\n  // Enable `flex-grow: 1` so that the body take up as much space as possible\n  // when there should be a fixed height on `.modal-dialog`.\n  flex: 1 1 auto;\n  padding: var(--#{$prefix}modal-padding);\n}\n\n// Footer (for actions)\n.modal-footer {\n  display: flex;\n  flex-shrink: 0;\n  flex-wrap: wrap;\n  align-items: center; // vertically center\n  justify-content: flex-end; // Right align buttons with flex property because text-align doesn't work on flex items\n  padding: calc(var(--#{$prefix}modal-padding) - var(--#{$prefix}modal-footer-gap) * .5);\n  background-color: var(--#{$prefix}modal-footer-bg);\n  border-top: var(--#{$prefix}modal-footer-border-width) solid var(--#{$prefix}modal-footer-border-color);\n  @include border-bottom-radius(var(--#{$prefix}modal-inner-border-radius));\n\n  // Place margin between footer elements\n  // This solution is far from ideal because of the universal selector usage,\n  // but is needed to fix https://github.com/twbs/bootstrap/issues/24800\n  > * {\n    margin: calc(var(--#{$prefix}modal-footer-gap) * .5); // Todo in v6: replace with gap on parent class\n  }\n}\n\n// Scale up the modal\n@include media-breakpoint-up(sm) {\n  .modal {\n    --#{$prefix}modal-margin: #{$modal-dialog-margin-y-sm-up};\n    --#{$prefix}modal-box-shadow: #{$modal-content-box-shadow-sm-up};\n  }\n\n  // Automatically set modal's width for larger viewports\n  .modal-dialog {\n    max-width: var(--#{$prefix}modal-width);\n    margin-right: auto;\n    margin-left: auto;\n  }\n\n  .modal-sm {\n    --#{$prefix}modal-width: #{$modal-sm};\n  }\n}\n\n@include media-breakpoint-up(lg) {\n  .modal-lg,\n  .modal-xl {\n    --#{$prefix}modal-width: #{$modal-lg};\n  }\n}\n\n@include media-breakpoint-up(xl) {\n  .modal-xl {\n    --#{$prefix}modal-width: #{$modal-xl};\n  }\n}\n\n// scss-docs-start modal-fullscreen-loop\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n  $postfix: if($infix != \"\", $infix + \"-down\", \"\");\n\n  @include media-breakpoint-down($breakpoint) {\n    .modal-fullscreen#{$postfix} {\n      width: 100vw;\n      max-width: none;\n      height: 100%;\n      margin: 0;\n\n      .modal-content {\n        height: 100%;\n        border: 0;\n        @include border-radius(0);\n      }\n\n      .modal-header,\n      .modal-footer {\n        @include border-radius(0);\n      }\n\n      .modal-body {\n        overflow-y: auto;\n      }\n    }\n  }\n}\n// scss-docs-end modal-fullscreen-loop\n","// Shared between modals and offcanvases\n@mixin overlay-backdrop($zindex, $backdrop-bg, $backdrop-opacity) {\n  position: fixed;\n  top: 0;\n  left: 0;\n  z-index: $zindex;\n  width: 100vw;\n  height: 100vh;\n  background-color: $backdrop-bg;\n\n  // Fade for backdrop\n  &.fade { opacity: 0; }\n  &.show { opacity: $backdrop-opacity; }\n}\n","// Base class\n.tooltip {\n  // scss-docs-start tooltip-css-vars\n  --#{$prefix}tooltip-zindex: #{$zindex-tooltip};\n  --#{$prefix}tooltip-max-width: #{$tooltip-max-width};\n  --#{$prefix}tooltip-padding-x: #{$tooltip-padding-x};\n  --#{$prefix}tooltip-padding-y: #{$tooltip-padding-y};\n  --#{$prefix}tooltip-margin: #{$tooltip-margin};\n  @include rfs($tooltip-font-size, --#{$prefix}tooltip-font-size);\n  --#{$prefix}tooltip-color: #{$tooltip-color};\n  --#{$prefix}tooltip-bg: #{$tooltip-bg};\n  --#{$prefix}tooltip-border-radius: #{$tooltip-border-radius};\n  --#{$prefix}tooltip-opacity: #{$tooltip-opacity};\n  --#{$prefix}tooltip-arrow-width: #{$tooltip-arrow-width};\n  --#{$prefix}tooltip-arrow-height: #{$tooltip-arrow-height};\n  // scss-docs-end tooltip-css-vars\n\n  z-index: var(--#{$prefix}tooltip-zindex);\n  display: block;\n  margin: var(--#{$prefix}tooltip-margin);\n  @include deprecate(\"`$tooltip-margin`\", \"v5\", \"v5.x\", true);\n  // Our parent element can be arbitrary since tooltips are by default inserted as a sibling of their target element.\n  // So reset our font and text properties to avoid inheriting weird values.\n  @include reset-text();\n  @include font-size(var(--#{$prefix}tooltip-font-size));\n  // Allow breaking very long words so they don't overflow the tooltip's bounds\n  word-wrap: break-word;\n  opacity: 0;\n\n  &.show { opacity: var(--#{$prefix}tooltip-opacity); }\n\n  .tooltip-arrow {\n    display: block;\n    width: var(--#{$prefix}tooltip-arrow-width);\n    height: var(--#{$prefix}tooltip-arrow-height);\n\n    &::before {\n      position: absolute;\n      content: \"\";\n      border-color: transparent;\n      border-style: solid;\n    }\n  }\n}\n\n.bs-tooltip-top .tooltip-arrow {\n  bottom: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n\n  &::before {\n    top: -1px;\n    border-width: var(--#{$prefix}tooltip-arrow-height) calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    border-top-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-tooltip-end .tooltip-arrow {\n  left: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n  width: var(--#{$prefix}tooltip-arrow-height);\n  height: var(--#{$prefix}tooltip-arrow-width);\n\n  &::before {\n    right: -1px;\n    border-width: calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height) calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    border-right-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-tooltip-bottom .tooltip-arrow {\n  top: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n\n  &::before {\n    bottom: -1px;\n    border-width: 0 calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height); // stylelint-disable-line function-disallowed-list\n    border-bottom-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-tooltip-start .tooltip-arrow {\n  right: calc(-1 * var(--#{$prefix}tooltip-arrow-height)); // stylelint-disable-line function-disallowed-list\n  width: var(--#{$prefix}tooltip-arrow-height);\n  height: var(--#{$prefix}tooltip-arrow-width);\n\n  &::before {\n    left: -1px;\n    border-width: calc(var(--#{$prefix}tooltip-arrow-width) * .5) 0 calc(var(--#{$prefix}tooltip-arrow-width) * .5) var(--#{$prefix}tooltip-arrow-height); // stylelint-disable-line function-disallowed-list\n    border-left-color: var(--#{$prefix}tooltip-bg);\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-tooltip-auto {\n  &[data-popper-placement^=\"top\"] {\n    @extend .bs-tooltip-top;\n  }\n  &[data-popper-placement^=\"right\"] {\n    @extend .bs-tooltip-end;\n  }\n  &[data-popper-placement^=\"bottom\"] {\n    @extend .bs-tooltip-bottom;\n  }\n  &[data-popper-placement^=\"left\"] {\n    @extend .bs-tooltip-start;\n  }\n}\n\n// Wrapper for the tooltip content\n.tooltip-inner {\n  max-width: var(--#{$prefix}tooltip-max-width);\n  padding: var(--#{$prefix}tooltip-padding-y) var(--#{$prefix}tooltip-padding-x);\n  color: var(--#{$prefix}tooltip-color);\n  text-align: center;\n  background-color: var(--#{$prefix}tooltip-bg);\n  @include border-radius(var(--#{$prefix}tooltip-border-radius));\n}\n","@mixin reset-text {\n  font-family: $font-family-base;\n  // We deliberately do NOT reset font-size or overflow-wrap / word-wrap.\n  font-style: normal;\n  font-weight: $font-weight-normal;\n  line-height: $line-height-base;\n  text-align: left; // Fallback for where `start` is not supported\n  text-align: start;\n  text-decoration: none;\n  text-shadow: none;\n  text-transform: none;\n  letter-spacing: normal;\n  word-break: normal;\n  white-space: normal;\n  word-spacing: normal;\n  line-break: auto;\n}\n",".popover {\n  // scss-docs-start popover-css-vars\n  --#{$prefix}popover-zindex: #{$zindex-popover};\n  --#{$prefix}popover-max-width: #{$popover-max-width};\n  @include rfs($popover-font-size, --#{$prefix}popover-font-size);\n  --#{$prefix}popover-bg: #{$popover-bg};\n  --#{$prefix}popover-border-width: #{$popover-border-width};\n  --#{$prefix}popover-border-color: #{$popover-border-color};\n  --#{$prefix}popover-border-radius: #{$popover-border-radius};\n  --#{$prefix}popover-inner-border-radius: #{$popover-inner-border-radius};\n  --#{$prefix}popover-box-shadow: #{$popover-box-shadow};\n  --#{$prefix}popover-header-padding-x: #{$popover-header-padding-x};\n  --#{$prefix}popover-header-padding-y: #{$popover-header-padding-y};\n  @include rfs($popover-header-font-size, --#{$prefix}popover-header-font-size);\n  --#{$prefix}popover-header-color: #{$popover-header-color};\n  --#{$prefix}popover-header-bg: #{$popover-header-bg};\n  --#{$prefix}popover-body-padding-x: #{$popover-body-padding-x};\n  --#{$prefix}popover-body-padding-y: #{$popover-body-padding-y};\n  --#{$prefix}popover-body-color: #{$popover-body-color};\n  --#{$prefix}popover-arrow-width: #{$popover-arrow-width};\n  --#{$prefix}popover-arrow-height: #{$popover-arrow-height};\n  --#{$prefix}popover-arrow-border: var(--#{$prefix}popover-border-color);\n  // scss-docs-end popover-css-vars\n\n  z-index: var(--#{$prefix}popover-zindex);\n  display: block;\n  max-width: var(--#{$prefix}popover-max-width);\n  // Our parent element can be arbitrary since tooltips are by default inserted as a sibling of their target element.\n  // So reset our font and text properties to avoid inheriting weird values.\n  @include reset-text();\n  @include font-size(var(--#{$prefix}popover-font-size));\n  // Allow breaking very long words so they don't overflow the popover's bounds\n  word-wrap: break-word;\n  background-color: var(--#{$prefix}popover-bg);\n  background-clip: padding-box;\n  border: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-border-color);\n  @include border-radius(var(--#{$prefix}popover-border-radius));\n  @include box-shadow(var(--#{$prefix}popover-box-shadow));\n\n  .popover-arrow {\n    display: block;\n    width: var(--#{$prefix}popover-arrow-width);\n    height: var(--#{$prefix}popover-arrow-height);\n\n    &::before,\n    &::after {\n      position: absolute;\n      display: block;\n      content: \"\";\n      border-color: transparent;\n      border-style: solid;\n      border-width: 0;\n    }\n  }\n}\n\n.bs-popover-top {\n  > .popover-arrow {\n    bottom: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n\n    &::before,\n    &::after {\n      border-width: var(--#{$prefix}popover-arrow-height) calc(var(--#{$prefix}popover-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      bottom: 0;\n      border-top-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      bottom: var(--#{$prefix}popover-border-width);\n      border-top-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-popover-end {\n  > .popover-arrow {\n    left: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n    width: var(--#{$prefix}popover-arrow-height);\n    height: var(--#{$prefix}popover-arrow-width);\n\n    &::before,\n    &::after {\n      border-width: calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height) calc(var(--#{$prefix}popover-arrow-width) * .5) 0; // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      left: 0;\n      border-right-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      left: var(--#{$prefix}popover-border-width);\n      border-right-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-popover-bottom {\n  > .popover-arrow {\n    top: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n\n    &::before,\n    &::after {\n      border-width: 0 calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height); // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      top: 0;\n      border-bottom-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      top: var(--#{$prefix}popover-border-width);\n      border-bottom-color: var(--#{$prefix}popover-bg);\n    }\n  }\n\n  // This will remove the popover-header's border just below the arrow\n  .popover-header::before {\n    position: absolute;\n    top: 0;\n    left: 50%;\n    display: block;\n    width: var(--#{$prefix}popover-arrow-width);\n    margin-left: calc(-.5 * var(--#{$prefix}popover-arrow-width)); // stylelint-disable-line function-disallowed-list\n    content: \"\";\n    border-bottom: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-header-bg);\n  }\n}\n\n/* rtl:begin:ignore */\n.bs-popover-start {\n  > .popover-arrow {\n    right: calc(-1 * (var(--#{$prefix}popover-arrow-height)) - var(--#{$prefix}popover-border-width)); // stylelint-disable-line function-disallowed-list\n    width: var(--#{$prefix}popover-arrow-height);\n    height: var(--#{$prefix}popover-arrow-width);\n\n    &::before,\n    &::after {\n      border-width: calc(var(--#{$prefix}popover-arrow-width) * .5) 0 calc(var(--#{$prefix}popover-arrow-width) * .5) var(--#{$prefix}popover-arrow-height); // stylelint-disable-line function-disallowed-list\n    }\n\n    &::before {\n      right: 0;\n      border-left-color: var(--#{$prefix}popover-arrow-border);\n    }\n\n    &::after {\n      right: var(--#{$prefix}popover-border-width);\n      border-left-color: var(--#{$prefix}popover-bg);\n    }\n  }\n}\n\n/* rtl:end:ignore */\n\n.bs-popover-auto {\n  &[data-popper-placement^=\"top\"] {\n    @extend .bs-popover-top;\n  }\n  &[data-popper-placement^=\"right\"] {\n    @extend .bs-popover-end;\n  }\n  &[data-popper-placement^=\"bottom\"] {\n    @extend .bs-popover-bottom;\n  }\n  &[data-popper-placement^=\"left\"] {\n    @extend .bs-popover-start;\n  }\n}\n\n// Offset the popover to account for the popover arrow\n.popover-header {\n  padding: var(--#{$prefix}popover-header-padding-y) var(--#{$prefix}popover-header-padding-x);\n  margin-bottom: 0; // Reset the default from Reboot\n  @include font-size(var(--#{$prefix}popover-header-font-size));\n  color: var(--#{$prefix}popover-header-color);\n  background-color: var(--#{$prefix}popover-header-bg);\n  border-bottom: var(--#{$prefix}popover-border-width) solid var(--#{$prefix}popover-border-color);\n  @include border-top-radius(var(--#{$prefix}popover-inner-border-radius));\n\n  &:empty {\n    display: none;\n  }\n}\n\n.popover-body {\n  padding: var(--#{$prefix}popover-body-padding-y) var(--#{$prefix}popover-body-padding-x);\n  color: var(--#{$prefix}popover-body-color);\n}\n","// Notes on the classes:\n//\n// 1. .carousel.pointer-event should ideally be pan-y (to allow for users to scroll vertically)\n//    even when their scroll action started on a carousel, but for compatibility (with Firefox)\n//    we're preventing all actions instead\n// 2. The .carousel-item-start and .carousel-item-end is used to indicate where\n//    the active slide is heading.\n// 3. .active.carousel-item is the current slide.\n// 4. .active.carousel-item-start and .active.carousel-item-end is the current\n//    slide in its in-transition state. Only one of these occurs at a time.\n// 5. .carousel-item-next.carousel-item-start and .carousel-item-prev.carousel-item-end\n//    is the upcoming slide in transition.\n\n.carousel {\n  position: relative;\n}\n\n.carousel.pointer-event {\n  touch-action: pan-y;\n}\n\n.carousel-inner {\n  position: relative;\n  width: 100%;\n  overflow: hidden;\n  @include clearfix();\n}\n\n.carousel-item {\n  position: relative;\n  display: none;\n  float: left;\n  width: 100%;\n  margin-right: -100%;\n  backface-visibility: hidden;\n  @include transition($carousel-transition);\n}\n\n.carousel-item.active,\n.carousel-item-next,\n.carousel-item-prev {\n  display: block;\n}\n\n.carousel-item-next:not(.carousel-item-start),\n.active.carousel-item-end {\n  transform: translateX(100%);\n}\n\n.carousel-item-prev:not(.carousel-item-end),\n.active.carousel-item-start {\n  transform: translateX(-100%);\n}\n\n\n//\n// Alternate transitions\n//\n\n.carousel-fade {\n  .carousel-item {\n    opacity: 0;\n    transition-property: opacity;\n    transform: none;\n  }\n\n  .carousel-item.active,\n  .carousel-item-next.carousel-item-start,\n  .carousel-item-prev.carousel-item-end {\n    z-index: 1;\n    opacity: 1;\n  }\n\n  .active.carousel-item-start,\n  .active.carousel-item-end {\n    z-index: 0;\n    opacity: 0;\n    @include transition(opacity 0s $carousel-transition-duration);\n  }\n}\n\n\n//\n// Left/right controls for nav\n//\n\n.carousel-control-prev,\n.carousel-control-next {\n  position: absolute;\n  top: 0;\n  bottom: 0;\n  z-index: 1;\n  // Use flex for alignment (1-3)\n  display: flex; // 1. allow flex styles\n  align-items: center; // 2. vertically center contents\n  justify-content: center; // 3. horizontally center contents\n  width: $carousel-control-width;\n  padding: 0;\n  color: $carousel-control-color;\n  text-align: center;\n  background: none;\n  border: 0;\n  opacity: $carousel-control-opacity;\n  @include transition($carousel-control-transition);\n\n  // Hover/focus state\n  &:hover,\n  &:focus {\n    color: $carousel-control-color;\n    text-decoration: none;\n    outline: 0;\n    opacity: $carousel-control-hover-opacity;\n  }\n}\n.carousel-control-prev {\n  left: 0;\n  background-image: if($enable-gradients, linear-gradient(90deg, rgba($black, .25), rgba($black, .001)), null);\n}\n.carousel-control-next {\n  right: 0;\n  background-image: if($enable-gradients, linear-gradient(270deg, rgba($black, .25), rgba($black, .001)), null);\n}\n\n// Icons for within\n.carousel-control-prev-icon,\n.carousel-control-next-icon {\n  display: inline-block;\n  width: $carousel-control-icon-width;\n  height: $carousel-control-icon-width;\n  background-repeat: no-repeat;\n  background-position: 50%;\n  background-size: 100% 100%;\n}\n\n.carousel-control-prev-icon {\n  background-image: escape-svg($carousel-control-prev-icon-bg) #{\"/*rtl:\" + escape-svg($carousel-control-next-icon-bg) + \"*/\"};\n}\n.carousel-control-next-icon {\n  background-image: escape-svg($carousel-control-next-icon-bg) #{\"/*rtl:\" + escape-svg($carousel-control-prev-icon-bg) + \"*/\"};\n}\n\n// Optional indicator pips/controls\n//\n// Add a container (such as a list) with the following class and add an item (ideally a focusable control,\n// like a button) with data-bs-target for each slide your carousel holds.\n\n.carousel-indicators {\n  position: absolute;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  z-index: 2;\n  display: flex;\n  justify-content: center;\n  padding: 0;\n  // Use the .carousel-control's width as margin so we don't overlay those\n  margin-right: $carousel-control-width;\n  margin-bottom: 1rem;\n  margin-left: $carousel-control-width;\n\n  [data-bs-target] {\n    box-sizing: content-box;\n    flex: 0 1 auto;\n    width: $carousel-indicator-width;\n    height: $carousel-indicator-height;\n    padding: 0;\n    margin-right: $carousel-indicator-spacer;\n    margin-left: $carousel-indicator-spacer;\n    text-indent: -999px;\n    cursor: pointer;\n    background-color: $carousel-indicator-active-bg;\n    background-clip: padding-box;\n    border: 0;\n    // Use transparent borders to increase the hit area by 10px on top and bottom.\n    border-top: $carousel-indicator-hit-area-height solid transparent;\n    border-bottom: $carousel-indicator-hit-area-height solid transparent;\n    opacity: $carousel-indicator-opacity;\n    @include transition($carousel-indicator-transition);\n  }\n\n  .active {\n    opacity: $carousel-indicator-active-opacity;\n  }\n}\n\n\n// Optional captions\n//\n//\n\n.carousel-caption {\n  position: absolute;\n  right: (100% - $carousel-caption-width) * .5;\n  bottom: $carousel-caption-spacer;\n  left: (100% - $carousel-caption-width) * .5;\n  padding-top: $carousel-caption-padding-y;\n  padding-bottom: $carousel-caption-padding-y;\n  color: $carousel-caption-color;\n  text-align: center;\n}\n\n// Dark mode carousel\n\n@mixin carousel-dark() {\n  .carousel-control-prev-icon,\n  .carousel-control-next-icon {\n    filter: $carousel-dark-control-icon-filter;\n  }\n\n  .carousel-indicators [data-bs-target] {\n    background-color: $carousel-dark-indicator-active-bg;\n  }\n\n  .carousel-caption {\n    color: $carousel-dark-caption-color;\n  }\n}\n\n.carousel-dark {\n  @include carousel-dark();\n}\n\n@if $enable-dark-mode {\n  @include color-mode(dark) {\n    @if $color-mode-type == \"media-query\" {\n      .carousel {\n        @include carousel-dark();\n      }\n    } @else {\n      .carousel,\n      &.carousel {\n        @include carousel-dark();\n      }\n    }\n  }\n}\n","// scss-docs-start clearfix\n@mixin clearfix() {\n  &::after {\n    display: block;\n    clear: both;\n    content: \"\";\n  }\n}\n// scss-docs-end clearfix\n","//\n// Rotating border\n//\n\n.spinner-grow,\n.spinner-border {\n  display: inline-block;\n  width: var(--#{$prefix}spinner-width);\n  height: var(--#{$prefix}spinner-height);\n  vertical-align: var(--#{$prefix}spinner-vertical-align);\n  // stylelint-disable-next-line property-disallowed-list\n  border-radius: 50%;\n  animation: var(--#{$prefix}spinner-animation-speed) linear infinite var(--#{$prefix}spinner-animation-name);\n}\n\n// scss-docs-start spinner-border-keyframes\n@keyframes spinner-border {\n  to { transform: rotate(360deg) #{\"/* rtl:ignore */\"}; }\n}\n// scss-docs-end spinner-border-keyframes\n\n.spinner-border {\n  // scss-docs-start spinner-border-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width};\n  --#{$prefix}spinner-height: #{$spinner-height};\n  --#{$prefix}spinner-vertical-align: #{$spinner-vertical-align};\n  --#{$prefix}spinner-border-width: #{$spinner-border-width};\n  --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed};\n  --#{$prefix}spinner-animation-name: spinner-border;\n  // scss-docs-end spinner-border-css-vars\n\n  border: var(--#{$prefix}spinner-border-width) solid currentcolor;\n  border-right-color: transparent;\n}\n\n.spinner-border-sm {\n  // scss-docs-start spinner-border-sm-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width-sm};\n  --#{$prefix}spinner-height: #{$spinner-height-sm};\n  --#{$prefix}spinner-border-width: #{$spinner-border-width-sm};\n  // scss-docs-end spinner-border-sm-css-vars\n}\n\n//\n// Growing circle\n//\n\n// scss-docs-start spinner-grow-keyframes\n@keyframes spinner-grow {\n  0% {\n    transform: scale(0);\n  }\n  50% {\n    opacity: 1;\n    transform: none;\n  }\n}\n// scss-docs-end spinner-grow-keyframes\n\n.spinner-grow {\n  // scss-docs-start spinner-grow-css-vars\n  --#{$prefix}spinner-width: #{$spinner-width};\n  --#{$prefix}spinner-height: #{$spinner-height};\n  --#{$prefix}spinner-vertical-align: #{$spinner-vertical-align};\n  --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed};\n  --#{$prefix}spinner-animation-name: spinner-grow;\n  // scss-docs-end spinner-grow-css-vars\n\n  background-color: currentcolor;\n  opacity: 0;\n}\n\n.spinner-grow-sm {\n  --#{$prefix}spinner-width: #{$spinner-width-sm};\n  --#{$prefix}spinner-height: #{$spinner-height-sm};\n}\n\n@if $enable-reduced-motion {\n  @media (prefers-reduced-motion: reduce) {\n    .spinner-border,\n    .spinner-grow {\n      --#{$prefix}spinner-animation-speed: #{$spinner-animation-speed * 2};\n    }\n  }\n}\n","// stylelint-disable function-disallowed-list\n\n%offcanvas-css-vars {\n  // scss-docs-start offcanvas-css-vars\n  --#{$prefix}offcanvas-zindex: #{$zindex-offcanvas};\n  --#{$prefix}offcanvas-width: #{$offcanvas-horizontal-width};\n  --#{$prefix}offcanvas-height: #{$offcanvas-vertical-height};\n  --#{$prefix}offcanvas-padding-x: #{$offcanvas-padding-x};\n  --#{$prefix}offcanvas-padding-y: #{$offcanvas-padding-y};\n  --#{$prefix}offcanvas-color: #{$offcanvas-color};\n  --#{$prefix}offcanvas-bg: #{$offcanvas-bg-color};\n  --#{$prefix}offcanvas-border-width: #{$offcanvas-border-width};\n  --#{$prefix}offcanvas-border-color: #{$offcanvas-border-color};\n  --#{$prefix}offcanvas-box-shadow: #{$offcanvas-box-shadow};\n  --#{$prefix}offcanvas-transition: #{transform $offcanvas-transition-duration ease-in-out};\n  --#{$prefix}offcanvas-title-line-height: #{$offcanvas-title-line-height};\n  // scss-docs-end offcanvas-css-vars\n}\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $next: breakpoint-next($breakpoint, $grid-breakpoints);\n  $infix: breakpoint-infix($next, $grid-breakpoints);\n\n  .offcanvas#{$infix} {\n    @extend %offcanvas-css-vars;\n  }\n}\n\n@each $breakpoint in map-keys($grid-breakpoints) {\n  $next: breakpoint-next($breakpoint, $grid-breakpoints);\n  $infix: breakpoint-infix($next, $grid-breakpoints);\n\n  .offcanvas#{$infix} {\n    @include media-breakpoint-down($next) {\n      position: fixed;\n      bottom: 0;\n      z-index: var(--#{$prefix}offcanvas-zindex);\n      display: flex;\n      flex-direction: column;\n      max-width: 100%;\n      color: var(--#{$prefix}offcanvas-color);\n      visibility: hidden;\n      background-color: var(--#{$prefix}offcanvas-bg);\n      background-clip: padding-box;\n      outline: 0;\n      @include box-shadow(var(--#{$prefix}offcanvas-box-shadow));\n      @include transition(var(--#{$prefix}offcanvas-transition));\n\n      &.offcanvas-start {\n        top: 0;\n        left: 0;\n        width: var(--#{$prefix}offcanvas-width);\n        border-right: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateX(-100%);\n      }\n\n      &.offcanvas-end {\n        top: 0;\n        right: 0;\n        width: var(--#{$prefix}offcanvas-width);\n        border-left: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateX(100%);\n      }\n\n      &.offcanvas-top {\n        top: 0;\n        right: 0;\n        left: 0;\n        height: var(--#{$prefix}offcanvas-height);\n        max-height: 100%;\n        border-bottom: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateY(-100%);\n      }\n\n      &.offcanvas-bottom {\n        right: 0;\n        left: 0;\n        height: var(--#{$prefix}offcanvas-height);\n        max-height: 100%;\n        border-top: var(--#{$prefix}offcanvas-border-width) solid var(--#{$prefix}offcanvas-border-color);\n        transform: translateY(100%);\n      }\n\n      &.showing,\n      &.show:not(.hiding) {\n        transform: none;\n      }\n\n      &.showing,\n      &.hiding,\n      &.show {\n        visibility: visible;\n      }\n    }\n\n    @if not ($infix == \"\") {\n      @include media-breakpoint-up($next) {\n        --#{$prefix}offcanvas-height: auto;\n        --#{$prefix}offcanvas-border-width: 0;\n        background-color: transparent !important; // stylelint-disable-line declaration-no-important\n\n        .offcanvas-header {\n          display: none;\n        }\n\n        .offcanvas-body {\n          display: flex;\n          flex-grow: 0;\n          padding: 0;\n          overflow-y: visible;\n          // Reset `background-color` in case `.bg-*` classes are used in offcanvas\n          background-color: transparent !important; // stylelint-disable-line declaration-no-important\n        }\n      }\n    }\n  }\n}\n\n.offcanvas-backdrop {\n  @include overlay-backdrop($zindex-offcanvas-backdrop, $offcanvas-backdrop-bg, $offcanvas-backdrop-opacity);\n}\n\n.offcanvas-header {\n  display: flex;\n  align-items: center;\n  padding: var(--#{$prefix}offcanvas-padding-y) var(--#{$prefix}offcanvas-padding-x);\n\n  .btn-close {\n    padding: calc(var(--#{$prefix}offcanvas-padding-y) * .5) calc(var(--#{$prefix}offcanvas-padding-x) * .5);\n    margin: calc(-.5 * var(--#{$prefix}offcanvas-padding-y)) calc(-.5 * var(--#{$prefix}offcanvas-padding-x)) calc(-.5 * var(--#{$prefix}offcanvas-padding-y)) auto;\n  }\n}\n\n.offcanvas-title {\n  margin-bottom: 0;\n  line-height: var(--#{$prefix}offcanvas-title-line-height);\n}\n\n.offcanvas-body {\n  flex-grow: 1;\n  padding: var(--#{$prefix}offcanvas-padding-y) var(--#{$prefix}offcanvas-padding-x);\n  overflow-y: auto;\n}\n",".placeholder {\n  display: inline-block;\n  min-height: 1em;\n  vertical-align: middle;\n  cursor: wait;\n  background-color: currentcolor;\n  opacity: $placeholder-opacity-max;\n\n  &.btn::before {\n    display: inline-block;\n    content: \"\";\n  }\n}\n\n// Sizing\n.placeholder-xs {\n  min-height: .6em;\n}\n\n.placeholder-sm {\n  min-height: .8em;\n}\n\n.placeholder-lg {\n  min-height: 1.2em;\n}\n\n// Animation\n.placeholder-glow {\n  .placeholder {\n    animation: placeholder-glow 2s ease-in-out infinite;\n  }\n}\n\n@keyframes placeholder-glow {\n  50% {\n    opacity: $placeholder-opacity-min;\n  }\n}\n\n.placeholder-wave {\n  mask-image: linear-gradient(130deg, $black 55%, rgba(0, 0, 0, (1 - $placeholder-opacity-min)) 75%, $black 95%);\n  mask-size: 200% 100%;\n  animation: placeholder-wave 2s linear infinite;\n}\n\n@keyframes placeholder-wave {\n  100% {\n    mask-position: -200% 0%;\n  }\n}\n","// All-caps `RGBA()` function used because of this Sass bug: https://github.com/sass/node-sass/issues/2251\n@each $color, $value in $theme-colors {\n  .text-bg-#{$color} {\n    color: color-contrast($value) if($enable-important-utilities, !important, null);\n    background-color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}bg-opacity, 1)) if($enable-important-utilities, !important, null);\n  }\n}\n","// All-caps `RGBA()` function used because of this Sass bug: https://github.com/sass/node-sass/issues/2251\n@each $color, $value in $theme-colors {\n  .link-#{$color} {\n    color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n    text-decoration-color: RGBA(var(--#{$prefix}#{$color}-rgb), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n\n    @if $link-shade-percentage != 0 {\n      &:hover,\n      &:focus {\n        $hover-color: if(color-contrast($value) == $color-contrast-light, shade-color($value, $link-shade-percentage), tint-color($value, $link-shade-percentage));\n        color: RGBA(#{to-rgb($hover-color)}, var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n        text-decoration-color: RGBA(to-rgb($hover-color), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n      }\n    }\n  }\n}\n\n// One-off special link helper as a bridge until v6\n.link-body-emphasis {\n  color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-opacity, 1)) if($enable-important-utilities, !important, null);\n  text-decoration-color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-underline-opacity, 1)) if($enable-important-utilities, !important, null);\n\n  @if $link-shade-percentage != 0 {\n    &:hover,\n    &:focus {\n      color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-opacity, .75)) if($enable-important-utilities, !important, null);\n      text-decoration-color: RGBA(var(--#{$prefix}emphasis-color-rgb), var(--#{$prefix}link-underline-opacity, .75)) if($enable-important-utilities, !important, null);\n    }\n  }\n}\n",".focus-ring:focus {\n  outline: 0;\n  // By default, there is no `--bs-focus-ring-x`, `--bs-focus-ring-y`, or `--bs-focus-ring-blur`, but we provide CSS variables with fallbacks to initial `0` values\n  box-shadow: var(--#{$prefix}focus-ring-x, 0) var(--#{$prefix}focus-ring-y, 0) var(--#{$prefix}focus-ring-blur, 0) var(--#{$prefix}focus-ring-width) var(--#{$prefix}focus-ring-color);\n}\n",".icon-link {\n  display: inline-flex;\n  gap: $icon-link-gap;\n  align-items: center;\n  text-decoration-color: rgba(var(--#{$prefix}link-color-rgb), var(--#{$prefix}link-opacity, .5));\n  text-underline-offset: $icon-link-underline-offset;\n  backface-visibility: hidden;\n\n  > .bi {\n    flex-shrink: 0;\n    width: $icon-link-icon-size;\n    height: $icon-link-icon-size;\n    fill: currentcolor;\n    @include transition($icon-link-icon-transition);\n  }\n}\n\n.icon-link-hover {\n  &:hover,\n  &:focus-visible {\n    > .bi {\n      transform: var(--#{$prefix}icon-link-transform, $icon-link-icon-transform);\n    }\n  }\n}\n","// Credit: Nicolas Gallagher and SUIT CSS.\n\n.ratio {\n  position: relative;\n  width: 100%;\n\n  &::before {\n    display: block;\n    padding-top: var(--#{$prefix}aspect-ratio);\n    content: \"\";\n  }\n\n  > * {\n    position: absolute;\n    top: 0;\n    left: 0;\n    width: 100%;\n    height: 100%;\n  }\n}\n\n@each $key, $ratio in $aspect-ratios {\n  .ratio-#{$key} {\n    --#{$prefix}aspect-ratio: #{$ratio};\n  }\n}\n","// Shorthand\n\n.fixed-top {\n  position: fixed;\n  top: 0;\n  right: 0;\n  left: 0;\n  z-index: $zindex-fixed;\n}\n\n.fixed-bottom {\n  position: fixed;\n  right: 0;\n  bottom: 0;\n  left: 0;\n  z-index: $zindex-fixed;\n}\n\n// Responsive sticky top and bottom\n@each $breakpoint in map-keys($grid-breakpoints) {\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    .sticky#{$infix}-top {\n      position: sticky;\n      top: 0;\n      z-index: $zindex-sticky;\n    }\n\n    .sticky#{$infix}-bottom {\n      position: sticky;\n      bottom: 0;\n      z-index: $zindex-sticky;\n    }\n  }\n}\n","// scss-docs-start stacks\n.hstack {\n  display: flex;\n  flex-direction: row;\n  align-items: center;\n  align-self: stretch;\n}\n\n.vstack {\n  display: flex;\n  flex: 1 1 auto;\n  flex-direction: column;\n  align-self: stretch;\n}\n// scss-docs-end stacks\n","//\n// Visually hidden\n//\n\n.visually-hidden,\n.visually-hidden-focusable:not(:focus):not(:focus-within) {\n  @include visually-hidden();\n}\n","// stylelint-disable declaration-no-important\n\n// Hide content visually while keeping it accessible to assistive technologies\n//\n// See: https://www.a11yproject.com/posts/2013-01-11-how-to-hide-content/\n// See: https://kittygiraudel.com/2016/10/13/css-hide-and-seek/\n\n@mixin visually-hidden() {\n  width: 1px !important;\n  height: 1px !important;\n  padding: 0 !important;\n  margin: -1px !important; // Fix for https://github.com/twbs/bootstrap/issues/25686\n  overflow: hidden !important;\n  clip: rect(0, 0, 0, 0) !important;\n  white-space: nowrap !important;\n  border: 0 !important;\n\n  // Fix for positioned table caption that could become anonymous cells\n  &:not(caption) {\n    position: absolute !important;\n  }\n}\n\n// Use to only display content when it's focused, or one of its child elements is focused\n// (i.e. when focus is within the element/container that the class was applied to)\n//\n// Useful for \"Skip to main content\" links; see https://www.w3.org/TR/2013/NOTE-WCAG20-TECHS-20130905/G1\n\n@mixin visually-hidden-focusable() {\n  &:not(:focus):not(:focus-within) {\n    @include visually-hidden();\n  }\n}\n","//\n// Stretched link\n//\n\n.stretched-link {\n  &::#{$stretched-link-pseudo-element} {\n    position: absolute;\n    top: 0;\n    right: 0;\n    bottom: 0;\n    left: 0;\n    z-index: $stretched-link-z-index;\n    content: \"\";\n  }\n}\n","//\n// Text truncation\n//\n\n.text-truncate {\n  @include text-truncate();\n}\n","// Text truncate\n// Requires inline-block or block for proper styling\n\n@mixin text-truncate() {\n  overflow: hidden;\n  text-overflow: ellipsis;\n  white-space: nowrap;\n}\n",".vr {\n  display: inline-block;\n  align-self: stretch;\n  width: $vr-border-width;\n  min-height: 1em;\n  background-color: currentcolor;\n  opacity: $hr-opacity;\n}\n","// Utility generator\n// Used to generate utilities & print utilities\n@mixin generate-utility($utility, $infix: \"\", $is-rfs-media-query: false) {\n  $values: map-get($utility, values);\n\n  // If the values are a list or string, convert it into a map\n  @if type-of($values) == \"string\" or type-of(nth($values, 1)) != \"list\" {\n    $values: zip($values, $values);\n  }\n\n  @each $key, $value in $values {\n    $properties: map-get($utility, property);\n\n    // Multiple properties are possible, for example with vertical or horizontal margins or paddings\n    @if type-of($properties) == \"string\" {\n      $properties: append((), $properties);\n    }\n\n    // Use custom class if present\n    $property-class: if(map-has-key($utility, class), map-get($utility, class), nth($properties, 1));\n    $property-class: if($property-class == null, \"\", $property-class);\n\n    // Use custom CSS variable name if present, otherwise default to `class`\n    $css-variable-name: if(map-has-key($utility, css-variable-name), map-get($utility, css-variable-name), map-get($utility, class));\n\n    // State params to generate pseudo-classes\n    $state: if(map-has-key($utility, state), map-get($utility, state), ());\n\n    $infix: if($property-class == \"\" and str-slice($infix, 1, 1) == \"-\", str-slice($infix, 2), $infix);\n\n    // Don't prefix if value key is null (e.g. with shadow class)\n    $property-class-modifier: if($key, if($property-class == \"\" and $infix == \"\", \"\", \"-\") + $key, \"\");\n\n    @if map-get($utility, rfs) {\n      // Inside the media query\n      @if $is-rfs-media-query {\n        $val: rfs-value($value);\n\n        // Do not render anything if fluid and non fluid values are the same\n        $value: if($val == rfs-fluid-value($value), null, $val);\n      }\n      @else {\n        $value: rfs-fluid-value($value);\n      }\n    }\n\n    $is-css-var: map-get($utility, css-var);\n    $is-local-vars: map-get($utility, local-vars);\n    $is-rtl: map-get($utility, rtl);\n\n    @if $value != null {\n      @if $is-rtl == false {\n        /* rtl:begin:remove */\n      }\n\n      @if $is-css-var {\n        .#{$property-class + $infix + $property-class-modifier} {\n          --#{$prefix}#{$css-variable-name}: #{$value};\n        }\n\n        @each $pseudo in $state {\n          .#{$property-class + $infix + $property-class-modifier}-#{$pseudo}:#{$pseudo} {\n            --#{$prefix}#{$css-variable-name}: #{$value};\n          }\n        }\n      } @else {\n        .#{$property-class + $infix + $property-class-modifier} {\n          @each $property in $properties {\n            @if $is-local-vars {\n              @each $local-var, $variable in $is-local-vars {\n                --#{$prefix}#{$local-var}: #{$variable};\n              }\n            }\n            #{$property}: $value if($enable-important-utilities, !important, null);\n          }\n        }\n\n        @each $pseudo in $state {\n          .#{$property-class + $infix + $property-class-modifier}-#{$pseudo}:#{$pseudo} {\n            @each $property in $properties {\n              @if $is-local-vars {\n                @each $local-var, $variable in $is-local-vars {\n                  --#{$prefix}#{$local-var}: #{$variable};\n                }\n              }\n              #{$property}: $value if($enable-important-utilities, !important, null);\n            }\n          }\n        }\n      }\n\n      @if $is-rtl == false {\n        /* rtl:end:remove */\n      }\n    }\n  }\n}\n","// Loop over each breakpoint\n@each $breakpoint in map-keys($grid-breakpoints) {\n\n  // Generate media query if needed\n  @include media-breakpoint-up($breakpoint) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    // Loop over each utility property\n    @each $key, $utility in $utilities {\n      // The utility can be disabled with `false`, thus check if the utility is a map first\n      // Only proceed if responsive media queries are enabled or if it's the base media query\n      @if type-of($utility) == \"map\" and (map-get($utility, responsive) or $infix == \"\") {\n        @include generate-utility($utility, $infix);\n      }\n    }\n  }\n}\n\n// RFS rescaling\n@media (min-width: $rfs-mq-value) {\n  @each $breakpoint in map-keys($grid-breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $grid-breakpoints);\n\n    @if (map-get($grid-breakpoints, $breakpoint) < $rfs-breakpoint) {\n      // Loop over each utility property\n      @each $key, $utility in $utilities {\n        // The utility can be disabled with `false`, thus check if the utility is a map first\n        // Only proceed if responsive media queries are enabled or if it's the base media query\n        @if type-of($utility) == \"map\" and map-get($utility, rfs) and (map-get($utility, responsive) or $infix == \"\") {\n          @include generate-utility($utility, $infix, true);\n        }\n      }\n    }\n  }\n}\n\n\n// Print utilities\n@media print {\n  @each $key, $utility in $utilities {\n    // The utility can be disabled with `false`, thus check if the utility is a map first\n    // Then check if the utility needs print styles\n    @if type-of($utility) == \"map\" and map-get($utility, print) == true {\n      @include generate-utility($utility, \"-print\");\n    }\n  }\n}\n"],"names":[],"sourceRoot":""}
\ No newline at end of file
diff --git a/_static/styles/pydata-sphinx-theme.css b/_static/styles/pydata-sphinx-theme.css
index b81ac474d..3610bf34f 100644
--- a/_static/styles/pydata-sphinx-theme.css
+++ b/_static/styles/pydata-sphinx-theme.css
@@ -1,2 +1,2 @@
-html{--pst-header-height:4rem;--pst-header-article-height:calc(var(--pst-header-height)*2/3);--pst-sidebar-secondary:17rem;--pst-font-size-base:1rem;--pst-font-size-h1:2.5rem;--pst-font-size-h2:2rem;--pst-font-size-h3:1.75rem;--pst-font-size-h4:1.5rem;--pst-font-size-h5:1.25rem;--pst-font-size-h6:1.1rem;--pst-font-size-milli:0.9rem;--pst-sidebar-font-size:0.9rem;--pst-sidebar-font-size-mobile:1.1rem;--pst-sidebar-header-font-size:1.2rem;--pst-sidebar-header-font-weight:600;--pst-admonition-font-weight-heading:600;--pst-font-weight-caption:300;--pst-font-weight-heading:400;--pst-font-family-base-system:-apple-system,BlinkMacSystemFont,Segoe UI,"Helvetica Neue",Arial,sans-serif,Apple Color Emoji,Segoe UI Emoji,Segoe UI Symbol;--pst-font-family-monospace-system:"SFMono-Regular",Menlo,Consolas,Monaco,Liberation Mono,Lucida Console,monospace;--pst-font-family-base:var(--pst-font-family-base-system);--pst-font-family-heading:var(--pst-font-family-base-system);--pst-font-family-monospace:var(--pst-font-family-monospace-system);--pst-font-size-icon:1.5rem;--pst-icon-check-circle:"";--pst-icon-info-circle:"";--pst-icon-exclamation-triangle:"";--pst-icon-exclamation-circle:"";--pst-icon-times-circle:"";--pst-icon-lightbulb:"";--pst-icon-download:"";--pst-icon-angle-left:"";--pst-icon-angle-right:"";--pst-icon-external-link:"";--pst-icon-search-minus:"";--pst-icon-github:"";--pst-icon-gitlab:"";--pst-icon-share:"";--pst-icon-bell:"";--pst-icon-pencil:"";--pst-breadcrumb-divider:"";--pst-icon-admonition-default:var(--pst-icon-bell);--pst-icon-admonition-note:var(--pst-icon-info-circle);--pst-icon-admonition-attention:var(--pst-icon-exclamation-circle);--pst-icon-admonition-caution:var(--pst-icon-exclamation-triangle);--pst-icon-admonition-warning:var(--pst-icon-exclamation-triangle);--pst-icon-admonition-danger:var(--pst-icon-exclamation-triangle);--pst-icon-admonition-error:var(--pst-icon-times-circle);--pst-icon-admonition-hint:var(--pst-icon-lightbulb);--pst-icon-admonition-tip:var(--pst-icon-lightbulb);--pst-icon-admonition-important:var(--pst-icon-exclamation-circle);--pst-icon-admonition-seealso:var(--pst-icon-share);--pst-icon-admonition-todo:var(--pst-icon-pencil);--pst-icon-versionmodified-default:var(--pst-icon-exclamation-circle);--pst-icon-versionmodified-added:var(--pst-icon-exclamation-circle);--pst-icon-versionmodified-changed:var(--pst-icon-exclamation-circle);--pst-icon-versionmodified-deprecated:var(--pst-icon-exclamation-circle);font-size:var(--pst-font-size-base);scroll-padding-top:calc(var(--pst-header-height) + 1rem)}body{background-color:var(--pst-color-background);color:var(--pst-color-text-base);display:flex;flex-direction:column;font-family:var(--pst-font-family-base);font-weight:400;line-height:1.65;min-height:100vh}body::-webkit-scrollbar-track{background:var(--pst-color-background)}p{color:var(--pst-color-text-base);font-size:1em;margin-bottom:1.15rem}p.rubric{border-bottom:1px solid var(--pst-color-border)}p.centered{text-align:center}a{word-wrap:break-word;color:var(--pst-color-link);text-decoration:underline;text-decoration-thickness:max(1px,.0625rem);text-underline-offset:.1578em}a:hover{text-decoration-skip:none;color:var(--pst-color-link-hover);text-decoration-skip-ink:none;text-decoration-thickness:max(3px,.1875rem,.12em)}a:active,a:visited{color:var(--pst-color-link)}a:visited:hover{color:var(--pst-color-link-hover)}a:focus-visible{outline:2px solid var(--pst-color-accent)}a.headerlink{color:var(--pst-color-secondary);font-size:.8em;margin-left:.2em;opacity:.7;padding:0 4px;text-decoration:none;transition:all .2s ease-out;user-select:none}a.headerlink:hover{opacity:1}a.github:before,a.gitlab:before{color:var(--pst-color-text-muted);font:var(--fa-font-brands);margin-right:.25rem}a.github:before{content:var(--pst-icon-github)}a.gitlab:before{content:var(--pst-icon-gitlab)}.heading-style,h1,h2,h3,h4,h5,h6{font-family:var(--pst-font-family-heading);font-weight:var(--pst-font-weight-heading);line-height:1.15;margin:2.75rem 0 1.05rem}h1{font-size:var(--pst-font-size-h1);margin-top:0}h1,h2{color:var(--pst-heading-color)}h2{font-size:var(--pst-font-size-h2)}h3{font-size:var(--pst-font-size-h3)}h3,h4{color:var(--pst-heading-color)}h4{font-size:var(--pst-font-size-h4)}h5{font-size:var(--pst-font-size-h5)}h5,h6{color:var(--pst-color-text-base)}h6{font-size:var(--pst-font-size-h6)}.text_small,small{font-size:var(--pst-font-size-milli)}hr{border:0;border-top:1px solid var(--pst-color-border)}code,kbd,pre,samp{font-family:var(--pst-font-family-monospace)}kbd{background-color:var(--pst-color-on-background);color:var(--pst-color-text-muted)}kbd:not(.compound){border:1px solid var(--pst-color-border);box-shadow:1px 1px 1px var(--pst-color-shadow);margin:0 .1rem;padding:.1rem .4rem}code{color:var(--pst-color-inline-code)}pre{background-color:var(--pst-color-surface);border:1px solid var(--pst-color-border);border-radius:.25rem;color:var(--pst-color-text-base);line-height:1.2em;margin:1.5em 0;padding:1rem}pre .linenos{opacity:.8;padding-right:10px}#pst-back-to-top{background-color:var(--pst-color-secondary);border:none;color:var(--pst-color-secondary-text);display:none;left:50vw;position:fixed;top:90vh;transform:translate(-50%);z-index:1080}.skip-link{background-color:var(--pst-color-warning);border-bottom:1px solid 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index cf7f6abd8..2d89817d9 100644
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details.toggle-details summary{border-left:3px solid var(--pst-color-primary)}html div.rendered_html html .jp-RenderedHTMLCommon table{table-layout:auto}html[data-theme=dark] .bd-content .nboutput .output_area.rendered_html{color:var(--pst-color-on-background);background-color:var(--pst-color-text-base);border-radius:.25rem;padding:.5rem}html[data-theme=dark] .bd-content .nboutput .output_area.stderr{background:var(--pst-color-danger)}div.nblast.container{margin-bottom:1rem}div.cell_output .output{max-width:100%;overflow-x:auto}html[data-theme=dark] .bd-content div.cell_output img,html[data-theme=dark] .bd-content div.cell_output .text_html{color:var(--pst-color-on-background);background-color:var(--pst-color-text-base);border-radius:.25rem;padding:.5rem}.bd-content div.cell_input{display:flex;flex-direction:column;justify-content:stretch}.bd-content div.cell_input,.bd-content div.output{border-radius:.25rem}.bd-content div.output table{table-layout:auto}html[data-theme=dark] .bd-content img.leaflet-tile.leaflet-tile-loaded{border-radius:0;padding:0}.bd-search-container div#search-results>h2{font-size:var(--pst-font-size-icon);margin-top:0}.bd-search-container div#search-results p.search-summary{color:var(--pst-color-text-muted)}.bd-search-container ul.search{margin:0;list-style:none}.bd-search-container ul.search li{background-image:none;padding:1rem 0;margin:1rem 0;border-top:1px solid var(--pst-color-text-muted)}.bd-search-container ul.search li>a{font-size:1.2em}.bd-search-container ul.search li div.context,.bd-search-container ul.search li p.context{color:var(--pst-color-text-base);margin:.5em 0 0 0}.bd-search-container ul.search li div.context a:before,.bd-search-container ul.search li p.context a:before{content:\"#\";padding-right:.2em;color:var(--pst-color-text-muted)}","html {\n  /*****************************************************************************\n  * Overall Layout Variables\n  */\n\n  // Header height will impact the top offset for many sections\n  // Article header is 66% of Header\n  --pst-header-height: 4rem;\n  --pst-header-article-height: calc(var(--pst-header-height) * 2 / 3);\n  --pst-sidebar-secondary: 17rem;\n}\n\n/*******************************************************************************\n* Breakpoints that trigger UI changes\n*\n* Note that media-breakpoint-down begins at the next highest level!\n* So we should choose a media-breakpoint-down one *lower* than when we want to start\n* example: media-breakpoint-up(md) and media-breakpoint-down(sm) trigger at the same time\n* ref: https://github.com/twbs/bootstrap/issues/31214\n*/\n$breakpoint-sidebar-primary: lg; // When we collapse the primary sidebar\n$breakpoint-sidebar-secondary: xl; // When we collapse the secondary sidebar\n$breakpoint-page-width: 88rem; // taken from sphinx-basic-ng, which we are ultimately going to inherit\n\n/*******************************************************************************\n* Define the animation behaviour\n*/\n$animation-time: 200ms;\n\n/*******************************************************************************\n* UI shaping and padding\n*/\n$admonition-border-radius: 0.25rem;\n","html {\n  /*****************************************************************************\n  * Font features used in this theme\n  */\n\n  // base font size - applied at body/html level\n  --pst-font-size-base: 1rem;\n\n  // heading font sizes based on bootstrap sizing\n  --pst-font-size-h1: 2.5rem;\n  --pst-font-size-h2: 2rem;\n  --pst-font-size-h3: 1.75rem;\n  --pst-font-size-h4: 1.5rem;\n  --pst-font-size-h5: 1.25rem;\n  --pst-font-size-h6: 1.1rem;\n\n  // smaller than heading font sizes\n  --pst-font-size-milli: 0.9rem;\n\n  // Sidebar styles\n  --pst-sidebar-font-size: 0.9rem;\n  --pst-sidebar-font-size-mobile: 1.1rem;\n  --pst-sidebar-header-font-size: 1.2rem;\n  --pst-sidebar-header-font-weight: 600;\n\n  // Admonition styles\n  --pst-admonition-font-weight-heading: 600;\n\n  // Font weights\n  --pst-font-weight-caption: 300;\n  --pst-font-weight-heading: 400;\n\n  // Font family\n  // These are adapted from https://systemfontstack.com/ */\n  --pst-font-family-base-system: -apple-system, BlinkMacSystemFont, Segoe UI,\n    \"Helvetica Neue\", Arial, sans-serif, Apple Color Emoji, Segoe UI Emoji,\n    Segoe UI Symbol;\n  --pst-font-family-monospace-system: \"SFMono-Regular\", Menlo, Consolas, Monaco,\n    Liberation Mono, Lucida Console, monospace;\n\n  --pst-font-family-base: var(--pst-font-family-base-system);\n  --pst-font-family-heading: var(--pst-font-family-base-system);\n  --pst-font-family-monospace: var(--pst-font-family-monospace-system);\n}\n","html {\n  /*****************************************************************************\n  * Icon\n  */\n\n  // Font size across all icons\n  --pst-font-size-icon: 1.5rem;\n\n  // Font Awesome default icons\n  --pst-icon-check-circle: \"\\f058\"; // fa-solid fa-circle-check\n  --pst-icon-info-circle: \"\\f05a\"; // fa-solid fa-circle-info\n  --pst-icon-exclamation-triangle: \"\\f071\"; // fa-solid fa-triangle-exclamation\n  --pst-icon-exclamation-circle: \"\\f06a\"; // fa-solid fa-circle-exclamation\n  --pst-icon-times-circle: \"\\f057\"; // fa-solid fa-circle-xmark\n  --pst-icon-lightbulb: \"\\f0eb\"; // fa-solid fa-lightbulb\n  --pst-icon-download: \"\\f019\"; // fa-solid fa-download\n  --pst-icon-angle-left: \"\\f104\"; // fa-solid fa-angle-left\n  --pst-icon-angle-right: \"\\f105\"; // fa-solid fa-angle-right\n  --pst-icon-external-link: \"\\f35d\"; // fa-solid fa-up-right-from-square\n  --pst-icon-search-minus: \"\\f010\"; // fa-solid fa-magnifying-glass-minus\n  --pst-icon-github: \"\\f09b\"; // fa-brands fa-github\n  --pst-icon-gitlab: \"\\f296\"; // fa-brands fa-gitlab\n  --pst-icon-share: \"\\f064\"; // fa-solid fa-share\n  --pst-icon-bell: \"\\f0f3\"; // fa-solid fa-bell\n  --pst-icon-pencil: \"\\f303\"; // fa-solid fa-pencil\n\n  // Bootstrap icons\n  --pst-breadcrumb-divider: \"\\f105\";\n}\n","html {\n  /*****************************************************************************\n  * Admonitions\n  **/\n\n  --pst-icon-admonition-default: var(--pst-icon-bell);\n  --pst-icon-admonition-note: var(--pst-icon-info-circle);\n  --pst-icon-admonition-attention: var(--pst-icon-exclamation-circle);\n  --pst-icon-admonition-caution: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-warning: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-danger: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-error: var(--pst-icon-times-circle);\n  --pst-icon-admonition-hint: var(--pst-icon-lightbulb);\n  --pst-icon-admonition-tip: var(--pst-icon-lightbulb);\n  --pst-icon-admonition-important: var(--pst-icon-exclamation-circle);\n  --pst-icon-admonition-seealso: var(--pst-icon-share);\n  --pst-icon-admonition-todo: var(--pst-icon-pencil);\n}\n","html {\n  /*****************************************************************************\n  * versionmodified\n  **/\n\n  --pst-icon-versionmodified-default: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-added: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-changed: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-deprecated: var(--pst-icon-exclamation-circle);\n}\n","html {\n  font-size: var(--pst-font-size-base);\n  scroll-padding-top: calc(var(--pst-header-height) + 1rem);\n}\n\nbody {\n  background-color: var(--pst-color-background);\n  font-family: var(--pst-font-family-base);\n  font-weight: 400;\n  line-height: 1.65;\n  color: var(--pst-color-text-base);\n  min-height: 100vh;\n  display: flex;\n  flex-direction: column;\n\n  // hack to avoid the black background on some browser including Safari\n  &::-webkit-scrollbar-track {\n    background: var(--pst-color-background);\n  }\n}\n\np {\n  margin-bottom: 1.15rem;\n  font-size: 1em;\n  color: var(--pst-color-text-base);\n\n  /* section header in docstring pages */\n  &.rubric {\n    border-bottom: 1px solid var(--pst-color-border);\n  }\n\n  &.centered {\n    text-align: center;\n  }\n}\n\na {\n  @include link-style-default;\n\n  // The # anchor that appears on hover over headings\n  &.headerlink {\n    color: var(--pst-color-secondary);\n    opacity: 0.7;\n    font-size: 0.8em;\n    padding: 0 4px 0 4px;\n    margin-left: 0.2em;\n    text-decoration: none;\n    transition: all 0.2s ease-out;\n    user-select: none;\n\n    &:hover {\n      opacity: 1;\n    }\n  }\n\n  // set up a icon next to the shorten links from github and gitlab\n  &.github,\n  &.gitlab {\n    &::before {\n      color: var(--pst-color-text-muted);\n      font: var(--fa-font-brands);\n      margin-right: 0.25rem;\n    }\n  }\n\n  &.github::before {\n    content: var(--pst-icon-github);\n  }\n\n  &.gitlab::before {\n    content: var(--pst-icon-gitlab);\n  }\n}\n\n.heading-style {\n  margin: 2.75rem 0 1.05rem;\n  font-family: var(--pst-font-family-heading);\n  font-weight: var(--pst-font-weight-heading);\n  line-height: 1.15;\n}\n\nh1 {\n  @extend .heading-style;\n  margin-top: 0;\n  font-size: var(--pst-font-size-h1);\n  color: var(--pst-heading-color);\n}\n\nh2 {\n  @extend .heading-style;\n  font-size: var(--pst-font-size-h2);\n  color: var(--pst-heading-color);\n}\n\nh3 {\n  @extend .heading-style;\n  font-size: var(--pst-font-size-h3);\n  color: var(--pst-heading-color);\n}\n\nh4 {\n  @extend .heading-style;\n  font-size: var(--pst-font-size-h4);\n  color: var(--pst-heading-color);\n}\n\nh5 {\n  @extend .heading-style;\n  font-size: var(--pst-font-size-h5);\n  color: var(--pst-color-text-base);\n}\n\nh6 {\n  @extend .heading-style;\n  font-size: var(--pst-font-size-h6);\n  color: var(--pst-color-text-base);\n}\n\nsmall,\n.text_small {\n  font-size: var(--pst-font-size-milli);\n}\n\nhr {\n  border: 0;\n  border-top: 1px solid var(--pst-color-border);\n}\n\npre,\ncode,\nkbd,\nsamp {\n  font-family: var(--pst-font-family-monospace);\n}\n\nkbd {\n  // use theme negative\n  background-color: var(--pst-color-on-background);\n  color: var(--pst-color-text-muted);\n\n  // Compound keyboard elements will have nested kbd in them, so this prevents double lines\n  &:not(.compound) {\n    border: 1px solid var(--pst-color-border);\n    margin: 0 0.1rem;\n    padding: 0.1rem 0.4rem;\n    box-shadow: 1px 1px 1px var(--pst-color-shadow);\n  }\n}\n\ncode {\n  color: var(--pst-color-inline-code);\n}\n\npre {\n  margin: 1.5em 0 1.5em 0;\n  padding: 1rem;\n  background-color: var(--pst-color-surface);\n  color: var(--pst-color-text-base);\n  line-height: 1.2em;\n  border: 1px solid var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n\n  .linenos {\n    // minimum opacity to make the line numbers WCAG AA conformant\n    opacity: 0.8;\n    padding-right: 10px;\n  }\n}\n\n// the back to top btn\n#pst-back-to-top {\n  z-index: $zindex-tooltip;\n  position: fixed;\n  display: none;\n  top: 90vh;\n  left: 50vw;\n  transform: translate(-50%);\n  color: var(--pst-color-secondary-text);\n  background-color: var(--pst-color-secondary);\n  border: none;\n}\n","/**\n * Consistent styling for links\n **/\n\n// Define some useful variables for links styling consistency\n//\n//  Thickness of the underline for links\n// the default will be either:\n//  - 1px\n// - 0.0625rem if it's thicker than 1px because the user has changed the text\n//   size in their browser\n$link-underline-thickness: unquote(\"max(1px, .0625rem)\") !default;\n// Offset of link underlines from text baseline\n// The default is 3px expressed as ems, as calculated against the default body\n// font size (on desktop).\n$link-underline-offset: 0.1578em !default;\n// Thickness of link underlines in hover state\n// The default for each link will be the thickest of the following:\n//  - 3px\n//  - 0.1875rem, if it's thicker than 3px because the user has changed the text\n//    size in their browser\n//  - 0.12em (relative to the link's text size)\n$link-hover-decoration-thickness: unquote(\"max(3px, .1875rem, .12em)\") !default;\n\n//  Ensures links have an underline decoration by default - needed to meet\n// WCAG SC 1.4.1\n@mixin link-decoration {\n  text-decoration: underline;\n\n  @if $link-underline-thickness {\n    text-decoration-thickness: $link-underline-thickness;\n  }\n\n  @if $link-underline-offset {\n    text-underline-offset: $link-underline-offset;\n  }\n}\n\n// Ensures links have an underline decoration on hover - distinct from the\n// default behaviour\n@mixin link-decoration-hover {\n  @if $link-hover-decoration-thickness {\n    text-decoration-thickness: $link-hover-decoration-thickness;\n    // Disable ink skipping on underlines on hover. Browsers haven't\n    // standardised on this part of the spec yet, so set both properties\n    text-decoration-skip-ink: none; // Chromium, Firefox\n    text-decoration-skip: none; // Safari\n  }\n}\n\n// Simple hover style - can be used alone or in conjunction with other mixins\n// Add the text underline and change in thickness on hover\n@mixin link-style-hover {\n  &:hover {\n    @include link-decoration;\n    @include link-decoration-hover;\n    color: var(--pst-color-link-hover);\n  }\n}\n\n// Default link styles\n//\n// Defines: default unvisited, visited, hover, and active.\n// TODO: @trallard to improve focus styles in subsequent PR\n@mixin link-style-default {\n  // So that really long links don't spill out of their container\n  word-wrap: break-word;\n\n  color: var(--pst-color-link);\n  @include link-decoration;\n\n  &:hover {\n    color: var(--pst-color-link-hover);\n    @include link-decoration-hover;\n  }\n\n  // TODO: @trallard to add active styles in subsequent PR\n  &:active {\n    color: var(--pst-color-link);\n  }\n\n  // Visited should still be hoverable\n  &:visited {\n    color: var(--pst-color-link);\n    &:hover {\n      color: var(--pst-color-link-hover);\n    }\n  }\n  @include focus-indicator;\n}\n\n// Text link styles\n//\n// Makes links use the muted text colour and removes the underline.\n// Use this mixin for navigation bar links.\n@mixin link-style-text {\n  color: var(--pst-color-text-muted);\n  text-decoration: none;\n\n  &:hover {\n    color: var(--pst-color-link-hover);\n    @include link-decoration;\n    @include link-decoration-hover;\n  }\n  @include focus-indicator;\n}\n\n// Sidebar and TOC links\n//\n// Makes links use the muted text colour and removes the underline.\n// Use this mixin for navigation the primary sidebar and table of contents.\n// Active and hover should work together rather than one overriding the other.\n@mixin link-sidebar {\n  color: var(--pst-color-text-muted);\n  text-decoration: none;\n\n  &:hover {\n    text-decoration: underline;\n    background-color: transparent;\n    color: var(--pst-color-link-hover);\n    @include link-decoration-hover;\n  }\n\n  // TODO: @trallard to update active styles in subsequent PR\n  &:active {\n    color: var(--pst-color-link-hover);\n  }\n}\n\n// Sidebar current page link styles\n//\n// Adds a vertical line on the left hand side of the link to indicate that\n// it's the current page. Note this is distinct from an active state.\n// Used on the primary sidebar and the TOC.\n// We want the side box shadow to have the same thickness as the hover underline\n@mixin link-sidebar-current {\n  font-weight: 600;\n  color: var(--pst-color-primary);\n  @if $link-hover-decoration-thickness {\n    box-shadow: inset\n      $link-hover-decoration-thickness\n      0px\n      0px\n      var(--pst-color-primary);\n  }\n}\n\n// Navigation bar current page link styles\n//\n// Adds a bottom underline, this leaves enough space for the hover state without\n// cluttering the navbar.\n// We want the side box shadow to have the same thickness as the hover underline\n@mixin link-navbar-current {\n  font-weight: 600;\n  color: var(--pst-color-primary);\n  @if $link-hover-decoration-thickness {\n    border-bottom: $link-hover-decoration-thickness\n      solid\n      var(--pst-color-primary);\n  }\n}\n\n// Navigation bar icon links hover styles\n//\n// Adds a bottom box-shadow - since there is no text we cannot use text-decoration\n// We want the side box shadow to have the same thickness as the hover underline\n@mixin icon-navbar-hover {\n  &:hover {\n    color: var(--pst-color-link-hover);\n    @if $link-hover-decoration-thickness {\n      box-shadow: 0px\n        $link-hover-decoration-thickness\n        0px\n        var(--pst-color-link-hover);\n    }\n  }\n}\n\n// Focus indicator\n@mixin focus-indicator {\n  &:focus-visible {\n    outline: 2px solid var(--pst-color-accent);\n  }\n}\n","// Variables\n//\n// Variables should follow the `$component-state-property-size` formula for\n// consistent naming. Ex: $nav-link-disabled-color and $modal-content-box-shadow-xs.\n\n// Color system\n\n// scss-docs-start gray-color-variables\n$white:    #fff !default;\n$gray-100: #f8f9fa !default;\n$gray-200: #e9ecef !default;\n$gray-300: #dee2e6 !default;\n$gray-400: #ced4da !default;\n$gray-500: #adb5bd !default;\n$gray-600: #6c757d !default;\n$gray-700: #495057 !default;\n$gray-800: #343a40 !default;\n$gray-900: #212529 !default;\n$black:    #000 !default;\n// scss-docs-end gray-color-variables\n\n// fusv-disable\n// scss-docs-start gray-colors-map\n$grays: (\n  \"100\": $gray-100,\n  \"200\": $gray-200,\n  \"300\": $gray-300,\n  \"400\": $gray-400,\n  \"500\": $gray-500,\n  \"600\": $gray-600,\n  \"700\": $gray-700,\n  \"800\": $gray-800,\n  \"900\": $gray-900\n) !default;\n// scss-docs-end gray-colors-map\n// fusv-enable\n\n// scss-docs-start color-variables\n$blue:    #0d6efd !default;\n$indigo:  #6610f2 !default;\n$purple:  #6f42c1 !default;\n$pink:    #d63384 !default;\n$red:     #dc3545 !default;\n$orange:  #fd7e14 !default;\n$yellow:  #ffc107 !default;\n$green:   #198754 !default;\n$teal:    #20c997 !default;\n$cyan:    #0dcaf0 !default;\n// scss-docs-end color-variables\n\n// scss-docs-start colors-map\n$colors: (\n  \"blue\":       $blue,\n  \"indigo\":     $indigo,\n  \"purple\":     $purple,\n  \"pink\":       $pink,\n  \"red\":        $red,\n  \"orange\":     $orange,\n  \"yellow\":     $yellow,\n  \"green\":      $green,\n  \"teal\":       $teal,\n  \"cyan\":       $cyan,\n  \"black\":      $black,\n  \"white\":      $white,\n  \"gray\":       $gray-600,\n  \"gray-dark\":  $gray-800\n) !default;\n// scss-docs-end colors-map\n\n// The contrast ratio to reach against white, to determine if color changes from \"light\" to \"dark\". Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n$min-contrast-ratio:   4.5 !default;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$color-contrast-dark:      $black !default;\n$color-contrast-light:     $white !default;\n\n// fusv-disable\n$blue-100: tint-color($blue, 80%) !default;\n$blue-200: tint-color($blue, 60%) !default;\n$blue-300: tint-color($blue, 40%) !default;\n$blue-400: tint-color($blue, 20%) !default;\n$blue-500: $blue !default;\n$blue-600: shade-color($blue, 20%) !default;\n$blue-700: shade-color($blue, 40%) !default;\n$blue-800: shade-color($blue, 60%) !default;\n$blue-900: shade-color($blue, 80%) !default;\n\n$indigo-100: tint-color($indigo, 80%) !default;\n$indigo-200: tint-color($indigo, 60%) !default;\n$indigo-300: tint-color($indigo, 40%) !default;\n$indigo-400: tint-color($indigo, 20%) !default;\n$indigo-500: $indigo !default;\n$indigo-600: shade-color($indigo, 20%) !default;\n$indigo-700: shade-color($indigo, 40%) !default;\n$indigo-800: shade-color($indigo, 60%) !default;\n$indigo-900: shade-color($indigo, 80%) !default;\n\n$purple-100: tint-color($purple, 80%) !default;\n$purple-200: tint-color($purple, 60%) !default;\n$purple-300: tint-color($purple, 40%) !default;\n$purple-400: tint-color($purple, 20%) !default;\n$purple-500: $purple !default;\n$purple-600: shade-color($purple, 20%) !default;\n$purple-700: shade-color($purple, 40%) !default;\n$purple-800: shade-color($purple, 60%) !default;\n$purple-900: shade-color($purple, 80%) !default;\n\n$pink-100: tint-color($pink, 80%) !default;\n$pink-200: tint-color($pink, 60%) !default;\n$pink-300: tint-color($pink, 40%) !default;\n$pink-400: tint-color($pink, 20%) !default;\n$pink-500: $pink !default;\n$pink-600: shade-color($pink, 20%) !default;\n$pink-700: shade-color($pink, 40%) !default;\n$pink-800: shade-color($pink, 60%) !default;\n$pink-900: shade-color($pink, 80%) !default;\n\n$red-100: tint-color($red, 80%) !default;\n$red-200: tint-color($red, 60%) !default;\n$red-300: tint-color($red, 40%) !default;\n$red-400: tint-color($red, 20%) !default;\n$red-500: $red !default;\n$red-600: shade-color($red, 20%) !default;\n$red-700: shade-color($red, 40%) !default;\n$red-800: shade-color($red, 60%) !default;\n$red-900: shade-color($red, 80%) !default;\n\n$orange-100: tint-color($orange, 80%) !default;\n$orange-200: tint-color($orange, 60%) !default;\n$orange-300: tint-color($orange, 40%) !default;\n$orange-400: tint-color($orange, 20%) !default;\n$orange-500: $orange !default;\n$orange-600: shade-color($orange, 20%) !default;\n$orange-700: shade-color($orange, 40%) !default;\n$orange-800: shade-color($orange, 60%) !default;\n$orange-900: shade-color($orange, 80%) !default;\n\n$yellow-100: tint-color($yellow, 80%) !default;\n$yellow-200: tint-color($yellow, 60%) !default;\n$yellow-300: tint-color($yellow, 40%) !default;\n$yellow-400: tint-color($yellow, 20%) !default;\n$yellow-500: $yellow !default;\n$yellow-600: shade-color($yellow, 20%) !default;\n$yellow-700: shade-color($yellow, 40%) !default;\n$yellow-800: shade-color($yellow, 60%) !default;\n$yellow-900: shade-color($yellow, 80%) !default;\n\n$green-100: tint-color($green, 80%) !default;\n$green-200: tint-color($green, 60%) !default;\n$green-300: tint-color($green, 40%) !default;\n$green-400: tint-color($green, 20%) !default;\n$green-500: $green !default;\n$green-600: shade-color($green, 20%) !default;\n$green-700: shade-color($green, 40%) !default;\n$green-800: shade-color($green, 60%) !default;\n$green-900: shade-color($green, 80%) !default;\n\n$teal-100: tint-color($teal, 80%) !default;\n$teal-200: tint-color($teal, 60%) !default;\n$teal-300: tint-color($teal, 40%) !default;\n$teal-400: tint-color($teal, 20%) !default;\n$teal-500: $teal !default;\n$teal-600: shade-color($teal, 20%) !default;\n$teal-700: shade-color($teal, 40%) !default;\n$teal-800: shade-color($teal, 60%) !default;\n$teal-900: shade-color($teal, 80%) !default;\n\n$cyan-100: tint-color($cyan, 80%) !default;\n$cyan-200: tint-color($cyan, 60%) !default;\n$cyan-300: tint-color($cyan, 40%) !default;\n$cyan-400: tint-color($cyan, 20%) !default;\n$cyan-500: $cyan !default;\n$cyan-600: shade-color($cyan, 20%) !default;\n$cyan-700: shade-color($cyan, 40%) !default;\n$cyan-800: shade-color($cyan, 60%) !default;\n$cyan-900: shade-color($cyan, 80%) !default;\n\n$blues: (\n  \"blue-100\": $blue-100,\n  \"blue-200\": $blue-200,\n  \"blue-300\": $blue-300,\n  \"blue-400\": $blue-400,\n  \"blue-500\": $blue-500,\n  \"blue-600\": $blue-600,\n  \"blue-700\": $blue-700,\n  \"blue-800\": $blue-800,\n  \"blue-900\": $blue-900\n) !default;\n\n$indigos: (\n  \"indigo-100\": $indigo-100,\n  \"indigo-200\": $indigo-200,\n  \"indigo-300\": $indigo-300,\n  \"indigo-400\": $indigo-400,\n  \"indigo-500\": $indigo-500,\n  \"indigo-600\": $indigo-600,\n  \"indigo-700\": $indigo-700,\n  \"indigo-800\": $indigo-800,\n  \"indigo-900\": $indigo-900\n) !default;\n\n$purples: (\n  \"purple-100\": $purple-100,\n  \"purple-200\": $purple-200,\n  \"purple-300\": $purple-300,\n  \"purple-400\": $purple-400,\n  \"purple-500\": $purple-500,\n  \"purple-600\": $purple-600,\n  \"purple-700\": $purple-700,\n  \"purple-800\": $purple-800,\n  \"purple-900\": $purple-900\n) !default;\n\n$pinks: (\n  \"pink-100\": $pink-100,\n  \"pink-200\": $pink-200,\n  \"pink-300\": $pink-300,\n  \"pink-400\": $pink-400,\n  \"pink-500\": $pink-500,\n  \"pink-600\": $pink-600,\n  \"pink-700\": $pink-700,\n  \"pink-800\": $pink-800,\n  \"pink-900\": $pink-900\n) !default;\n\n$reds: (\n  \"red-100\": $red-100,\n  \"red-200\": $red-200,\n  \"red-300\": $red-300,\n  \"red-400\": $red-400,\n  \"red-500\": $red-500,\n  \"red-600\": $red-600,\n  \"red-700\": $red-700,\n  \"red-800\": $red-800,\n  \"red-900\": $red-900\n) !default;\n\n$oranges: (\n  \"orange-100\": $orange-100,\n  \"orange-200\": $orange-200,\n  \"orange-300\": $orange-300,\n  \"orange-400\": $orange-400,\n  \"orange-500\": $orange-500,\n  \"orange-600\": $orange-600,\n  \"orange-700\": $orange-700,\n  \"orange-800\": $orange-800,\n  \"orange-900\": $orange-900\n) !default;\n\n$yellows: (\n  \"yellow-100\": $yellow-100,\n  \"yellow-200\": $yellow-200,\n  \"yellow-300\": $yellow-300,\n  \"yellow-400\": $yellow-400,\n  \"yellow-500\": $yellow-500,\n  \"yellow-600\": $yellow-600,\n  \"yellow-700\": $yellow-700,\n  \"yellow-800\": $yellow-800,\n  \"yellow-900\": $yellow-900\n) !default;\n\n$greens: (\n  \"green-100\": $green-100,\n  \"green-200\": $green-200,\n  \"green-300\": $green-300,\n  \"green-400\": $green-400,\n  \"green-500\": $green-500,\n  \"green-600\": $green-600,\n  \"green-700\": $green-700,\n  \"green-800\": $green-800,\n  \"green-900\": $green-900\n) !default;\n\n$teals: (\n  \"teal-100\": $teal-100,\n  \"teal-200\": $teal-200,\n  \"teal-300\": $teal-300,\n  \"teal-400\": $teal-400,\n  \"teal-500\": $teal-500,\n  \"teal-600\": $teal-600,\n  \"teal-700\": $teal-700,\n  \"teal-800\": $teal-800,\n  \"teal-900\": $teal-900\n) !default;\n\n$cyans: (\n  \"cyan-100\": $cyan-100,\n  \"cyan-200\": $cyan-200,\n  \"cyan-300\": $cyan-300,\n  \"cyan-400\": $cyan-400,\n  \"cyan-500\": $cyan-500,\n  \"cyan-600\": $cyan-600,\n  \"cyan-700\": $cyan-700,\n  \"cyan-800\": $cyan-800,\n  \"cyan-900\": $cyan-900\n) !default;\n// fusv-enable\n\n// scss-docs-start theme-color-variables\n$primary:       $blue !default;\n$secondary:     $gray-600 !default;\n$success:       $green !default;\n$info:          $cyan !default;\n$warning:       $yellow !default;\n$danger:        $red !default;\n$light:         $gray-100 !default;\n$dark:          $gray-900 !default;\n// scss-docs-end theme-color-variables\n\n// scss-docs-start theme-colors-map\n$theme-colors: (\n  \"primary\":    $primary,\n  \"secondary\":  $secondary,\n  \"success\":    $success,\n  \"info\":       $info,\n  \"warning\":    $warning,\n  \"danger\":     $danger,\n  \"light\":      $light,\n  \"dark\":       $dark\n) !default;\n// scss-docs-end theme-colors-map\n\n// scss-docs-start theme-text-variables\n$primary-text-emphasis:   shade-color($primary, 60%) !default;\n$secondary-text-emphasis: shade-color($secondary, 60%) !default;\n$success-text-emphasis:   shade-color($success, 60%) !default;\n$info-text-emphasis:      shade-color($info, 60%) !default;\n$warning-text-emphasis:   shade-color($warning, 60%) !default;\n$danger-text-emphasis:    shade-color($danger, 60%) !default;\n$light-text-emphasis:     $gray-700 !default;\n$dark-text-emphasis:      $gray-700 !default;\n// scss-docs-end theme-text-variables\n\n// scss-docs-start theme-bg-subtle-variables\n$primary-bg-subtle:       tint-color($primary, 80%) !default;\n$secondary-bg-subtle:     tint-color($secondary, 80%) !default;\n$success-bg-subtle:       tint-color($success, 80%) !default;\n$info-bg-subtle:          tint-color($info, 80%) !default;\n$warning-bg-subtle:       tint-color($warning, 80%) !default;\n$danger-bg-subtle:        tint-color($danger, 80%) !default;\n$light-bg-subtle:         mix($gray-100, $white) !default;\n$dark-bg-subtle:          $gray-400 !default;\n// scss-docs-end theme-bg-subtle-variables\n\n// scss-docs-start theme-border-subtle-variables\n$primary-border-subtle:   tint-color($primary, 60%) !default;\n$secondary-border-subtle: tint-color($secondary, 60%) !default;\n$success-border-subtle:   tint-color($success, 60%) !default;\n$info-border-subtle:      tint-color($info, 60%) !default;\n$warning-border-subtle:   tint-color($warning, 60%) !default;\n$danger-border-subtle:    tint-color($danger, 60%) !default;\n$light-border-subtle:     $gray-200 !default;\n$dark-border-subtle:      $gray-500 !default;\n// scss-docs-end theme-border-subtle-variables\n\n// Characters which are escaped by the escape-svg function\n$escaped-characters: (\n  (\"<\", \"%3c\"),\n  (\">\", \"%3e\"),\n  (\"#\", \"%23\"),\n  (\"(\", \"%28\"),\n  (\")\", \"%29\"),\n) !default;\n\n// Options\n//\n// Quickly modify global styling by enabling or disabling optional features.\n\n$enable-caret:                true !default;\n$enable-rounded:              true !default;\n$enable-shadows:              false !default;\n$enable-gradients:            false !default;\n$enable-transitions:          true !default;\n$enable-reduced-motion:       true !default;\n$enable-smooth-scroll:        true !default;\n$enable-grid-classes:         true !default;\n$enable-container-classes:    true !default;\n$enable-cssgrid:              false !default;\n$enable-button-pointers:      true !default;\n$enable-rfs:                  true !default;\n$enable-validation-icons:     true !default;\n$enable-negative-margins:     false !default;\n$enable-deprecation-messages: true !default;\n$enable-important-utilities:  true !default;\n\n$enable-dark-mode:            true !default;\n$color-mode-type:             data !default; // `data` or `media-query`\n\n// Prefix for :root CSS variables\n\n$variable-prefix:             bs- !default; // Deprecated in v5.2.0 for the shorter `$prefix`\n$prefix:                      $variable-prefix !default;\n\n// Gradient\n//\n// The gradient which is added to components if `$enable-gradients` is `true`\n// This gradient is also added to elements with `.bg-gradient`\n// scss-docs-start variable-gradient\n$gradient: linear-gradient(180deg, rgba($white, .15), rgba($white, 0)) !default;\n// scss-docs-end variable-gradient\n\n// Spacing\n//\n// Control the default styling of most Bootstrap elements by modifying these\n// variables. Mostly focused on spacing.\n// You can add more entries to the $spacers map, should you need more variation.\n\n// scss-docs-start spacer-variables-maps\n$spacer: 1rem !default;\n$spacers: (\n  0: 0,\n  1: $spacer * .25,\n  2: $spacer * .5,\n  3: $spacer,\n  4: $spacer * 1.5,\n  5: $spacer * 3,\n) !default;\n// scss-docs-end spacer-variables-maps\n\n// Position\n//\n// Define the edge positioning anchors of the position utilities.\n\n// scss-docs-start position-map\n$position-values: (\n  0: 0,\n  50: 50%,\n  100: 100%\n) !default;\n// scss-docs-end position-map\n\n// Body\n//\n// Settings for the `<body>` element.\n\n$body-text-align:           null !default;\n$body-color:                $gray-900 !default;\n$body-bg:                   $white !default;\n\n$body-secondary-color:      rgba($body-color, .75) !default;\n$body-secondary-bg:         $gray-200 !default;\n\n$body-tertiary-color:       rgba($body-color, .5) !default;\n$body-tertiary-bg:          $gray-100 !default;\n\n$body-emphasis-color:       $black !default;\n\n// Links\n//\n// Style anchor elements.\n\n$link-color:                              $primary !default;\n$link-decoration:                         underline !default;\n$link-shade-percentage:                   20% !default;\n$link-hover-color:                        shift-color($link-color, $link-shade-percentage) !default;\n$link-hover-decoration:                   null !default;\n\n$stretched-link-pseudo-element:           after !default;\n$stretched-link-z-index:                  1 !default;\n\n// Icon links\n// scss-docs-start icon-link-variables\n$icon-link-gap:               .375rem !default;\n$icon-link-underline-offset:  .25em !default;\n$icon-link-icon-size:         1em !default;\n$icon-link-icon-transition:   .2s ease-in-out transform !default;\n$icon-link-icon-transform:    translate3d(.25em, 0, 0) !default;\n// scss-docs-end icon-link-variables\n\n// Paragraphs\n//\n// Style p element.\n\n$paragraph-margin-bottom:   1rem !default;\n\n\n// Grid breakpoints\n//\n// Define the minimum dimensions at which your layout will change,\n// adapting to different screen sizes, for use in media queries.\n\n// scss-docs-start grid-breakpoints\n$grid-breakpoints: (\n  xs: 0,\n  sm: 576px,\n  md: 768px,\n  lg: 992px,\n  xl: 1200px,\n  xxl: 1400px\n) !default;\n// scss-docs-end grid-breakpoints\n\n@include _assert-ascending($grid-breakpoints, \"$grid-breakpoints\");\n@include _assert-starts-at-zero($grid-breakpoints, \"$grid-breakpoints\");\n\n\n// Grid containers\n//\n// Define the maximum width of `.container` for different screen sizes.\n\n// scss-docs-start container-max-widths\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1140px,\n  xxl: 1320px\n) !default;\n// scss-docs-end container-max-widths\n\n@include _assert-ascending($container-max-widths, \"$container-max-widths\");\n\n\n// Grid columns\n//\n// Set the number of columns and specify the width of the gutters.\n\n$grid-columns:                12 !default;\n$grid-gutter-width:           1.5rem !default;\n$grid-row-columns:            6 !default;\n\n// Container padding\n\n$container-padding-x: $grid-gutter-width !default;\n\n\n// Components\n//\n// Define common padding and border radius sizes and more.\n\n// scss-docs-start border-variables\n$border-width:                1px !default;\n$border-widths: (\n  1: 1px,\n  2: 2px,\n  3: 3px,\n  4: 4px,\n  5: 5px\n) !default;\n$border-style:                solid !default;\n$border-color:                $gray-300 !default;\n$border-color-translucent:    rgba($black, .175) !default;\n// scss-docs-end border-variables\n\n// scss-docs-start border-radius-variables\n$border-radius:               .375rem !default;\n$border-radius-sm:            .25rem !default;\n$border-radius-lg:            .5rem !default;\n$border-radius-xl:            1rem !default;\n$border-radius-xxl:           2rem !default;\n$border-radius-pill:          50rem !default;\n// scss-docs-end border-radius-variables\n// fusv-disable\n$border-radius-2xl:           $border-radius-xxl !default; // Deprecated in v5.3.0\n// fusv-enable\n\n// scss-docs-start box-shadow-variables\n$box-shadow:                  0 .5rem 1rem rgba($black, .15) !default;\n$box-shadow-sm:               0 .125rem .25rem rgba($black, .075) !default;\n$box-shadow-lg:               0 1rem 3rem rgba($black, .175) !default;\n$box-shadow-inset:            inset 0 1px 2px rgba($black, .075) !default;\n// scss-docs-end box-shadow-variables\n\n$component-active-color:      $white !default;\n$component-active-bg:         $primary !default;\n\n// scss-docs-start focus-ring-variables\n$focus-ring-width:      .25rem !default;\n$focus-ring-opacity:    .25 !default;\n$focus-ring-color:      rgba($primary, $focus-ring-opacity) !default;\n$focus-ring-blur:       0 !default;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color !default;\n// scss-docs-end focus-ring-variables\n\n// scss-docs-start caret-variables\n$caret-width:                 .3em !default;\n$caret-vertical-align:        $caret-width * .85 !default;\n$caret-spacing:               $caret-width * .85 !default;\n// scss-docs-end caret-variables\n\n$transition-base:             all .2s ease-in-out !default;\n$transition-fade:             opacity .15s linear !default;\n// scss-docs-start collapse-transition\n$transition-collapse:         height .35s ease !default;\n$transition-collapse-width:   width .35s ease !default;\n// scss-docs-end collapse-transition\n\n// stylelint-disable function-disallowed-list\n// scss-docs-start aspect-ratios\n$aspect-ratios: (\n  \"1x1\": 100%,\n  \"4x3\": calc(3 / 4 * 100%),\n  \"16x9\": calc(9 / 16 * 100%),\n  \"21x9\": calc(9 / 21 * 100%)\n) !default;\n// scss-docs-end aspect-ratios\n// stylelint-enable function-disallowed-list\n\n// Typography\n//\n// Font, line-height, and color for body text, headings, and more.\n\n// scss-docs-start font-variables\n// stylelint-disable value-keyword-case\n$font-family-sans-serif:      system-ui, -apple-system, \"Segoe UI\", Roboto, \"Helvetica Neue\", \"Noto Sans\", \"Liberation Sans\", Arial, sans-serif, \"Apple Color Emoji\", \"Segoe UI Emoji\", \"Segoe UI Symbol\", \"Noto Color Emoji\" !default;\n$font-family-monospace:       SFMono-Regular, Menlo, Monaco, Consolas, \"Liberation Mono\", \"Courier New\", monospace !default;\n// stylelint-enable value-keyword-case\n$font-family-base:            var(--#{$prefix}font-sans-serif) !default;\n$font-family-code:            var(--#{$prefix}font-monospace) !default;\n\n// $font-size-root affects the value of `rem`, which is used for as well font sizes, paddings, and margins\n// $font-size-base affects the font size of the body text\n$font-size-root:              null !default;\n$font-size-base:              1rem !default; // Assumes the browser default, typically `16px`\n$font-size-sm:                $font-size-base * .875 !default;\n$font-size-lg:                $font-size-base * 1.25 !default;\n\n$font-weight-lighter:         lighter !default;\n$font-weight-light:           300 !default;\n$font-weight-normal:          400 !default;\n$font-weight-medium:          500 !default;\n$font-weight-semibold:        600 !default;\n$font-weight-bold:            700 !default;\n$font-weight-bolder:          bolder !default;\n\n$font-weight-base:            $font-weight-normal !default;\n\n$line-height-base:            1.5 !default;\n$line-height-sm:              1.25 !default;\n$line-height-lg:              2 !default;\n\n$h1-font-size:                $font-size-base * 2.5 !default;\n$h2-font-size:                $font-size-base * 2 !default;\n$h3-font-size:                $font-size-base * 1.75 !default;\n$h4-font-size:                $font-size-base * 1.5 !default;\n$h5-font-size:                $font-size-base * 1.25 !default;\n$h6-font-size:                $font-size-base !default;\n// scss-docs-end font-variables\n\n// scss-docs-start font-sizes\n$font-sizes: (\n  1: $h1-font-size,\n  2: $h2-font-size,\n  3: $h3-font-size,\n  4: $h4-font-size,\n  5: $h5-font-size,\n  6: $h6-font-size\n) !default;\n// scss-docs-end font-sizes\n\n// scss-docs-start headings-variables\n$headings-margin-bottom:      $spacer * .5 !default;\n$headings-font-family:        null !default;\n$headings-font-style:         null !default;\n$headings-font-weight:        500 !default;\n$headings-line-height:        1.2 !default;\n$headings-color:              inherit !default;\n// scss-docs-end headings-variables\n\n// scss-docs-start display-headings\n$display-font-sizes: (\n  1: 5rem,\n  2: 4.5rem,\n  3: 4rem,\n  4: 3.5rem,\n  5: 3rem,\n  6: 2.5rem\n) !default;\n\n$display-font-family: null !default;\n$display-font-style:  null !default;\n$display-font-weight: 300 !default;\n$display-line-height: $headings-line-height !default;\n// scss-docs-end display-headings\n\n// scss-docs-start type-variables\n$lead-font-size:              $font-size-base * 1.25 !default;\n$lead-font-weight:            300 !default;\n\n$small-font-size:             .875em !default;\n\n$sub-sup-font-size:           .75em !default;\n\n// fusv-disable\n$text-muted:                  var(--#{$prefix}secondary-color) !default; // Deprecated in 5.3.0\n// fusv-enable\n\n$initialism-font-size:        $small-font-size !default;\n\n$blockquote-margin-y:         $spacer !default;\n$blockquote-font-size:        $font-size-base * 1.25 !default;\n$blockquote-footer-color:     $gray-600 !default;\n$blockquote-footer-font-size: $small-font-size !default;\n\n$hr-margin-y:                 $spacer !default;\n$hr-color:                    inherit !default;\n\n// fusv-disable\n$hr-bg-color:                 null !default; // Deprecated in v5.2.0\n$hr-height:                   null !default; // Deprecated in v5.2.0\n// fusv-enable\n\n$hr-border-color:             null !default; // Allows for inherited colors\n$hr-border-width:             var(--#{$prefix}border-width) !default;\n$hr-opacity:                  .25 !default;\n\n// scss-docs-start vr-variables\n$vr-border-width:             var(--#{$prefix}border-width) !default;\n// scss-docs-end vr-variables\n\n$legend-margin-bottom:        .5rem !default;\n$legend-font-size:            1.5rem !default;\n$legend-font-weight:          null !default;\n\n$dt-font-weight:              $font-weight-bold !default;\n\n$list-inline-padding:         .5rem !default;\n\n$mark-padding:                .1875em !default;\n$mark-color:                  $body-color !default;\n$mark-bg:                     $yellow-100 !default;\n// scss-docs-end type-variables\n\n\n// Tables\n//\n// Customizes the `.table` component with basic values, each used across all table variations.\n\n// scss-docs-start table-variables\n$table-cell-padding-y:        .5rem !default;\n$table-cell-padding-x:        .5rem !default;\n$table-cell-padding-y-sm:     .25rem !default;\n$table-cell-padding-x-sm:     .25rem !default;\n\n$table-cell-vertical-align:   top !default;\n\n$table-color:                 var(--#{$prefix}emphasis-color) !default;\n$table-bg:                    var(--#{$prefix}body-bg) !default;\n$table-accent-bg:             transparent !default;\n\n$table-th-font-weight:        null !default;\n\n$table-striped-color:         $table-color !default;\n$table-striped-bg-factor:     .05 !default;\n$table-striped-bg:            rgba(var(--#{$prefix}emphasis-color-rgb), $table-striped-bg-factor) !default;\n\n$table-active-color:          $table-color !default;\n$table-active-bg-factor:      .1 !default;\n$table-active-bg:             rgba(var(--#{$prefix}emphasis-color-rgb), $table-active-bg-factor) !default;\n\n$table-hover-color:           $table-color !default;\n$table-hover-bg-factor:       .075 !default;\n$table-hover-bg:              rgba(var(--#{$prefix}emphasis-color-rgb), $table-hover-bg-factor) !default;\n\n$table-border-factor:         .2 !default;\n$table-border-width:          var(--#{$prefix}border-width) !default;\n$table-border-color:          var(--#{$prefix}border-color) !default;\n\n$table-striped-order:         odd !default;\n$table-striped-columns-order: even !default;\n\n$table-group-separator-color: currentcolor !default;\n\n$table-caption-color:         var(--#{$prefix}secondary-color) !default;\n\n$table-bg-scale:              -80% !default;\n// scss-docs-end table-variables\n\n// scss-docs-start table-loop\n$table-variants: (\n  \"primary\":    shift-color($primary, $table-bg-scale),\n  \"secondary\":  shift-color($secondary, $table-bg-scale),\n  \"success\":    shift-color($success, $table-bg-scale),\n  \"info\":       shift-color($info, $table-bg-scale),\n  \"warning\":    shift-color($warning, $table-bg-scale),\n  \"danger\":     shift-color($danger, $table-bg-scale),\n  \"light\":      $light,\n  \"dark\":       $dark,\n) !default;\n// scss-docs-end table-loop\n\n\n// Buttons + Forms\n//\n// Shared variables that are reassigned to `$input-` and `$btn-` specific variables.\n\n// scss-docs-start input-btn-variables\n$input-btn-padding-y:         .375rem !default;\n$input-btn-padding-x:         .75rem !default;\n$input-btn-font-family:       null !default;\n$input-btn-font-size:         $font-size-base !default;\n$input-btn-line-height:       $line-height-base !default;\n\n$input-btn-focus-width:         $focus-ring-width !default;\n$input-btn-focus-color-opacity: $focus-ring-opacity !default;\n$input-btn-focus-color:         $focus-ring-color !default;\n$input-btn-focus-blur:          $focus-ring-blur !default;\n$input-btn-focus-box-shadow:    $focus-ring-box-shadow !default;\n\n$input-btn-padding-y-sm:      .25rem !default;\n$input-btn-padding-x-sm:      .5rem !default;\n$input-btn-font-size-sm:      $font-size-sm !default;\n\n$input-btn-padding-y-lg:      .5rem !default;\n$input-btn-padding-x-lg:      1rem !default;\n$input-btn-font-size-lg:      $font-size-lg !default;\n\n$input-btn-border-width:      var(--#{$prefix}border-width) !default;\n// scss-docs-end input-btn-variables\n\n\n// Buttons\n//\n// For each of Bootstrap's buttons, define text, background, and border color.\n\n// scss-docs-start btn-variables\n$btn-color:                   var(--#{$prefix}body-color) !default;\n$btn-padding-y:               $input-btn-padding-y !default;\n$btn-padding-x:               $input-btn-padding-x !default;\n$btn-font-family:             $input-btn-font-family !default;\n$btn-font-size:               $input-btn-font-size !default;\n$btn-line-height:             $input-btn-line-height !default;\n$btn-white-space:             null !default; // Set to `nowrap` to prevent text wrapping\n\n$btn-padding-y-sm:            $input-btn-padding-y-sm !default;\n$btn-padding-x-sm:            $input-btn-padding-x-sm !default;\n$btn-font-size-sm:            $input-btn-font-size-sm !default;\n\n$btn-padding-y-lg:            $input-btn-padding-y-lg !default;\n$btn-padding-x-lg:            $input-btn-padding-x-lg !default;\n$btn-font-size-lg:            $input-btn-font-size-lg !default;\n\n$btn-border-width:            $input-btn-border-width !default;\n\n$btn-font-weight:             $font-weight-normal !default;\n$btn-box-shadow:              inset 0 1px 0 rgba($white, .15), 0 1px 1px rgba($black, .075) !default;\n$btn-focus-width:             $input-btn-focus-width !default;\n$btn-focus-box-shadow:        $input-btn-focus-box-shadow !default;\n$btn-disabled-opacity:        .65 !default;\n$btn-active-box-shadow:       inset 0 3px 5px rgba($black, .125) !default;\n\n$btn-link-color:              var(--#{$prefix}link-color) !default;\n$btn-link-hover-color:        var(--#{$prefix}link-hover-color) !default;\n$btn-link-disabled-color:     $gray-600 !default;\n$btn-link-focus-shadow-rgb:   to-rgb(mix(color-contrast($link-color), $link-color, 15%)) !default;\n\n// Allows for customizing button radius independently from global border radius\n$btn-border-radius:           var(--#{$prefix}border-radius) !default;\n$btn-border-radius-sm:        var(--#{$prefix}border-radius-sm) !default;\n$btn-border-radius-lg:        var(--#{$prefix}border-radius-lg) !default;\n\n$btn-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$btn-hover-bg-shade-amount:       15% !default;\n$btn-hover-bg-tint-amount:        15% !default;\n$btn-hover-border-shade-amount:   20% !default;\n$btn-hover-border-tint-amount:    10% !default;\n$btn-active-bg-shade-amount:      20% !default;\n$btn-active-bg-tint-amount:       20% !default;\n$btn-active-border-shade-amount:  25% !default;\n$btn-active-border-tint-amount:   10% !default;\n// scss-docs-end btn-variables\n\n\n// Forms\n\n// scss-docs-start form-text-variables\n$form-text-margin-top:                  .25rem !default;\n$form-text-font-size:                   $small-font-size !default;\n$form-text-font-style:                  null !default;\n$form-text-font-weight:                 null !default;\n$form-text-color:                       var(--#{$prefix}secondary-color) !default;\n// scss-docs-end form-text-variables\n\n// scss-docs-start form-label-variables\n$form-label-margin-bottom:              .5rem !default;\n$form-label-font-size:                  null !default;\n$form-label-font-style:                 null !default;\n$form-label-font-weight:                null !default;\n$form-label-color:                      null !default;\n// scss-docs-end form-label-variables\n\n// scss-docs-start form-input-variables\n$input-padding-y:                       $input-btn-padding-y !default;\n$input-padding-x:                       $input-btn-padding-x !default;\n$input-font-family:                     $input-btn-font-family !default;\n$input-font-size:                       $input-btn-font-size !default;\n$input-font-weight:                     $font-weight-base !default;\n$input-line-height:                     $input-btn-line-height !default;\n\n$input-padding-y-sm:                    $input-btn-padding-y-sm !default;\n$input-padding-x-sm:                    $input-btn-padding-x-sm !default;\n$input-font-size-sm:                    $input-btn-font-size-sm !default;\n\n$input-padding-y-lg:                    $input-btn-padding-y-lg !default;\n$input-padding-x-lg:                    $input-btn-padding-x-lg !default;\n$input-font-size-lg:                    $input-btn-font-size-lg !default;\n\n$input-bg:                              var(--#{$prefix}body-bg) !default;\n$input-disabled-color:                  null !default;\n$input-disabled-bg:                     var(--#{$prefix}secondary-bg) !default;\n$input-disabled-border-color:           null !default;\n\n$input-color:                           var(--#{$prefix}body-color) !default;\n$input-border-color:                    var(--#{$prefix}border-color) !default;\n$input-border-width:                    $input-btn-border-width !default;\n$input-box-shadow:                      var(--#{$prefix}box-shadow-inset) !default;\n\n$input-border-radius:                   var(--#{$prefix}border-radius) !default;\n$input-border-radius-sm:                var(--#{$prefix}border-radius-sm) !default;\n$input-border-radius-lg:                var(--#{$prefix}border-radius-lg) !default;\n\n$input-focus-bg:                        $input-bg !default;\n$input-focus-border-color:              tint-color($component-active-bg, 50%) !default;\n$input-focus-color:                     $input-color !default;\n$input-focus-width:                     $input-btn-focus-width !default;\n$input-focus-box-shadow:                $input-btn-focus-box-shadow !default;\n\n$input-placeholder-color:               var(--#{$prefix}secondary-color) !default;\n$input-plaintext-color:                 var(--#{$prefix}body-color) !default;\n\n$input-height-border:                   calc(#{$input-border-width} * 2) !default; // stylelint-disable-line function-disallowed-list\n\n$input-height-inner:                    add($input-line-height * 1em, $input-padding-y * 2) !default;\n$input-height-inner-half:               add($input-line-height * .5em, $input-padding-y) !default;\n$input-height-inner-quarter:            add($input-line-height * .25em, $input-padding-y * .5) !default;\n\n$input-height:                          add($input-line-height * 1em, add($input-padding-y * 2, $input-height-border, false)) !default;\n$input-height-sm:                       add($input-line-height * 1em, add($input-padding-y-sm * 2, $input-height-border, false)) !default;\n$input-height-lg:                       add($input-line-height * 1em, add($input-padding-y-lg * 2, $input-height-border, false)) !default;\n\n$input-transition:                      border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$form-color-width:                      3rem !default;\n// scss-docs-end form-input-variables\n\n// scss-docs-start form-check-variables\n$form-check-input-width:                  1em !default;\n$form-check-min-height:                   $font-size-base * $line-height-base !default;\n$form-check-padding-start:                $form-check-input-width + .5em !default;\n$form-check-margin-bottom:                .125rem !default;\n$form-check-label-color:                  null !default;\n$form-check-label-cursor:                 null !default;\n$form-check-transition:                   null !default;\n\n$form-check-input-active-filter:          brightness(90%) !default;\n\n$form-check-input-bg:                     $input-bg !default;\n$form-check-input-border:                 var(--#{$prefix}border-width) solid var(--#{$prefix}border-color) !default;\n$form-check-input-border-radius:          .25em !default;\n$form-check-radio-border-radius:          50% !default;\n$form-check-input-focus-border:           $input-focus-border-color !default;\n$form-check-input-focus-box-shadow:       $focus-ring-box-shadow !default;\n\n$form-check-input-checked-color:          $component-active-color !default;\n$form-check-input-checked-bg-color:       $component-active-bg !default;\n$form-check-input-checked-border-color:   $form-check-input-checked-bg-color !default;\n$form-check-input-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-checked-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='m6 10 3 3 6-6'/></svg>\") !default;\n$form-check-radio-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='2' fill='#{$form-check-input-checked-color}'/></svg>\") !default;\n\n$form-check-input-indeterminate-color:          $component-active-color !default;\n$form-check-input-indeterminate-bg-color:       $component-active-bg !default;\n$form-check-input-indeterminate-border-color:   $form-check-input-indeterminate-bg-color !default;\n$form-check-input-indeterminate-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-indeterminate-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='M6 10h8'/></svg>\") !default;\n\n$form-check-input-disabled-opacity:        .5 !default;\n$form-check-label-disabled-opacity:        $form-check-input-disabled-opacity !default;\n$form-check-btn-check-disabled-opacity:    $btn-disabled-opacity !default;\n\n$form-check-inline-margin-end:    1rem !default;\n// scss-docs-end form-check-variables\n\n// scss-docs-start form-switch-variables\n$form-switch-color:               rgba($black, .25) !default;\n$form-switch-width:               2em !default;\n$form-switch-padding-start:       $form-switch-width + .5em !default;\n$form-switch-bg-image:            url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-color}'/></svg>\") !default;\n$form-switch-border-radius:       $form-switch-width !default;\n$form-switch-transition:          background-position .15s ease-in-out !default;\n\n$form-switch-focus-color:         $input-focus-border-color !default;\n$form-switch-focus-bg-image:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-focus-color}'/></svg>\") !default;\n\n$form-switch-checked-color:       $component-active-color !default;\n$form-switch-checked-bg-image:    url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-checked-color}'/></svg>\") !default;\n$form-switch-checked-bg-position: right center !default;\n// scss-docs-end form-switch-variables\n\n// scss-docs-start input-group-variables\n$input-group-addon-padding-y:           $input-padding-y !default;\n$input-group-addon-padding-x:           $input-padding-x !default;\n$input-group-addon-font-weight:         $input-font-weight !default;\n$input-group-addon-color:               $input-color !default;\n$input-group-addon-bg:                  var(--#{$prefix}tertiary-bg) !default;\n$input-group-addon-border-color:        $input-border-color !default;\n// scss-docs-end input-group-variables\n\n// scss-docs-start form-select-variables\n$form-select-padding-y:             $input-padding-y !default;\n$form-select-padding-x:             $input-padding-x !default;\n$form-select-font-family:           $input-font-family !default;\n$form-select-font-size:             $input-font-size !default;\n$form-select-indicator-padding:     $form-select-padding-x * 3 !default; // Extra padding for background-image\n$form-select-font-weight:           $input-font-weight !default;\n$form-select-line-height:           $input-line-height !default;\n$form-select-color:                 $input-color !default;\n$form-select-bg:                    $input-bg !default;\n$form-select-disabled-color:        null !default;\n$form-select-disabled-bg:           $input-disabled-bg !default;\n$form-select-disabled-border-color: $input-disabled-border-color !default;\n$form-select-bg-position:           right $form-select-padding-x center !default;\n$form-select-bg-size:               16px 12px !default; // In pixels because image dimensions\n$form-select-indicator-color:       $gray-800 !default;\n$form-select-indicator:             url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'><path fill='none' stroke='#{$form-select-indicator-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='2' d='m2 5 6 6 6-6'/></svg>\") !default;\n\n$form-select-feedback-icon-padding-end: $form-select-padding-x * 2.5 + $form-select-indicator-padding !default;\n$form-select-feedback-icon-position:    center right $form-select-indicator-padding !default;\n$form-select-feedback-icon-size:        $input-height-inner-half $input-height-inner-half !default;\n\n$form-select-border-width:        $input-border-width !default;\n$form-select-border-color:        $input-border-color !default;\n$form-select-border-radius:       $input-border-radius !default;\n$form-select-box-shadow:          var(--#{$prefix}box-shadow-inset) !default;\n\n$form-select-focus-border-color:  $input-focus-border-color !default;\n$form-select-focus-width:         $input-focus-width !default;\n$form-select-focus-box-shadow:    0 0 0 $form-select-focus-width $input-btn-focus-color !default;\n\n$form-select-padding-y-sm:        $input-padding-y-sm !default;\n$form-select-padding-x-sm:        $input-padding-x-sm !default;\n$form-select-font-size-sm:        $input-font-size-sm !default;\n$form-select-border-radius-sm:    $input-border-radius-sm !default;\n\n$form-select-padding-y-lg:        $input-padding-y-lg !default;\n$form-select-padding-x-lg:        $input-padding-x-lg !default;\n$form-select-font-size-lg:        $input-font-size-lg !default;\n$form-select-border-radius-lg:    $input-border-radius-lg !default;\n\n$form-select-transition:          $input-transition !default;\n// scss-docs-end form-select-variables\n\n// scss-docs-start form-range-variables\n$form-range-track-width:          100% !default;\n$form-range-track-height:         .5rem !default;\n$form-range-track-cursor:         pointer !default;\n$form-range-track-bg:             var(--#{$prefix}secondary-bg) !default;\n$form-range-track-border-radius:  1rem !default;\n$form-range-track-box-shadow:     var(--#{$prefix}box-shadow-inset) !default;\n\n$form-range-thumb-width:                   1rem !default;\n$form-range-thumb-height:                  $form-range-thumb-width !default;\n$form-range-thumb-bg:                      $component-active-bg !default;\n$form-range-thumb-border:                  0 !default;\n$form-range-thumb-border-radius:           1rem !default;\n$form-range-thumb-box-shadow:              0 .1rem .25rem rgba($black, .1) !default;\n$form-range-thumb-focus-box-shadow:        0 0 0 1px $body-bg, $input-focus-box-shadow !default;\n$form-range-thumb-focus-box-shadow-width:  $input-focus-width !default; // For focus box shadow issue in Edge\n$form-range-thumb-active-bg:               tint-color($component-active-bg, 70%) !default;\n$form-range-thumb-disabled-bg:             var(--#{$prefix}secondary-color) !default;\n$form-range-thumb-transition:              background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n// scss-docs-end form-range-variables\n\n// scss-docs-start form-file-variables\n$form-file-button-color:          $input-color !default;\n$form-file-button-bg:             var(--#{$prefix}tertiary-bg) !default;\n$form-file-button-hover-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end form-file-variables\n\n// scss-docs-start form-floating-variables\n$form-floating-height:                  add(3.5rem, $input-height-border) !default;\n$form-floating-line-height:             1.25 !default;\n$form-floating-padding-x:               $input-padding-x !default;\n$form-floating-padding-y:               1rem !default;\n$form-floating-input-padding-t:         1.625rem !default;\n$form-floating-input-padding-b:         .625rem !default;\n$form-floating-label-height:            1.5em !default;\n$form-floating-label-opacity:           .65 !default;\n$form-floating-label-transform:         scale(.85) translateY(-.5rem) translateX(.15rem) !default;\n$form-floating-label-disabled-color:    $gray-600 !default;\n$form-floating-transition:              opacity .1s ease-in-out, transform .1s ease-in-out !default;\n// scss-docs-end form-floating-variables\n\n// Form validation\n\n// scss-docs-start form-feedback-variables\n$form-feedback-margin-top:          $form-text-margin-top !default;\n$form-feedback-font-size:           $form-text-font-size !default;\n$form-feedback-font-style:          $form-text-font-style !default;\n$form-feedback-valid-color:         $success !default;\n$form-feedback-invalid-color:       $danger !default;\n\n$form-feedback-icon-valid-color:    $form-feedback-valid-color !default;\n$form-feedback-icon-valid:          url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 8 8'><path fill='#{$form-feedback-icon-valid-color}' d='M2.3 6.73.6 4.53c-.4-1.04.46-1.4 1.1-.8l1.1 1.4 3.4-3.8c.6-.63 1.6-.27 1.2.7l-4 4.6c-.43.5-.8.4-1.1.1z'/></svg>\") !default;\n$form-feedback-icon-invalid-color:  $form-feedback-invalid-color !default;\n$form-feedback-icon-invalid:        url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 12 12' width='12' height='12' fill='none' stroke='#{$form-feedback-icon-invalid-color}'><circle cx='6' cy='6' r='4.5'/><path stroke-linejoin='round' d='M5.8 3.6h.4L6 6.5z'/><circle cx='6' cy='8.2' r='.6' fill='#{$form-feedback-icon-invalid-color}' stroke='none'/></svg>\") !default;\n// scss-docs-end form-feedback-variables\n\n// scss-docs-start form-validation-colors\n$form-valid-color:                  $form-feedback-valid-color !default;\n$form-valid-border-color:           $form-feedback-valid-color !default;\n$form-invalid-color:                $form-feedback-invalid-color !default;\n$form-invalid-border-color:         $form-feedback-invalid-color !default;\n// scss-docs-end form-validation-colors\n\n// scss-docs-start form-validation-states\n$form-validation-states: (\n  \"valid\": (\n    \"color\": var(--#{$prefix}form-valid-color),\n    \"icon\": $form-feedback-icon-valid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}success),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}success-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-valid-border-color),\n  ),\n  \"invalid\": (\n    \"color\": var(--#{$prefix}form-invalid-color),\n    \"icon\": $form-feedback-icon-invalid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}danger),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}danger-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-invalid-border-color),\n  )\n) !default;\n// scss-docs-end form-validation-states\n\n// Z-index master list\n//\n// Warning: Avoid customizing these values. They're used for a bird's eye view\n// of components dependent on the z-axis and are designed to all work together.\n\n// scss-docs-start zindex-stack\n$zindex-dropdown:                   1000 !default;\n$zindex-sticky:                     1020 !default;\n$zindex-fixed:                      1030 !default;\n$zindex-offcanvas-backdrop:         1040 !default;\n$zindex-offcanvas:                  1045 !default;\n$zindex-modal-backdrop:             1050 !default;\n$zindex-modal:                      1055 !default;\n$zindex-popover:                    1070 !default;\n$zindex-tooltip:                    1080 !default;\n$zindex-toast:                      1090 !default;\n// scss-docs-end zindex-stack\n\n// scss-docs-start zindex-levels-map\n$zindex-levels: (\n  n1: -1,\n  0: 0,\n  1: 1,\n  2: 2,\n  3: 3\n) !default;\n// scss-docs-end zindex-levels-map\n\n\n// Navs\n\n// scss-docs-start nav-variables\n$nav-link-padding-y:                .5rem !default;\n$nav-link-padding-x:                1rem !default;\n$nav-link-font-size:                null !default;\n$nav-link-font-weight:              null !default;\n$nav-link-color:                    var(--#{$prefix}link-color) !default;\n$nav-link-hover-color:              var(--#{$prefix}link-hover-color) !default;\n$nav-link-transition:               color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out !default;\n$nav-link-disabled-color:           var(--#{$prefix}secondary-color) !default;\n$nav-link-focus-box-shadow:         $focus-ring-box-shadow !default;\n\n$nav-tabs-border-color:             var(--#{$prefix}border-color) !default;\n$nav-tabs-border-width:             var(--#{$prefix}border-width) !default;\n$nav-tabs-border-radius:            var(--#{$prefix}border-radius) !default;\n$nav-tabs-link-hover-border-color:  var(--#{$prefix}secondary-bg) var(--#{$prefix}secondary-bg) $nav-tabs-border-color !default;\n$nav-tabs-link-active-color:        var(--#{$prefix}emphasis-color) !default;\n$nav-tabs-link-active-bg:           var(--#{$prefix}body-bg) !default;\n$nav-tabs-link-active-border-color: var(--#{$prefix}border-color) var(--#{$prefix}border-color) $nav-tabs-link-active-bg !default;\n\n$nav-pills-border-radius:           var(--#{$prefix}border-radius) !default;\n$nav-pills-link-active-color:       $component-active-color !default;\n$nav-pills-link-active-bg:          $component-active-bg !default;\n\n$nav-underline-gap:                 1rem !default;\n$nav-underline-border-width:        .125rem !default;\n$nav-underline-link-active-color:   var(--#{$prefix}emphasis-color) !default;\n// scss-docs-end nav-variables\n\n\n// Navbar\n\n// scss-docs-start navbar-variables\n$navbar-padding-y:                  $spacer * .5 !default;\n$navbar-padding-x:                  null !default;\n\n$navbar-nav-link-padding-x:         .5rem !default;\n\n$navbar-brand-font-size:            $font-size-lg !default;\n// Compute the navbar-brand padding-y so the navbar-brand will have the same height as navbar-text and nav-link\n$nav-link-height:                   $font-size-base * $line-height-base + $nav-link-padding-y * 2 !default;\n$navbar-brand-height:               $navbar-brand-font-size * $line-height-base !default;\n$navbar-brand-padding-y:            ($nav-link-height - $navbar-brand-height) * .5 !default;\n$navbar-brand-margin-end:           1rem !default;\n\n$navbar-toggler-padding-y:          .25rem !default;\n$navbar-toggler-padding-x:          .75rem !default;\n$navbar-toggler-font-size:          $font-size-lg !default;\n$navbar-toggler-border-radius:      $btn-border-radius !default;\n$navbar-toggler-focus-width:        $btn-focus-width !default;\n$navbar-toggler-transition:         box-shadow .15s ease-in-out !default;\n\n$navbar-light-color:                rgba(var(--#{$prefix}emphasis-color-rgb), .65) !default;\n$navbar-light-hover-color:          rgba(var(--#{$prefix}emphasis-color-rgb), .8) !default;\n$navbar-light-active-color:         rgba(var(--#{$prefix}emphasis-color-rgb), 1) !default;\n$navbar-light-disabled-color:       rgba(var(--#{$prefix}emphasis-color-rgb), .3) !default;\n$navbar-light-icon-color:           rgba($body-color, .75) !default;\n$navbar-light-toggler-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-light-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-light-toggler-border-color: rgba(var(--#{$prefix}emphasis-color-rgb), .15) !default;\n$navbar-light-brand-color:          $navbar-light-active-color !default;\n$navbar-light-brand-hover-color:    $navbar-light-active-color !default;\n// scss-docs-end navbar-variables\n\n// scss-docs-start navbar-dark-variables\n$navbar-dark-color:                 rgba($white, .55) !default;\n$navbar-dark-hover-color:           rgba($white, .75) !default;\n$navbar-dark-active-color:          $white !default;\n$navbar-dark-disabled-color:        rgba($white, .25) !default;\n$navbar-dark-icon-color:            $navbar-dark-color !default;\n$navbar-dark-toggler-icon-bg:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-dark-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-dark-toggler-border-color:  rgba($white, .1) !default;\n$navbar-dark-brand-color:           $navbar-dark-active-color !default;\n$navbar-dark-brand-hover-color:     $navbar-dark-active-color !default;\n// scss-docs-end navbar-dark-variables\n\n\n// Dropdowns\n//\n// Dropdown menu container and contents.\n\n// scss-docs-start dropdown-variables\n$dropdown-min-width:                10rem !default;\n$dropdown-padding-x:                0 !default;\n$dropdown-padding-y:                .5rem !default;\n$dropdown-spacer:                   .125rem !default;\n$dropdown-font-size:                $font-size-base !default;\n$dropdown-color:                    var(--#{$prefix}body-color) !default;\n$dropdown-bg:                       var(--#{$prefix}body-bg) !default;\n$dropdown-border-color:             var(--#{$prefix}border-color-translucent) !default;\n$dropdown-border-radius:            var(--#{$prefix}border-radius) !default;\n$dropdown-border-width:             var(--#{$prefix}border-width) !default;\n$dropdown-inner-border-radius:      calc(#{$dropdown-border-radius} - #{$dropdown-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$dropdown-divider-bg:               $dropdown-border-color !default;\n$dropdown-divider-margin-y:         $spacer * .5 !default;\n$dropdown-box-shadow:               var(--#{$prefix}box-shadow) !default;\n\n$dropdown-link-color:               var(--#{$prefix}body-color) !default;\n$dropdown-link-hover-color:         $dropdown-link-color !default;\n$dropdown-link-hover-bg:            var(--#{$prefix}tertiary-bg) !default;\n\n$dropdown-link-active-color:        $component-active-color !default;\n$dropdown-link-active-bg:           $component-active-bg !default;\n\n$dropdown-link-disabled-color:      var(--#{$prefix}tertiary-color) !default;\n\n$dropdown-item-padding-y:           $spacer * .25 !default;\n$dropdown-item-padding-x:           $spacer !default;\n\n$dropdown-header-color:             $gray-600 !default;\n$dropdown-header-padding-x:         $dropdown-item-padding-x !default;\n$dropdown-header-padding-y:         $dropdown-padding-y !default;\n// fusv-disable\n$dropdown-header-padding:           $dropdown-header-padding-y $dropdown-header-padding-x !default; // Deprecated in v5.2.0\n// fusv-enable\n// scss-docs-end dropdown-variables\n\n// scss-docs-start dropdown-dark-variables\n$dropdown-dark-color:               $gray-300 !default;\n$dropdown-dark-bg:                  $gray-800 !default;\n$dropdown-dark-border-color:        $dropdown-border-color !default;\n$dropdown-dark-divider-bg:          $dropdown-divider-bg !default;\n$dropdown-dark-box-shadow:          null !default;\n$dropdown-dark-link-color:          $dropdown-dark-color !default;\n$dropdown-dark-link-hover-color:    $white !default;\n$dropdown-dark-link-hover-bg:       rgba($white, .15) !default;\n$dropdown-dark-link-active-color:   $dropdown-link-active-color !default;\n$dropdown-dark-link-active-bg:      $dropdown-link-active-bg !default;\n$dropdown-dark-link-disabled-color: $gray-500 !default;\n$dropdown-dark-header-color:        $gray-500 !default;\n// scss-docs-end dropdown-dark-variables\n\n\n// Pagination\n\n// scss-docs-start pagination-variables\n$pagination-padding-y:              .375rem !default;\n$pagination-padding-x:              .75rem !default;\n$pagination-padding-y-sm:           .25rem !default;\n$pagination-padding-x-sm:           .5rem !default;\n$pagination-padding-y-lg:           .75rem !default;\n$pagination-padding-x-lg:           1.5rem !default;\n\n$pagination-font-size:              $font-size-base !default;\n\n$pagination-color:                  var(--#{$prefix}link-color) !default;\n$pagination-bg:                     var(--#{$prefix}body-bg) !default;\n$pagination-border-radius:          var(--#{$prefix}border-radius) !default;\n$pagination-border-width:           var(--#{$prefix}border-width) !default;\n$pagination-margin-start:           calc(#{$pagination-border-width} * -1) !default; // stylelint-disable-line function-disallowed-list\n$pagination-border-color:           var(--#{$prefix}border-color) !default;\n\n$pagination-focus-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-focus-bg:               var(--#{$prefix}secondary-bg) !default;\n$pagination-focus-box-shadow:       $focus-ring-box-shadow !default;\n$pagination-focus-outline:          0 !default;\n\n$pagination-hover-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$pagination-hover-border-color:     var(--#{$prefix}border-color) !default; // Todo in v6: remove this?\n\n$pagination-active-color:           $component-active-color !default;\n$pagination-active-bg:              $component-active-bg !default;\n$pagination-active-border-color:    $component-active-bg !default;\n\n$pagination-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$pagination-disabled-bg:            var(--#{$prefix}secondary-bg) !default;\n$pagination-disabled-border-color:  var(--#{$prefix}border-color) !default;\n\n$pagination-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$pagination-border-radius-sm:       var(--#{$prefix}border-radius-sm) !default;\n$pagination-border-radius-lg:       var(--#{$prefix}border-radius-lg) !default;\n// scss-docs-end pagination-variables\n\n\n// Placeholders\n\n// scss-docs-start placeholders\n$placeholder-opacity-max:           .5 !default;\n$placeholder-opacity-min:           .2 !default;\n// scss-docs-end placeholders\n\n// Cards\n\n// scss-docs-start card-variables\n$card-spacer-y:                     $spacer !default;\n$card-spacer-x:                     $spacer !default;\n$card-title-spacer-y:               $spacer * .5 !default;\n$card-title-color:                  null !default;\n$card-subtitle-color:               null !default;\n$card-border-width:                 var(--#{$prefix}border-width) !default;\n$card-border-color:                 var(--#{$prefix}border-color-translucent) !default;\n$card-border-radius:                var(--#{$prefix}border-radius) !default;\n$card-box-shadow:                   null !default;\n$card-inner-border-radius:          subtract($card-border-radius, $card-border-width) !default;\n$card-cap-padding-y:                $card-spacer-y * .5 !default;\n$card-cap-padding-x:                $card-spacer-x !default;\n$card-cap-bg:                       rgba(var(--#{$prefix}body-color-rgb), .03) !default;\n$card-cap-color:                    null !default;\n$card-height:                       null !default;\n$card-color:                        null !default;\n$card-bg:                           var(--#{$prefix}body-bg) !default;\n$card-img-overlay-padding:          $spacer !default;\n$card-group-margin:                 $grid-gutter-width * .5 !default;\n// scss-docs-end card-variables\n\n// Accordion\n\n// scss-docs-start accordion-variables\n$accordion-padding-y:                     1rem !default;\n$accordion-padding-x:                     1.25rem !default;\n$accordion-color:                         var(--#{$prefix}body-color) !default;\n$accordion-bg:                            var(--#{$prefix}body-bg) !default;\n$accordion-border-width:                  var(--#{$prefix}border-width) !default;\n$accordion-border-color:                  var(--#{$prefix}border-color) !default;\n$accordion-border-radius:                 var(--#{$prefix}border-radius) !default;\n$accordion-inner-border-radius:           subtract($accordion-border-radius, $accordion-border-width) !default;\n\n$accordion-body-padding-y:                $accordion-padding-y !default;\n$accordion-body-padding-x:                $accordion-padding-x !default;\n\n$accordion-button-padding-y:              $accordion-padding-y !default;\n$accordion-button-padding-x:              $accordion-padding-x !default;\n$accordion-button-color:                  var(--#{$prefix}body-color) !default;\n$accordion-button-bg:                     var(--#{$prefix}accordion-bg) !default;\n$accordion-transition:                    $btn-transition, border-radius .15s ease !default;\n$accordion-button-active-bg:              var(--#{$prefix}primary-bg-subtle) !default;\n$accordion-button-active-color:           var(--#{$prefix}primary-text-emphasis) !default;\n\n$accordion-button-focus-border-color:     $input-focus-border-color !default;\n$accordion-button-focus-box-shadow:       $btn-focus-box-shadow !default;\n\n$accordion-icon-width:                    1.25rem !default;\n$accordion-icon-color:                    $body-color !default;\n$accordion-icon-active-color:             $primary-text-emphasis !default;\n$accordion-icon-transition:               transform .2s ease-in-out !default;\n$accordion-icon-transform:                rotate(-180deg) !default;\n\n$accordion-button-icon:         url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$accordion-icon-color}'><path fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n$accordion-button-active-icon:  url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$accordion-icon-active-color}'><path fill-rule='evenodd' d='M1.646 4.646a.5.5 0 0 1 .708 0L8 10.293l5.646-5.647a.5.5 0 0 1 .708.708l-6 6a.5.5 0 0 1-.708 0l-6-6a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n// scss-docs-end accordion-variables\n\n// Tooltips\n\n// scss-docs-start tooltip-variables\n$tooltip-font-size:                 $font-size-sm !default;\n$tooltip-max-width:                 200px !default;\n$tooltip-color:                     var(--#{$prefix}body-bg) !default;\n$tooltip-bg:                        var(--#{$prefix}emphasis-color) !default;\n$tooltip-border-radius:             var(--#{$prefix}border-radius) !default;\n$tooltip-opacity:                   .9 !default;\n$tooltip-padding-y:                 $spacer * .25 !default;\n$tooltip-padding-x:                 $spacer * .5 !default;\n$tooltip-margin:                    null !default; // TODO: remove this in v6\n\n$tooltip-arrow-width:               .8rem !default;\n$tooltip-arrow-height:              .4rem !default;\n// fusv-disable\n$tooltip-arrow-color:               null !default; // Deprecated in Bootstrap 5.2.0 for CSS variables\n// fusv-enable\n// scss-docs-end tooltip-variables\n\n// Form tooltips must come after regular tooltips\n// scss-docs-start tooltip-feedback-variables\n$form-feedback-tooltip-padding-y:     $tooltip-padding-y !default;\n$form-feedback-tooltip-padding-x:     $tooltip-padding-x !default;\n$form-feedback-tooltip-font-size:     $tooltip-font-size !default;\n$form-feedback-tooltip-line-height:   null !default;\n$form-feedback-tooltip-opacity:       $tooltip-opacity !default;\n$form-feedback-tooltip-border-radius: $tooltip-border-radius !default;\n// scss-docs-end tooltip-feedback-variables\n\n\n// Popovers\n\n// scss-docs-start popover-variables\n$popover-font-size:                 $font-size-sm !default;\n$popover-bg:                        var(--#{$prefix}body-bg) !default;\n$popover-max-width:                 276px !default;\n$popover-border-width:              var(--#{$prefix}border-width) !default;\n$popover-border-color:              var(--#{$prefix}border-color-translucent) !default;\n$popover-border-radius:             var(--#{$prefix}border-radius-lg) !default;\n$popover-inner-border-radius:       calc(#{$popover-border-radius} - #{$popover-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$popover-box-shadow:                var(--#{$prefix}box-shadow) !default;\n\n$popover-header-font-size:          $font-size-base !default;\n$popover-header-bg:                 var(--#{$prefix}secondary-bg) !default;\n$popover-header-color:              $headings-color !default;\n$popover-header-padding-y:          .5rem !default;\n$popover-header-padding-x:          $spacer !default;\n\n$popover-body-color:                var(--#{$prefix}body-color) !default;\n$popover-body-padding-y:            $spacer !default;\n$popover-body-padding-x:            $spacer !default;\n\n$popover-arrow-width:               1rem !default;\n$popover-arrow-height:              .5rem !default;\n// scss-docs-end popover-variables\n\n// fusv-disable\n// Deprecated in Bootstrap 5.2.0 for CSS variables\n$popover-arrow-color:               $popover-bg !default;\n$popover-arrow-outer-color:         var(--#{$prefix}border-color-translucent) !default;\n// fusv-enable\n\n\n// Toasts\n\n// scss-docs-start toast-variables\n$toast-max-width:                   350px !default;\n$toast-padding-x:                   .75rem !default;\n$toast-padding-y:                   .5rem !default;\n$toast-font-size:                   .875rem !default;\n$toast-color:                       null !default;\n$toast-background-color:            rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-border-width:                var(--#{$prefix}border-width) !default;\n$toast-border-color:                var(--#{$prefix}border-color-translucent) !default;\n$toast-border-radius:               var(--#{$prefix}border-radius) !default;\n$toast-box-shadow:                  var(--#{$prefix}box-shadow) !default;\n$toast-spacing:                     $container-padding-x !default;\n\n$toast-header-color:                var(--#{$prefix}secondary-color) !default;\n$toast-header-background-color:     rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-header-border-color:         $toast-border-color !default;\n// scss-docs-end toast-variables\n\n\n// Badges\n\n// scss-docs-start badge-variables\n$badge-font-size:                   .75em !default;\n$badge-font-weight:                 $font-weight-bold !default;\n$badge-color:                       $white !default;\n$badge-padding-y:                   .35em !default;\n$badge-padding-x:                   .65em !default;\n$badge-border-radius:               var(--#{$prefix}border-radius) !default;\n// scss-docs-end badge-variables\n\n\n// Modals\n\n// scss-docs-start modal-variables\n$modal-inner-padding:               $spacer !default;\n\n$modal-footer-margin-between:       .5rem !default;\n\n$modal-dialog-margin:               .5rem !default;\n$modal-dialog-margin-y-sm-up:       1.75rem !default;\n\n$modal-title-line-height:           $line-height-base !default;\n\n$modal-content-color:               null !default;\n$modal-content-bg:                  var(--#{$prefix}body-bg) !default;\n$modal-content-border-color:        var(--#{$prefix}border-color-translucent) !default;\n$modal-content-border-width:        var(--#{$prefix}border-width) !default;\n$modal-content-border-radius:       var(--#{$prefix}border-radius-lg) !default;\n$modal-content-inner-border-radius: subtract($modal-content-border-radius, $modal-content-border-width) !default;\n$modal-content-box-shadow-xs:       var(--#{$prefix}box-shadow-sm) !default;\n$modal-content-box-shadow-sm-up:    var(--#{$prefix}box-shadow) !default;\n\n$modal-backdrop-bg:                 $black !default;\n$modal-backdrop-opacity:            .5 !default;\n\n$modal-header-border-color:         var(--#{$prefix}border-color) !default;\n$modal-header-border-width:         $modal-content-border-width !default;\n$modal-header-padding-y:            $modal-inner-padding !default;\n$modal-header-padding-x:            $modal-inner-padding !default;\n$modal-header-padding:              $modal-header-padding-y $modal-header-padding-x !default; // Keep this for backwards compatibility\n\n$modal-footer-bg:                   null !default;\n$modal-footer-border-color:         $modal-header-border-color !default;\n$modal-footer-border-width:         $modal-header-border-width !default;\n\n$modal-sm:                          300px !default;\n$modal-md:                          500px !default;\n$modal-lg:                          800px !default;\n$modal-xl:                          1140px !default;\n\n$modal-fade-transform:              translate(0, -50px) !default;\n$modal-show-transform:              none !default;\n$modal-transition:                  transform .3s ease-out !default;\n$modal-scale-transform:             scale(1.02) !default;\n// scss-docs-end modal-variables\n\n\n// Alerts\n//\n// Define alert colors, border radius, and padding.\n\n// scss-docs-start alert-variables\n$alert-padding-y:               $spacer !default;\n$alert-padding-x:               $spacer !default;\n$alert-margin-bottom:           1rem !default;\n$alert-border-radius:           var(--#{$prefix}border-radius) !default;\n$alert-link-font-weight:        $font-weight-bold !default;\n$alert-border-width:            var(--#{$prefix}border-width) !default;\n$alert-dismissible-padding-r:   $alert-padding-x * 3 !default; // 3x covers width of x plus default padding on either side\n// scss-docs-end alert-variables\n\n// fusv-disable\n$alert-bg-scale:                -80% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-border-scale:            -70% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-color-scale:             40% !default; // Deprecated in v5.2.0, to be removed in v6\n// fusv-enable\n\n// Progress bars\n\n// scss-docs-start progress-variables\n$progress-height:                   1rem !default;\n$progress-font-size:                $font-size-base * .75 !default;\n$progress-bg:                       var(--#{$prefix}secondary-bg) !default;\n$progress-border-radius:            var(--#{$prefix}border-radius) !default;\n$progress-box-shadow:               var(--#{$prefix}box-shadow-inset) !default;\n$progress-bar-color:                $white !default;\n$progress-bar-bg:                   $primary !default;\n$progress-bar-animation-timing:     1s linear infinite !default;\n$progress-bar-transition:           width .6s ease !default;\n// scss-docs-end progress-variables\n\n\n// List group\n\n// scss-docs-start list-group-variables\n$list-group-color:                  var(--#{$prefix}body-color) !default;\n$list-group-bg:                     var(--#{$prefix}body-bg) !default;\n$list-group-border-color:           var(--#{$prefix}border-color) !default;\n$list-group-border-width:           var(--#{$prefix}border-width) !default;\n$list-group-border-radius:          var(--#{$prefix}border-radius) !default;\n\n$list-group-item-padding-y:         $spacer * .5 !default;\n$list-group-item-padding-x:         $spacer !default;\n// fusv-disable\n$list-group-item-bg-scale:          -80% !default; // Deprecated in v5.3.0\n$list-group-item-color-scale:       40% !default; // Deprecated in v5.3.0\n// fusv-enable\n\n$list-group-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$list-group-active-color:           $component-active-color !default;\n$list-group-active-bg:              $component-active-bg !default;\n$list-group-active-border-color:    $list-group-active-bg !default;\n\n$list-group-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$list-group-disabled-bg:            $list-group-bg !default;\n\n$list-group-action-color:           var(--#{$prefix}secondary-color) !default;\n$list-group-action-hover-color:     var(--#{$prefix}emphasis-color) !default;\n\n$list-group-action-active-color:    var(--#{$prefix}body-color) !default;\n$list-group-action-active-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end list-group-variables\n\n\n// Image thumbnails\n\n// scss-docs-start thumbnail-variables\n$thumbnail-padding:                 .25rem !default;\n$thumbnail-bg:                      var(--#{$prefix}body-bg) !default;\n$thumbnail-border-width:            var(--#{$prefix}border-width) !default;\n$thumbnail-border-color:            var(--#{$prefix}border-color) !default;\n$thumbnail-border-radius:           var(--#{$prefix}border-radius) !default;\n$thumbnail-box-shadow:              var(--#{$prefix}box-shadow-sm) !default;\n// scss-docs-end thumbnail-variables\n\n\n// Figures\n\n// scss-docs-start figure-variables\n$figure-caption-font-size:          $small-font-size !default;\n$figure-caption-color:              var(--#{$prefix}secondary-color) !default;\n// scss-docs-end figure-variables\n\n\n// Breadcrumbs\n\n// scss-docs-start breadcrumb-variables\n$breadcrumb-font-size:              null !default;\n$breadcrumb-padding-y:              0 !default;\n$breadcrumb-padding-x:              0 !default;\n$breadcrumb-item-padding-x:         .5rem !default;\n$breadcrumb-margin-bottom:          1rem !default;\n$breadcrumb-bg:                     null !default;\n$breadcrumb-divider-color:          var(--#{$prefix}secondary-color) !default;\n$breadcrumb-active-color:           var(--#{$prefix}secondary-color) !default;\n$breadcrumb-divider:                quote(\"/\") !default;\n$breadcrumb-divider-flipped:        $breadcrumb-divider !default;\n$breadcrumb-border-radius:          null !default;\n// scss-docs-end breadcrumb-variables\n\n// Carousel\n\n// scss-docs-start carousel-variables\n$carousel-control-color:             $white !default;\n$carousel-control-width:             15% !default;\n$carousel-control-opacity:           .5 !default;\n$carousel-control-hover-opacity:     .9 !default;\n$carousel-control-transition:        opacity .15s ease !default;\n\n$carousel-indicator-width:           30px !default;\n$carousel-indicator-height:          3px !default;\n$carousel-indicator-hit-area-height: 10px !default;\n$carousel-indicator-spacer:          3px !default;\n$carousel-indicator-opacity:         .5 !default;\n$carousel-indicator-active-bg:       $white !default;\n$carousel-indicator-active-opacity:  1 !default;\n$carousel-indicator-transition:      opacity .6s ease !default;\n\n$carousel-caption-width:             70% !default;\n$carousel-caption-color:             $white !default;\n$carousel-caption-padding-y:         1.25rem !default;\n$carousel-caption-spacer:            1.25rem !default;\n\n$carousel-control-icon-width:        2rem !default;\n\n$carousel-control-prev-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M11.354 1.646a.5.5 0 0 1 0 .708L5.707 8l5.647 5.646a.5.5 0 0 1-.708.708l-6-6a.5.5 0 0 1 0-.708l6-6a.5.5 0 0 1 .708 0z'/></svg>\") !default;\n$carousel-control-next-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M4.646 1.646a.5.5 0 0 1 .708 0l6 6a.5.5 0 0 1 0 .708l-6 6a.5.5 0 0 1-.708-.708L10.293 8 4.646 2.354a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n\n$carousel-transition-duration:       .6s !default;\n$carousel-transition:                transform $carousel-transition-duration ease-in-out !default; // Define transform transition first if using multiple transitions (e.g., `transform 2s ease, opacity .5s ease-out`)\n// scss-docs-end carousel-variables\n\n// scss-docs-start carousel-dark-variables\n$carousel-dark-indicator-active-bg:  $black !default;\n$carousel-dark-caption-color:        $black !default;\n$carousel-dark-control-icon-filter:  invert(1) grayscale(100) !default;\n// scss-docs-end carousel-dark-variables\n\n\n// Spinners\n\n// scss-docs-start spinner-variables\n$spinner-width:           2rem !default;\n$spinner-height:          $spinner-width !default;\n$spinner-vertical-align:  -.125em !default;\n$spinner-border-width:    .25em !default;\n$spinner-animation-speed: .75s !default;\n\n$spinner-width-sm:        1rem !default;\n$spinner-height-sm:       $spinner-width-sm !default;\n$spinner-border-width-sm: .2em !default;\n// scss-docs-end spinner-variables\n\n\n// Close\n\n// scss-docs-start close-variables\n$btn-close-width:            1em !default;\n$btn-close-height:           $btn-close-width !default;\n$btn-close-padding-x:        .25em !default;\n$btn-close-padding-y:        $btn-close-padding-x !default;\n$btn-close-color:            $black !default;\n$btn-close-bg:               url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$btn-close-color}'><path d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/></svg>\") !default;\n$btn-close-focus-shadow:     $focus-ring-box-shadow !default;\n$btn-close-opacity:          .5 !default;\n$btn-close-hover-opacity:    .75 !default;\n$btn-close-focus-opacity:    1 !default;\n$btn-close-disabled-opacity: .25 !default;\n$btn-close-white-filter:     invert(1) grayscale(100%) brightness(200%) !default;\n// scss-docs-end close-variables\n\n\n// Offcanvas\n\n// scss-docs-start offcanvas-variables\n$offcanvas-padding-y:               $modal-inner-padding !default;\n$offcanvas-padding-x:               $modal-inner-padding !default;\n$offcanvas-horizontal-width:        400px !default;\n$offcanvas-vertical-height:         30vh !default;\n$offcanvas-transition-duration:     .3s !default;\n$offcanvas-border-color:            $modal-content-border-color !default;\n$offcanvas-border-width:            $modal-content-border-width !default;\n$offcanvas-title-line-height:       $modal-title-line-height !default;\n$offcanvas-bg-color:                var(--#{$prefix}body-bg) !default;\n$offcanvas-color:                   var(--#{$prefix}body-color) !default;\n$offcanvas-box-shadow:              $modal-content-box-shadow-xs !default;\n$offcanvas-backdrop-bg:             $modal-backdrop-bg !default;\n$offcanvas-backdrop-opacity:        $modal-backdrop-opacity !default;\n// scss-docs-end offcanvas-variables\n\n// Code\n\n$code-font-size:                    $small-font-size !default;\n$code-color:                        $pink !default;\n\n$kbd-padding-y:                     .1875rem !default;\n$kbd-padding-x:                     .375rem !default;\n$kbd-font-size:                     $code-font-size !default;\n$kbd-color:                         var(--#{$prefix}body-bg) !default;\n$kbd-bg:                            var(--#{$prefix}body-color) !default;\n$nested-kbd-font-weight:            null !default; // Deprecated in v5.2.0, removing in v6\n\n$pre-color:                         null !default;\n","/***\n * Rules for the UX/UI of skip navigation link btn. \n *It's only visible to people\n * navigating with keyboard for accessibility purposes\n * ref: https://www.youtube.com/watch?v=VUR0I5mqq7I\n ***/\n\n.skip-link {\n  position: fixed;\n  top: 0;\n  left: 0;\n  right: 0;\n  text-align: center;\n  background-color: var(--pst-color-warning);\n  // Ensure we are using a WCAG conformant colour\n  color: var(--pst-color-warning-text) !important;\n  padding: 0.5rem;\n  z-index: $zindex-modal;\n  border-bottom: 1px solid var(--pst-color-border);\n\n  // This shows / hides the button\n  transform: translateY(-100%);\n  transition: transform 150ms ease-in-out;\n  &:focus {\n    transform: translateY(0%);\n    // ensure this is visible\n    outline: 3px solid $foundation-black;\n  }\n}\n",".bd-container {\n  flex-grow: 1;\n  display: flex;\n  justify-content: center;\n\n  .bd-container__inner {\n    display: flex;\n  }\n}\n\n.bd-page-width {\n  width: 100%;\n  @include media-breakpoint-up(lg) {\n    max-width: $breakpoint-page-width;\n  }\n}\n","// Breakpoint viewport sizes and media queries.\n//\n// Breakpoints are defined as a map of (name: minimum width), order from small to large:\n//\n//    (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px)\n//\n// The map defined in the `$grid-breakpoints` global variable is used as the `$breakpoints` argument by default.\n\n// Name of the next breakpoint, or null for the last breakpoint.\n//\n//    >> breakpoint-next(sm)\n//    md\n//    >> breakpoint-next(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    md\n//    >> breakpoint-next(sm, $breakpoint-names: (xs sm md lg xl xxl))\n//    md\n@function breakpoint-next($name, $breakpoints: $grid-breakpoints, $breakpoint-names: map-keys($breakpoints)) {\n  $n: index($breakpoint-names, $name);\n  @if not $n {\n    @error \"breakpoint `#{$name}` not found in `#{$breakpoints}`\";\n  }\n  @return if($n < length($breakpoint-names), nth($breakpoint-names, $n + 1), null);\n}\n\n// Minimum breakpoint width. Null for the smallest (first) breakpoint.\n//\n//    >> breakpoint-min(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    576px\n@function breakpoint-min($name, $breakpoints: $grid-breakpoints) {\n  $min: map-get($breakpoints, $name);\n  @return if($min != 0, $min, null);\n}\n\n// Maximum breakpoint width.\n// The maximum value is reduced by 0.02px to work around the limitations of\n// `min-` and `max-` prefixes and viewports with fractional widths.\n// See https://www.w3.org/TR/mediaqueries-4/#mq-min-max\n// Uses 0.02px rather than 0.01px to work around a current rounding bug in Safari.\n// See https://bugs.webkit.org/show_bug.cgi?id=178261\n//\n//    >> breakpoint-max(md, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    767.98px\n@function breakpoint-max($name, $breakpoints: $grid-breakpoints) {\n  $max: map-get($breakpoints, $name);\n  @return if($max and $max > 0, $max - .02, null);\n}\n\n// Returns a blank string if smallest breakpoint, otherwise returns the name with a dash in front.\n// Useful for making responsive utilities.\n//\n//    >> breakpoint-infix(xs, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"\"  (Returns a blank string)\n//    >> breakpoint-infix(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"-sm\"\n@function breakpoint-infix($name, $breakpoints: $grid-breakpoints) {\n  @return if(breakpoint-min($name, $breakpoints) == null, \"\", \"-#{$name}\");\n}\n\n// Media of at least the minimum breakpoint width. No query for the smallest breakpoint.\n// Makes the @content apply to the given breakpoint and wider.\n@mixin media-breakpoint-up($name, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($name, $breakpoints);\n  @if $min {\n    @media (min-width: $min) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media of at most the maximum breakpoint width. No query for the largest breakpoint.\n// Makes the @content apply to the given breakpoint and narrower.\n@mixin media-breakpoint-down($name, $breakpoints: $grid-breakpoints) {\n  $max: breakpoint-max($name, $breakpoints);\n  @if $max {\n    @media (max-width: $max) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media that spans multiple breakpoint widths.\n// Makes the @content apply between the min and max breakpoints\n@mixin media-breakpoint-between($lower, $upper, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($lower, $breakpoints);\n  $max: breakpoint-max($upper, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($lower, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($upper, $breakpoints) {\n      @content;\n    }\n  }\n}\n\n// Media between the breakpoint's minimum and maximum widths.\n// No minimum for the smallest breakpoint, and no maximum for the largest one.\n// Makes the @content apply only to the given breakpoint, not viewports any wider or narrower.\n@mixin media-breakpoint-only($name, $breakpoints: $grid-breakpoints) {\n  $min:  breakpoint-min($name, $breakpoints);\n  $next: breakpoint-next($name, $breakpoints);\n  $max:  breakpoint-max($next, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($name, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($next, $breakpoints) {\n      @content;\n    }\n  }\n}\n",".bd-header-version-warning,\n.bd-header-announcement {\n  min-height: 3rem;\n  width: 100%;\n  display: flex;\n  position: relative;\n  align-items: center;\n  justify-content: center;\n  text-align: center;\n  padding: 0.5rem 12.5%; // Horizontal padding so the width is 75%\n  // One breakpoint less than $breakpoint-sidebar-primary. See variables/_layout.scss for more info.\n  @include media-breakpoint-down(lg) {\n    // Announcements can take a bit more width on mobile\n    padding: 0.5rem 2%;\n  }\n\n  p {\n    font-weight: bold;\n    margin: 0;\n  }\n\n  &:after {\n    position: absolute;\n    width: 100%;\n    height: 100%;\n    left: 0;\n    top: 0;\n    content: \"\";\n    z-index: -1; // So it doesn't hover over the content\n  }\n\n  &:empty {\n    display: none;\n  }\n\n  // Ensure there is enough contrast against the background\n  a {\n    color: var(--pst-color-inline-code-links);\n  }\n}\n\n// Bg color is now defined in the theme color palette - using our secondary color\n.bd-header-announcement {\n  &:after {\n    background-color: var(--pst-color-secondary-bg);\n  }\n}\n\n.bd-header-version-warning {\n  &:after {\n    background-color: var(--pst-color-danger-bg);\n  }\n}\n","/**\n * Main content area\n */\n.bd-main {\n  flex-grow: 1;\n  flex-direction: column;\n  display: flex;\n  min-width: 0;\n\n  .bd-content {\n    display: flex;\n    justify-content: center;\n    height: 100%;\n    .bd-article-container {\n      justify-content: start;\n      display: flex;\n      flex-direction: column;\n      // Max-width is slightly more than the W3 since our docs often have images.\n      // We shoot for about 100 characters per line instead of 80.\n      // ref: https://www.w3.org/WAI/tutorials/page-structure/styling/#line-length\n      width: 100%;\n      max-width: 60em;\n      overflow-x: auto; // Prevent wide content from pushing off the secondary sidebar\n      padding: 1rem;\n      .bd-article {\n        // Give a bit more verticle spacing on wide screens\n        @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n          padding-top: 1.5rem;\n          padding-left: 2rem;\n        }\n      }\n    }\n  }\n}\n",".bd-footer {\n  width: 100%;\n  border-top: 1px solid var(--pst-color-border);\n\n  .bd-footer__inner {\n    display: flex;\n    flex-grow: 1;\n    padding: 1rem;\n    margin: auto;\n  }\n\n  .footer-items__start,\n  .footer-items__center,\n  .footer-items__end {\n    display: flex;\n    flex-direction: column;\n    gap: 0.5rem;\n    justify-content: center;\n    flex-grow: 1;\n  }\n\n  .footer-items__center {\n    text-align: center;\n  }\n\n  .footer-items__end {\n    text-align: end;\n  }\n\n  // So that paragraphs don't take up extra room\n  .footer-item p {\n    margin-bottom: 0;\n  }\n}\n",".bd-footer-article {\n  margin-top: auto;\n\n  .footer-article-items {\n    display: flex;\n    flex-direction: column;\n  }\n}\n",".bd-footer-content {\n  .footer-content-items {\n    display: flex;\n    flex-direction: column;\n    margin-top: auto;\n  }\n}\n","/**\n * Header at the top of the page\n * It includes the announcement bar and the navigation bar.\n */\n\n// Styling for the Icon links can be found in components/_icon-links.scss\n\n// If we want the shadow to only point downward in the future, set\n// box-shadow to: 0 0.125rem 0.25rem -0.125rem rgba(0, 0, 0, 0.11);\n.bd-header {\n  position: sticky;\n  top: 0;\n  z-index: $zindex-fixed;\n\n  // Overrides bootstrap\n  background: var(--pst-color-on-background) !important;\n  box-shadow: 0 0.125rem 0.25rem 0 var(--pst-color-shadow);\n\n  width: 100%;\n  padding: 0;\n  max-width: 100vw;\n  justify-content: center;\n  .bd-header__inner {\n    display: flex;\n    align-items: center;\n    height: fit-content;\n    padding-left: 1rem;\n    padding-right: 1rem;\n  }\n\n  // These items will define the height of the header\n  .navbar-item {\n    height: var(--pst-header-height);\n    max-height: var(--pst-header-height);\n    display: flex;\n    align-items: center;\n  }\n\n  // Hide the header items on mobile\n  .navbar-header-items {\n    display: none;\n    flex-shrink: 1;\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: flex;\n      flex-grow: 1;\n      padding: 0 0 0 0.5rem;\n    }\n  }\n\n  .navbar-header-items__end,\n  .navbar-header-items__center,\n  .navbar-header-items__start {\n    display: flex;\n    align-items: center;\n    flex-flow: wrap;\n    // In case we wrap our items to multiple rows on small screens\n    row-gap: 0;\n  }\n\n  .navbar-header-items__end,\n  .navbar-header-items__center {\n    column-gap: 1rem;\n  }\n\n  // A little smaller because this is displayed by default on mobile\n  .navbar-header-items__start {\n    flex-shrink: 0;\n    margin-right: auto;\n    gap: 0.5rem;\n  }\n\n  .navbar-header-items__end {\n    // End navbar items should snap to the right\n    justify-content: end;\n  }\n\n  // Contains the navigation links within the navbar\n  .navbar-nav {\n    display: flex;\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      // Center align on wide screens so the dropdown button is centered properly\n      align-items: center;\n    }\n\n    li a.nav-link {\n      @include link-style-text;\n    }\n\n    // Current page is always underlined in the navbar\n    > .current > .nav-link {\n      @include link-navbar-current;\n    }\n\n    // Dropdowns for the extra links\n    .dropdown {\n      button {\n        display: unset;\n        color: var(--pst-color-text-muted);\n        border: none;\n        @include link-style-hover;\n        @include focus-indicator;\n      }\n\n      .dropdown-menu {\n        z-index: $zindex-popover;\n        border: 1px solid var(--pst-color-border);\n        box-shadow: 0 0 0.3rem 0.1rem var(--pst-color-shadow);\n        background-color: var(--pst-color-on-background);\n        padding: 0.5rem 0;\n        margin: 0.5rem 0;\n        min-width: 20rem;\n\n        .dropdown-item {\n          // Give the items in the dropdown some breathing room but let the hit\n          // and hover area of the items extend to the edges of the menu\n          padding: 0.25rem 1.5rem;\n\n          // Override Bootstrap\n          &:focus:not(:hover):not(:active) {\n            background-color: inherit;\n          }\n        }\n\n        // Hide the menu unless show has been clicked\n        &:not(.show) {\n          display: none;\n        }\n      }\n    }\n  }\n}\n\n// inline the element in the navbar as long as they fit and use display block when collapsing\n@include media-breakpoint-up($breakpoint-sidebar-primary) {\n  .navbar-center-items .navbar-item {\n    display: inline-block;\n  }\n}\n\n.nav-link {\n  @include link-style-hover;\n\n  // Override Bootstrap\n  transition: none;\n\n  &.nav-external:after {\n    font: var(--fa-font-solid);\n    content: var(--pst-icon-external-link);\n    font-size: 0.75em;\n    margin-left: 0.3em;\n  }\n}\n\n.bd-navbar-elements li.nav-item i {\n  font-size: 0.7rem;\n  padding-left: 2px;\n  vertical-align: middle;\n}\n\n/**\n * Showing and hiding the sidebar toggle buttons and header items\n */\n\n// Hide the header items on mobile\n.bd-header {\n  // Toggle labels\n  label {\n    &.sidebar-toggle {\n      display: flex;\n      cursor: pointer;\n      font-size: var(--pst-font-size-icon);\n      align-items: center;\n      color: var(--pst-color-muted);\n      margin-bottom: 0;\n      padding-bottom: 0.25rem;\n    }\n\n    &.primary-toggle {\n      margin-right: 1rem;\n      @include media-breakpoint-up($breakpoint-sidebar-primary) {\n        display: none;\n      }\n    }\n\n    &.secondary-toggle {\n      margin-left: 1rem;\n      @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n        display: none;\n      }\n    }\n    @include icon-navbar-hover;\n    @include focus-indicator;\n  }\n\n  // Hide the navbar header items on mobile because they're in the sidebar\n  .navbar-header-items {\n    display: none;\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: inherit;\n    }\n  }\n}\n\n// THe elements next to the hamburger menu only show on narrow screens\n.navbar-persistent--mobile {\n  margin-left: auto;\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: none;\n  }\n}\n\n// The navbar-persistent content should only show on wide screens\n.navbar-persistent--container {\n  display: none;\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: flex;\n  }\n}\n",".header-article__inner {\n  display: flex;\n  padding: 0 0.5rem;\n\n  // The items define the height so that it disappears if there are no items\n  .header-article-item {\n    min-height: var(--pst-header-article-height);\n    height: var(--pst-header-article-height);\n  }\n\n  .header-article-items__start,\n  .header-article-items__end {\n    display: flex;\n    align-items: start;\n    gap: 0.5rem;\n  }\n\n  .header-article-items__end {\n    margin-left: auto;\n  }\n}\n","/**\n * The primary sidebar on the left.\n * e.g., between-pages navigation.\n */\n\n.bd-sidebar-primary {\n  display: flex;\n  flex-direction: column;\n  gap: 1rem;\n  max-height: calc(100vh - var(--pst-header-height));\n  position: sticky;\n  top: var(--pst-header-height);\n  @include make-col(3);\n\n  // Borders padding and whitespace\n  padding: 2rem 1rem 1rem 1rem;\n  border-right: 1px solid var(--pst-color-border);\n  background-color: var(--pst-color-background);\n  overflow-y: auto;\n\n  font-size: var(--pst-sidebar-font-size-mobile);\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    font-size: var(--pst-sidebar-font-size);\n  }\n\n  // override bootstrap when navlink are displayed in the sidebar\n  .nav-link {\n    font-size: var(--pst-sidebar-font-size-mobile);\n  }\n\n  &.no-sidebar {\n    border-right: 0;\n  }\n\n  &.hide-on-wide {\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: none;\n    }\n  }\n\n  // Headers shouldn't be colored in the sidebars and some extensions add headers\n  h1,\n  h2,\n  h3,\n  h4 {\n    color: var(--pst-color-text-base);\n  }\n\n  .sidebar-primary-items__start,\n  .sidebar-primary-items__end {\n    .sidebar-primary-item {\n      padding: 0.5rem 0;\n    }\n  }\n\n  // Hide the sidebar header items on widescreen since they are visible in the header\n  .sidebar-header-items {\n    display: flex;\n    flex-direction: column;\n\n    .sidebar-header-items__title {\n      font-weight: var(--pst-sidebar-header-font-weight);\n      font-size: var(--pst-sidebar-header-font-size);\n      color: var(--pst-color-text-base);\n      margin-bottom: 0.5rem;\n    }\n\n    // The dropdown toggle for extra links just shows them all instead.\n    .nav-item.dropdown {\n      // On mobile, the dropdown behaves like any other link, no hiding\n      button {\n        display: none;\n      }\n\n      .dropdown-menu {\n        display: flex;\n        flex-direction: column;\n        padding: 0;\n        margin: 0;\n        border: none;\n        background-color: inherit;\n        font-size: inherit;\n      }\n    }\n\n    // Center header items get displayed vertically, end items are displayed horizontally\n    .sidebar-header-items__center {\n      display: flex;\n      flex-direction: column;\n    }\n\n    // Positioning end items\n    .sidebar-header-items__end {\n      display: flex;\n      align-items: center;\n      gap: 0.5rem;\n    }\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: none;\n    }\n  }\n\n  .sidebar-primary-items__start {\n    // Add a border on mobile to separate it from the header sidebar area\n    border-top: 1px solid var(--pst-color-border);\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      border-top: none;\n    }\n  }\n\n  .sidebar-primary-items__end {\n    margin-top: auto;\n    margin-bottom: 1em;\n  }\n  .list-caption {\n    list-style: none;\n    padding-left: 0px;\n  }\n  li {\n    position: relative;\n    // If it has children, add a bit more padding to wrap the content to avoid\n    // overlapping with the <label>\n    &.has-children {\n      > .reference {\n        padding-right: 30px;\n      }\n    }\n  }\n  // Navigation item chevrons\n  label.toctree-toggle {\n    position: absolute;\n    top: 0;\n    right: 0;\n    height: 30px;\n    width: 30px;\n\n    cursor: pointer;\n\n    display: flex;\n    justify-content: center;\n    align-items: center;\n\n    &:hover {\n      background: var(--pst-color-surface);\n    }\n\n    i {\n      display: inline-block;\n      font-size: 0.75rem;\n      text-align: center;\n      &:hover {\n        color: var(--pst-color-primary);\n      }\n    }\n  }\n  .label-parts {\n    width: 100%;\n    height: 100%;\n    &:hover {\n      background: none;\n    }\n    i {\n      width: 30px;\n      position: absolute;\n      top: 0.3em; // aligning chevron with text\n      right: 0em; // aligning chevron to the right\n    }\n  }\n}\n\n/* Between-page links and captions */\nnav.bd-links {\n  margin-right: -1rem;\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: block;\n  }\n\n  ul {\n    list-style: none;\n\n    // Reduce padding of nested `ul` items a bit\n    ul {\n      padding: 0 0 0 1rem;\n    }\n  }\n\n  li > a {\n    display: block;\n    padding: 0.25rem 0.65rem;\n    @include link-sidebar;\n    box-shadow: none;\n\n    &.reference.external {\n      &:after {\n        font: var(--fa-font-solid);\n        content: var(--pst-icon-external-link);\n        font-size: 0.75em;\n        margin-left: 0.3em;\n      }\n    }\n  }\n\n  .current {\n    > a {\n      @include link-sidebar-current;\n      background-color: transparent;\n    }\n  }\n\n  // Title\n  p.bd-links__title {\n    font-size: var(--pst-sidebar-header-font-size);\n    font-weight: var(--pst-sidebar-header-font-weight);\n    margin-bottom: 0.5rem;\n  }\n\n  // Toctree captions\n  p.caption {\n    font-weight: var(--pst-sidebar-header-font-weight);\n    position: relative;\n    margin-top: 1.25rem;\n    margin-bottom: 0.5rem;\n    color: var(--pst-color-text-base);\n    &:first-child {\n      margin-top: 0;\n    }\n\n    font-size: var(--pst-sidebar-font-size-mobile);\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      font-size: var(--pst-sidebar-font-size);\n    }\n  }\n}\n","// Grid system\n//\n// Generate semantic grid columns with these mixins.\n\n@mixin make-row($gutter: $grid-gutter-width) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  display: flex;\n  flex-wrap: wrap;\n  // TODO: Revisit calc order after https://github.com/react-bootstrap/react-bootstrap/issues/6039 is fixed\n  margin-top: calc(-1 * var(--#{$prefix}gutter-y)); // stylelint-disable-line function-disallowed-list\n  margin-right: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n}\n\n@mixin make-col-ready() {\n  // Add box sizing if only the grid is loaded\n  box-sizing: if(variable-exists(include-column-box-sizing) and $include-column-box-sizing, border-box, null);\n  // Prevent columns from becoming too narrow when at smaller grid tiers by\n  // always setting `width: 100%;`. This works because we set the width\n  // later on to override this initial width.\n  flex-shrink: 0;\n  width: 100%;\n  max-width: 100%; // Prevent `.col-auto`, `.col` (& responsive variants) from breaking out the grid\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-top: var(--#{$prefix}gutter-y);\n}\n\n@mixin make-col($size: false, $columns: $grid-columns) {\n  @if $size {\n    flex: 0 0 auto;\n    width: percentage(divide($size, $columns));\n\n  } @else {\n    flex: 1 1 0;\n    max-width: 100%;\n  }\n}\n\n@mixin make-col-auto() {\n  flex: 0 0 auto;\n  width: auto;\n}\n\n@mixin make-col-offset($size, $columns: $grid-columns) {\n  $num: divide($size, $columns);\n  margin-left: if($num == 0, 0, percentage($num));\n}\n\n// Row columns\n//\n// Specify on a parent element(e.g., .row) to force immediate children into NN\n// number of columns. Supports wrapping to new lines, but does not do a Masonry\n// style grid.\n@mixin row-cols($count) {\n  > * {\n    flex: 0 0 auto;\n    width: percentage(divide(1, $count));\n  }\n}\n\n// Framework grid generation\n//\n// Used only by Bootstrap to generate the correct number of grid classes given\n// any value of `$grid-columns`.\n\n@mixin make-grid-columns($columns: $grid-columns, $gutter: $grid-gutter-width, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      // Provide basic `.col-{bp}` classes for equal-width flexbox columns\n      .col#{$infix} {\n        flex: 1 0 0%; // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      }\n\n      .row-cols#{$infix}-auto > * {\n        @include make-col-auto();\n      }\n\n      @if $grid-row-columns > 0 {\n        @for $i from 1 through $grid-row-columns {\n          .row-cols#{$infix}-#{$i} {\n            @include row-cols($i);\n          }\n        }\n      }\n\n      .col#{$infix}-auto {\n        @include make-col-auto();\n      }\n\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .col#{$infix}-#{$i} {\n            @include make-col($i, $columns);\n          }\n        }\n\n        // `$columns - 1` because offsetting by the width of an entire row isn't possible\n        @for $i from 0 through ($columns - 1) {\n          @if not ($infix == \"\" and $i == 0) { // Avoid emitting useless .offset-0\n            .offset#{$infix}-#{$i} {\n              @include make-col-offset($i, $columns);\n            }\n          }\n        }\n      }\n\n      // Gutters\n      //\n      // Make use of `.g-*`, `.gx-*` or `.gy-*` utilities to change spacing between the columns.\n      @each $key, $value in $gutters {\n        .g#{$infix}-#{$key},\n        .gx#{$infix}-#{$key} {\n          --#{$prefix}gutter-x: #{$value};\n        }\n\n        .g#{$infix}-#{$key},\n        .gy#{$infix}-#{$key} {\n          --#{$prefix}gutter-y: #{$value};\n        }\n      }\n    }\n  }\n}\n\n@mixin make-cssgrid($columns: $grid-columns, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .g-col#{$infix}-#{$i} {\n            grid-column: auto / span $i;\n          }\n        }\n\n        // Start with `1` because `0` is and invalid value.\n        // Ends with `$columns - 1` because offsetting by the width of an entire row isn't possible.\n        @for $i from 1 through ($columns - 1) {\n          .g-start#{$infix}-#{$i} {\n            grid-column-start: $i;\n          }\n        }\n      }\n    }\n  }\n}\n","/**\n * Secondary sidebar on the right.\n * e.g., in-page table of contents.\n */\n.bd-sidebar-secondary {\n  display: flex;\n  order: 2;\n  flex-shrink: 0;\n  flex-direction: column;\n  position: sticky;\n  top: var(--pst-header-height);\n  max-height: calc(100vh - var(--pst-header-height));\n  padding: 2rem 1rem 1rem 1rem;\n  width: var(--pst-sidebar-secondary);\n  font-size: var(--pst-sidebar-font-size-mobile);\n  @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n    font-size: var(--pst-sidebar-font-size);\n  }\n\n  // Color and border\n  background-color: var(--pst-color-background);\n  overflow-y: auto;\n}\n\n.sidebar-secondary-item {\n  padding: 0.5rem 0.5rem;\n  @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n    border-left: 1px solid var(--pst-color-border);\n    padding-left: 1rem;\n  }\n\n  i {\n    padding-right: 0.5rem;\n  }\n}\n","/*******************************************************************************\n* Rules for the UX/UI of sidebar sliding drawers on mobile\n* Note that this sheet controls styles across many parts of the theme\n* It is aggregated into this one sheet instead of being split across\n* components in order to keep it easier to debug in one place.\n* It is broken up into major sections below.\n*/\n\n/*******************************************************************************\n* Buttons and overlays\n*/\ninput.sidebar-toggle {\n  display: none;\n}\n\n// Background overlays\nlabel.overlay {\n  background-color: black;\n  opacity: 0.5;\n  height: 0;\n  width: 0;\n  position: fixed;\n  top: 0;\n  left: 0;\n  transition: opacity $animation-time ease-out;\n  z-index: $zindex-modal-backdrop;\n}\n\ninput {\n  // Show the correct overlay when its input is checked\n  &#__primary:checked + label.overlay.overlay-primary,\n  &#__secondary:checked + label.overlay.overlay-secondary {\n    height: 100vh;\n    width: 100vw;\n  }\n\n  // Primary sidebar slides in from the left\n  &#__primary:checked ~ .bd-container .bd-sidebar-primary {\n    visibility: visible;\n    margin-left: 0;\n  }\n\n  // Secondary sidebar slides in from the right\n  &#__secondary:checked ~ .bd-container .bd-sidebar-secondary {\n    visibility: visible;\n    margin-right: 0;\n  }\n}\n\n/*******************************************************************************\n* Sidebar drawer behavior\n*/\n\n/**\n * Behavior for sliding drawer elements that will be toggled with an input\n *\n * NOTE: We use this mixin to define the toggle behavior on narrow screens,\n * And the wide-screen behavior of the sections is defined in their own section\n * .scss files.\n */\n@mixin sliding-drawer($side: \"left\") {\n  position: fixed;\n  top: 0;\n  z-index: $zindex-modal;\n  height: 100vh;\n  max-height: 100vh;\n  width: 75%;\n  flex-grow: 0.75;\n  max-width: 350px;\n  transition: visibility $animation-time ease-out,\n    margin $animation-time ease-out;\n  visibility: hidden;\n\n  @if $side == \"right\" {\n    margin-right: -75%;\n    right: 0;\n  } @else {\n    margin-left: -75%;\n    left: 0;\n  }\n}\n\n// Primary sidebar hides/shows at earlier widths\n@include media-breakpoint-up($breakpoint-sidebar-primary) {\n  label.sidebar-toggle.primary-toggle {\n    display: none;\n  }\n\n  input#__primary {\n    &:checked + label.overlay.overlay-primary {\n      height: 0;\n      width: 0;\n    }\n  }\n\n  .bd-sidebar-primary {\n    margin-left: 0;\n    visibility: visible;\n  }\n}\n\n.bd-sidebar-primary {\n  @include media-breakpoint-down($breakpoint-sidebar-primary) {\n    @include sliding-drawer(\"left\");\n  }\n}\n\n.bd-sidebar-secondary {\n  @include media-breakpoint-down($breakpoint-sidebar-secondary) {\n    @include sliding-drawer(\"right\");\n  }\n}\n","/**\n * Breadcrumbs for parent pages meant for the article header\n */\nul.bd-breadcrumbs {\n  list-style: none;\n  padding-left: 0;\n  display: flex;\n  flex-wrap: wrap;\n\n  // Font size slightly smaller to avoid cluttering up space too much\n  font-size: 0.8rem;\n\n  li.breadcrumb-item {\n    display: flex;\n    align-items: center;\n\n    // Style should look like heavier in-page links\n    // keeping visited in the default link colour\n    font-weight: bold;\n    a {\n      @include link-style-text;\n    }\n\n    // Items that aren't the home have a caret to the left\n    &:not(.breadcrumb-home):before {\n      font: var(--fa-font-solid);\n      font-size: 0.8rem;\n      content: var(--pst-breadcrumb-divider);\n      color: var(--pst-color-text-muted);\n      padding: 0 0.5rem;\n    }\n  }\n}\n","/**\n * Icon links in the navbar\n */\n\n.navbar-icon-links {\n  display: flex;\n  flex-direction: row;\n  column-gap: 1rem;\n  flex-wrap: wrap;\n\n  // Remove the padding so that we can define it with flexbox gap above\n  li.nav-item a.nav-link {\n    padding-left: 0;\n    padding-right: 0;\n    @include icon-navbar-hover;\n  }\n\n  // Spacing and centering\n  a span {\n    display: flex;\n    align-items: center;\n  }\n\n  // Icons styling\n  i {\n    &.fa-brands,\n    &.fa-regular,\n    &.fa-solid {\n      vertical-align: middle;\n      font-style: normal;\n      font-size: var(--pst-font-size-icon);\n    }\n\n    /* Social media buttons hard-code the brand color */\n    &.fa-square-twitter:before {\n      color: #55acee;\n    }\n\n    &.fa-square-gitlab:before {\n      color: #548;\n    }\n\n    &.fa-bitbucket:before {\n      color: #0052cc;\n    }\n  }\n\n  // Force images to be icon-sized\n  img.icon-link-image {\n    height: 1.5em;\n    border-radius: 0.2rem;\n  }\n}\n","/**\n * Logo in the navbar\n */\n\n.navbar-brand {\n  position: relative;\n  height: var(--pst-header-height);\n  max-height: var(--pst-header-height);\n  padding: 0.5rem 0;\n  width: auto;\n  margin: 0;\n  display: flex;\n  // Ensure that the logo stays the same length while other content shrinks\n  flex-shrink: 0;\n  align-items: center;\n  gap: 0.5rem;\n\n  // If there's no logo image, we use a p element w/ the site title\n  p {\n    margin-bottom: 0;\n  }\n\n  // If there's a logo, it'll be in an img block\n  img {\n    max-width: 100%;\n    height: 100%;\n    width: auto;\n  }\n\n  // remove underline from brand title on default state\n  a {\n    text-decoration: none;\n  }\n  &:hover {\n    @include link-style-hover;\n  }\n  &:visited {\n    &:hover {\n      @include link-style-hover;\n    }\n  }\n}\n","/**\n * Navigation text links in the navbar\n */\n.navbar-nav {\n  ul {\n    display: block;\n    list-style: none;\n\n    // Reduce padding of nested `ul` items a bit\n    ul {\n      padding: 0 0 0 1rem;\n    }\n  }\n\n  // Navbar links - do not have an underline by default\n  li {\n    display: flex;\n    flex-direction: column;\n\n    a {\n      display: flex;\n      align-items: center;\n      height: 100%;\n      padding-top: 0.25rem;\n      padding-bottom: 0.25rem;\n      @include link-style-text;\n    }\n  }\n\n  /**\n   * Togglable expand/collapse\n   * This is only applicable to the primary sidebar which has these checkboxes\n   */\n  .toctree-checkbox {\n    position: absolute;\n    display: none;\n  }\n\n  .toctree-checkbox {\n    ~ ul {\n      display: none;\n    }\n    ~ label .fa-chevron-down {\n      transform: rotate(0deg);\n    }\n  }\n  .toctree-checkbox:checked {\n    ~ ul {\n      display: block;\n    }\n    ~ label .fa-chevron-down {\n      transform: rotate(180deg);\n    }\n  }\n}\n","/**\n * The list of in-page TOC links\n */\n.page-toc {\n  .section-nav {\n    padding-left: 0;\n    border-bottom: none;\n\n    ul {\n      padding-left: 1rem;\n    }\n  }\n\n  // override bootstrap settings\n  .nav-link {\n    font-size: var(--pst-sidebar-font-size-mobile);\n    @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n      font-size: var(--pst-sidebar-font-size);\n    }\n  }\n\n  .onthispage {\n    color: var(--pst-color-text-base);\n    font-weight: var(--pst-sidebar-header-font-weight);\n    margin-bottom: 0.5rem;\n  }\n}\n","/**\n* Previous / Next navigation buttons\n**/\n.prev-next-area {\n  width: 100%;\n\n  p {\n    margin: 0 0.3em;\n    line-height: 1.3em;\n  }\n\n  i {\n    font-size: 1.2em;\n  }\n\n  a {\n    // So that buttons align with icons\n    display: flex;\n    align-items: center;\n    border: none;\n    padding: 10px;\n    max-width: 45%;\n    overflow-x: hidden;\n    color: var(--pst-color-text-muted);\n    text-decoration: none;\n\n    p.prev-next-title {\n      @include link-style-default;\n      font-weight: var(--pst-admonition-font-weight-heading);\n      font-size: 1.1em;\n    }\n\n    &:hover p.prev-next-title {\n      @include link-style-hover;\n    }\n    // Exception here - keep visited in the default link colour\n    // it still should hover on the default link hover colour\n    &:visited p.prev-next-title {\n      color: var(--pst-color-link);\n      &:hover {\n        color: var(--pst-color-link-hover);\n      }\n    }\n\n    .prev-next-info {\n      flex-direction: column;\n      margin: 0 0.5em;\n\n      .prev-next-subtitle {\n        text-transform: capitalize;\n      }\n    }\n\n    &.left-prev {\n      float: left;\n    }\n\n    &.right-next {\n      float: right;\n\n      div.prev-next-info {\n        text-align: right;\n      }\n    }\n  }\n}\n","/**\n * Search field\n **/\n.bd-search {\n  position: relative;\n  padding-left: 0.5rem;\n  gap: 0.5rem;\n  background-color: var(--pst-color-background);\n  border-radius: $admonition-border-radius;\n  border: 1px solid var(--pst-color-border);\n  color: var(--pst-color-text-base);\n\n  // Background should always be same color regardless of active or not\n  &:active {\n    background-color: var(--pst-color-background);\n    color: var(--pst-color-text-muted);\n  }\n\n  .icon {\n    position: absolute;\n    color: var(--pst-color-border);\n    left: 25px;\n  }\n\n  .fa-solid.fa-magnifying-glass {\n    position: absolute;\n    left: calc((2.5rem - 0.7em) / 2);\n    color: var(--pst-color-text-muted);\n  }\n\n  input {\n    // Inner-text of the search bar\n    &::placeholder {\n      color: var(--pst-color-text-muted);\n    }\n\n    // Remove the little \"x\" that pops up when you start typing\n    &::-webkit-search-cancel-button,\n    &::-webkit-search-decoration {\n      -webkit-appearance: none;\n      appearance: none;\n    }\n  }\n\n  // Shows off the keyboard shortcuts for the button\n  .search-button__kbd-shortcut {\n    display: flex;\n    position: absolute;\n    right: 0.5rem;\n    color: var(--pst-color-border);\n  }\n}\n\n.form-control {\n  background-color: var(--pst-color-background);\n  color: var(--pst-color-text-base);\n\n  &:focus,\n  &:focus-visible {\n    border: none;\n    box-shadow: none;\n    outline: 3px solid var(--pst-color-accent);\n    background-color: var(--pst-color-background);\n    color: var(--pst-color-text-muted);\n  }\n}\n\n/**\n * Search button - located in the navbar\n */\n\n// Search link icon should be a bit bigger since it is separate from icon links\n.search-button {\n  display: flex;\n  align-items: center;\n  align-content: center;\n  color: var(--pst-color-text-muted);\n  border-radius: 0;\n  @include icon-navbar-hover;\n  @include focus-indicator;\n\n  i {\n    font-size: 1.3rem;\n  }\n}\n\n// __search-container will only show up when we use the search pop-up bar\n.search-button__search-container,\n.search-button__overlay {\n  display: none;\n}\n.search-button__wrapper.show {\n  .search-button__search-container {\n    display: flex;\n    // Center in middle of screen just underneath header\n    position: fixed;\n    z-index: $zindex-modal;\n    top: 30%;\n    left: 50%;\n    transform: translate(-50%, -50%);\n    right: 1rem;\n    margin-top: 0.5rem;\n    width: 90%;\n    max-width: 800px;\n  }\n\n  .search-button__overlay {\n    display: flex;\n    position: fixed;\n    z-index: $zindex-modal-backdrop;\n    background-color: black;\n    opacity: 0.5;\n    width: 100%;\n    height: 100%;\n    top: 0px;\n    left: 0px;\n  }\n\n  form.bd-search {\n    flex-grow: 1;\n    padding-top: 0;\n    padding-bottom: 0;\n  }\n\n  // Font and input text a bit bigger\n  svg,\n  input {\n    font-size: var(--pst-font-size-icon);\n  }\n}\n\n/**\n * The search button component that looks like a field.\n * Lives at components/search-button-field.html\n */\n.search-button-field {\n  display: inline-flex;\n  align-items: center;\n  border: var(--pst-color-border) solid 1px;\n  border-radius: 1.5em;\n  color: var(--pst-color-text-muted);\n  padding: 0.5em;\n  background-color: var(--pst-color-surface);\n\n  &:hover {\n    border: 2px solid var(--pst-color-link-hover);\n  }\n  &:focus-visible {\n    border: 2px solid var(--pst-color-accent);\n  }\n\n  // The keyboard shotcut text\n  .search-button__default-text {\n    font-size: var(--bs-nav-link-font-size);\n    font-weight: var(--bs-nav-link-font-weight);\n    margin-right: 0.5em;\n    margin-left: 0.5em;\n  }\n\n  .kbd-shortcut__modifier {\n    font-size: 0.75em;\n  }\n\n  // Ensures that all the text lines up in the middle\n  > * {\n    align-items: center;\n  }\n\n  // Only the icon should be visible on narrow screens\n  > :not(svg) {\n    display: none;\n\n    @include media-breakpoint-up(lg) {\n      display: flex;\n    }\n  }\n}\n","/**\n * The 'Hide Search Matches' button.\n * This only shows up when a person lands on a page after clicking a search result.\n * Clicking it removes the highlighting of the search term from the page.\n * We want it to behave like a button.\n */\ndiv#searchbox {\n  // Leave `#searchbox` rules empty so that it doesn't show at all when it is empty\n  p.highlight-link {\n    margin: 1rem 0;\n    width: fit-content;\n\n    // A bit more margin on wide screens to mimic article behavior\n    @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n      margin-left: 2rem;\n    }\n\n    // Put outer shadow on this one so that we can darken the link w/ an inner shadow\n    @include box-shadow();\n\n    // Style the button to look like a Sphinx Design button\n    a {\n      border-radius: 0.25rem;\n      font-size: 1.25rem;\n      padding: 0.75rem;\n      background-color: var(--pst-color-primary);\n      color: var(--pst-color-primary-text);\n      text-decoration: none;\n\n      // The box shadow is inset so that it darkens the button on hover\n      transition: box-shadow 0.25s ease-out;\n      &:hover {\n        box-shadow: inset 0px 0px 50px 50px rgba(0, 0, 0, 0.25);\n      }\n\n      &:before {\n        content: var(--pst-icon-search-minus);\n        color: unset;\n        font: var(--fa-font-solid);\n        margin-right: 0.5rem;\n      }\n    }\n  }\n}\n","/*********************************************\n* SASS Mixins\n*********************************************/\n\n/**\n * A consistent box shadow style we apply across elements.\n */\n@mixin box-shadow() {\n  box-shadow: 0 0.2rem 0.5rem var(--pst-color-shadow),\n    0 0 0.0625rem var(--pst-color-shadow) !important;\n}\n\n/**\n   * Set background of some cell outputs to white-ish to make sure colors work\n   * This is because many libraries make output that only looks good on white\n   */\n@mixin cell-output-background {\n  color: var(--pst-color-on-background);\n  background-color: var(--pst-color-text-base);\n  border-radius: 0.25rem;\n  padding: 0.5rem;\n}\n","/**\n * Light/dark theme switcher\n */\n\n.theme-switch-button {\n  // overide bootstrap settings\n  margin: 0 -0.5rem;\n  padding: 0; // We pad the `span` not the container\n  color: var(--pst-color-text-muted);\n  border-radius: 0;\n  @include focus-indicator;\n\n  span {\n    display: none;\n    padding: 0.5em;\n\n    @include icon-navbar-hover;\n    &:active {\n      text-decoration: none;\n      color: var(--pst-color-link-hover);\n    }\n  }\n}\n\nhtml[data-mode=\"auto\"] .theme-switch-button span[data-mode=\"auto\"] {\n  display: flex;\n}\nhtml[data-mode=\"light\"] .theme-switch-button span[data-mode=\"light\"] {\n  display: flex;\n}\nhtml[data-mode=\"dark\"] .theme-switch-button span[data-mode=\"dark\"] {\n  display: flex;\n}\n","button.btn.version-switcher__button {\n  border-color: var(--pst-color-border);\n  color: var(--pst-color-text-base);\n  // Add a margin on narrow screens to avoid feeling cramped\n  margin-bottom: 1em;\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    margin-bottom: unset;\n  }\n\n  @include link-style-hover;\n  @include focus-indicator;\n  &:active {\n    color: var(--pst-color-text-base);\n    border-color: var(--pst-color-border);\n  }\n}\n\n.version-switcher__menu {\n  border-color: var(--pst-color-border);\n  border-radius: var(--bs-dropdown-border-radius);\n\n  a.list-group-item {\n    background-color: var(--pst-color-on-background);\n    color: var(--pst-color-text-base);\n    padding: 0.75rem 1.25rem;\n\n    &:not(:last-child) {\n      border-bottom: 1px solid var(--pst-color-border);\n    }\n    @include link-style-hover;\n    &:hover {\n      background-color: var(--pst-color-surface);\n    }\n    &.active {\n      @include link-sidebar-current;\n      position: relative;\n      z-index: 1;\n\n      span:before {\n        content: \"\";\n        width: 100%;\n        height: 100%;\n        position: absolute;\n        z-index: -1;\n        left: 0;\n        top: 0;\n      }\n    }\n  }\n}\n\n// Font behavior on mobile\nbutton.version-switcher__button,\n.version-switcher__menu {\n  font-size: 1.1em; // A bit smaller than other menu font\n  z-index: $zindex-modal; // higher than the sidebars\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    font-size: unset;\n  }\n}\n","/* Collapsing of the TOC sidebar while scrolling */\n/* Nav: hide second level (shown on .active) */\n\nnav.page-toc {\n  // A little extra space before the buttons\n  margin-bottom: 1rem;\n}\n\n.bd-toc .nav,\n.list-caption {\n  .nav {\n    display: none;\n\n    // So we can manually specify a level as visible in the config\n    &.visible {\n      display: block;\n    }\n  }\n\n  > .active > ul {\n    display: block;\n  }\n}\n\n// Each entry of the in-page TOC\n.toc-entry {\n  display: block;\n  a > code {\n    color: var(--pst-color-text-muted);\n  }\n\n  a.nav-link {\n    display: block;\n    padding: 0.125rem 0;\n\n    // Padding w/ negative margin so the top TOC item highlight overlaps w/ the TOC border\n    padding-left: 1rem;\n    margin-left: -1rem;\n\n    @include link-sidebar;\n\n    &.active {\n      @include link-sidebar-current;\n      background-color: transparent;\n\n      &:hover {\n        color: var(--pst-color-link-hover);\n      }\n    }\n  }\n}\n","div.versionadded,\ndiv.versionchanged,\ndiv.deprecated {\n  vertical-align: middle;\n  margin: 1.5625em auto;\n  padding: 0 0.6rem 0 0.6rem;\n  overflow: hidden;\n  page-break-inside: avoid;\n  border-left: 0.2rem solid;\n  border-color: var(--pst-color-info);\n  border-radius: $admonition-border-radius;\n  background-color: var(--pst-color-on-background);\n  @include box-shadow();\n  position: relative;\n\n  > p {\n    margin-bottom: 0.6rem;\n    margin-top: 0.6rem;\n  }\n}\n\ndiv.versionadded {\n  border-color: var(--pst-color-success);\n  background-color: var(--pst-color-success-bg);\n}\n\ndiv.versionchanged {\n  border-color: var(--pst-color-warning);\n  background-color: var(--pst-color-warning-bg);\n}\n\ndiv.deprecated {\n  border-color: var(--pst-color-danger);\n  background-color: var(--pst-color-danger-bg);\n}\n\nspan.versionmodified {\n  font-weight: 600;\n\n  &:before {\n    margin-right: 0.6rem;\n    color: var(--pst-color-info);\n    font: var(--fa-font-solid);\n    content: var(--pst-icon-versionmodified-default);\n  }\n}\n\nspan.versionmodified.added {\n  &:before {\n    color: var(--pst-color-success);\n    content: var(--pst-icon-versionmodified-added);\n  }\n}\n\nspan.versionmodified.changed {\n  &:before {\n    color: var(--pst-color-warning);\n    content: var(--pst-icon-versionmodified-changed);\n  }\n}\n\nspan.versionmodified.deprecated {\n  &:before {\n    color: var(--pst-color-danger);\n    content: var(--pst-icon-versionmodified-deprecated);\n  }\n}\n",".sidebar-indices-items {\n  display: flex;\n  flex-direction: column;\n  border-top: 1px solid var(--pst-color-border);\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    border-top: none;\n  }\n\n  .sidebar-indices-items__title {\n    font-weight: var(--pst-sidebar-header-font-weight);\n    font-size: var(--pst-sidebar-header-font-size);\n    color: var(--pst-color-text-base);\n    margin-bottom: 0.5rem;\n  }\n\n  ul.indices-link {\n    margin-right: -1rem;\n    list-style: none;\n    padding: 0;\n\n    li > a {\n      display: block;\n      padding: 0.25rem 0;\n      color: var(--pst-color-text-muted);\n\n      &:hover {\n        color: var(--pst-color-primary);\n        text-decoration: none;\n        background-color: transparent;\n      }\n    }\n  }\n}\n",".bd-sidebar-primary div#rtd-footer-container {\n  position: sticky;\n  bottom: -1rem;\n  margin: -1rem; // ignore sidebar padding\n\n  .rst-versions.rst-badge {\n    position: unset;\n    font-size: 0.9em;\n    font-family: var(--pst-font-family-base);\n    max-width: unset;\n\n    .rst-current-version {\n      display: flex;\n      align-items: center;\n      gap: 0.2rem;\n      height: 2.5rem;\n      transition: background-color 0.2s ease-out;\n      background-color: var(--pst-color-background);\n      color: var(--pst-color-success);\n      border-top: 1px solid var(--pst-color-border);\n    }\n\n    .fa.fa-book {\n      color: var(--pst-color-text-muted);\n      margin-right: auto;\n\n      &::after {\n        color: var(--pst-color-text-base);\n        content: \"Read The Docs\";\n        font-family: var(--pst-font-family-base);\n        font-weight: var(--pst-admonition-font-weight-heading);\n      }\n    }\n    .fa.fa-caret-down {\n      color: var(--pst-color-text-muted);\n    }\n  }\n\n  .rst-versions.rst-badge.shift-up {\n    .rst-current-version {\n      border-bottom: 1px solid var(--pst-color-border);\n    }\n  }\n\n  .rst-other-versions {\n    background-color: var(--pst-color-surface);\n    color: var(--pst-color-text-base);\n\n    dl {\n      dd a {\n        color: var(--pst-color-text-muted);\n      }\n    }\n\n    hr {\n      background-color: var(--pst-color-border);\n    }\n\n    small a {\n      color: var(--pst-color-link);\n    }\n\n    input {\n      padding-left: 0.5rem;\n      border: 1px solid var(--pst-color-border);\n      background-color: var(--pst-color-surface);\n    }\n  }\n}\n","/**\n * Admonitions and blocks of styled content.\n * Admonitions CSS originally inspired by https://squidfunk.github.io/mkdocs-material/getting-started/\n */\n$admonition-border-radius: 0.25rem;\ndiv.admonition,\n.admonition {\n  margin: 1.5625em auto;\n  padding: 0 0.6rem 0.8rem 0.6rem;\n  overflow: hidden;\n  page-break-inside: avoid;\n  border-left: 0.2rem solid;\n  border-color: var(--pst-color-info);\n  border-radius: $admonition-border-radius;\n  background-color: var(--pst-color-on-background);\n  @include box-shadow();\n\n  // Last item should have no spacing since we'll control that w/ padding\n  *:last-child {\n    margin-bottom: 0;\n  }\n\n  // Items after the title should be indented\n  p.admonition-title ~ * {\n    margin-left: 1.4rem;\n    margin-right: 1.4rem;\n  }\n\n  // Lists need to have left margin so they don't spill into it\n  > ol,\n  > ul {\n    margin-left: 1em;\n  }\n\n  // Defaults for all admonitions\n  > .admonition-title {\n    margin: 0 -0.6rem;\n    padding: 0.4rem 0.6rem 0.4rem 2rem;\n    font-weight: var(--pst-admonition-font-weight-heading);\n    position: relative;\n    @include legacy-backdrop-placeholder;\n    background-color: var(--pst-color-info-bg);\n    // now that we use solid colors we want the title on top\n    z-index: 1;\n\n    &:after {\n      position: absolute;\n      left: 0.5rem;\n      width: 1rem;\n      height: 1rem;\n      color: var(--pst-color-info);\n      font: var(--fa-font-solid);\n      line-height: inherit;\n      content: var(--pst-icon-admonition-default);\n      opacity: 1;\n    }\n\n    // Next element after title needs some extra upper-space\n    + * {\n      margin-top: 0.4em;\n    }\n  }\n\n  &.attention {\n    border-color: var(--pst-color-attention);\n    > .admonition-title {\n      background-color: var(--pst-color-attention-bg);\n\n      &:after {\n        color: var(--pst-color-attention);\n        content: var(--pst-icon-admonition-attention);\n      }\n    }\n  }\n\n  &.caution {\n    border-color: var(--pst-color-warning);\n    > .admonition-title {\n      background-color: var(--pst-color-warning-bg);\n\n      &:after {\n        color: var(--pst-color-warning);\n        content: var(--pst-icon-admonition-caution);\n      }\n    }\n  }\n\n  &.warning {\n    border-color: var(--pst-color-warning);\n    > .admonition-title {\n      background-color: var(--pst-color-warning-bg);\n\n      &:after {\n        color: var(--pst-color-warning);\n        content: var(--pst-icon-admonition-warning);\n      }\n    }\n  }\n\n  &.danger {\n    border-color: var(--pst-color-danger);\n    > .admonition-title {\n      background-color: var(--pst-color-danger-bg);\n\n      &:after {\n        color: var(--pst-color-danger);\n        content: var(--pst-icon-admonition-danger);\n      }\n    }\n  }\n\n  &.error {\n    border-color: var(--pst-color-danger);\n    > .admonition-title {\n      background-color: var(--pst-color-danger-bg);\n\n      &:after {\n        color: var(--pst-color-danger);\n        content: var(--pst-icon-admonition-error);\n      }\n    }\n  }\n\n  &.hint {\n    border-color: var(--pst-color-success);\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &:after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-hint);\n      }\n    }\n  }\n\n  &.tip {\n    border-color: var(--pst-color-success);\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &:after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-tip);\n      }\n    }\n  }\n\n  &.important {\n    border-color: var(--pst-color-attention);\n    > .admonition-title {\n      background-color: var(--pst-color-attention-bg);\n\n      &:after {\n        color: var(--pst-color-attention);\n        content: var(--pst-icon-admonition-important);\n      }\n    }\n  }\n\n  &.note {\n    border-color: var(--pst-color-info);\n    > .admonition-title {\n      background-color: var(--pst-color-info-bg);\n\n      &:after {\n        color: var(--pst-color-info);\n        content: var(--pst-icon-admonition-note);\n      }\n    }\n  }\n\n  &.seealso {\n    border-color: var(--pst-color-success);\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &:after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-seealso);\n      }\n    }\n  }\n\n  &.admonition-todo {\n    border-color: var(--pst-color-secondary);\n    > .admonition-title {\n      background-color: var(--pst-color-secondary-bg);\n\n      &:after {\n        color: var(--pst-color-secondary);\n        content: var(--pst-icon-admonition-todo);\n      }\n    }\n  }\n\n  /**\n   * Special-case for a `sidebar` class that makes the admonition float to\n   * the right like the {sidebar} directive.\n   */\n  &.sidebar {\n    max-width: 40%;\n    float: right;\n    clear: both;\n    margin-left: 0.5rem;\n    margin-top: 0;\n\n    // Undo the .sidebar directive border\n    border-width: 0 0 0 0.2rem;\n\n    // TODO: these semantic-color-names border-color rules might no longer be\n    //       needed when we drop support for Sphinx 4 / docutils 0.17\n    &.attention,\n    &.important {\n      border-color: var(--pst-color-attention);\n    }\n\n    &.caution,\n    &.warning {\n      border-color: var(--pst-color-warning);\n    }\n\n    &.danger,\n    &.error {\n      border-color: var(--pst-color-danger);\n    }\n\n    &.hint,\n    &.tip,\n    &.seealso {\n      border-color: var(--pst-color-success);\n    }\n\n    &.note,\n    &.todo {\n      border-color: var(--pst-color-info);\n    }\n\n    // No inner margin since we have less horizontal space w/ the sidebar\n    p.admonition-title ~ * {\n      margin-left: 0rem;\n      margin-right: 0rem;\n    }\n  }\n}\n\n/**************************************************************\n * Similar content blocks that are not technically admonitions.\n */\n\n/**\n * Topics and the {contents} directive\n */\n// Docutils <= 0.17\ndiv.topic,\ndiv.topic.contents,\n// Docutils >= 0.18\nnav.contents,\naside.topic {\n  display: flex;\n  flex-direction: column;\n  background-color: var(--pst-color-surface);\n  border-color: var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n  padding: 1rem 1.25rem;\n  @include box-shadow();\n\n  .topic-title {\n    margin: 0 0 0.5rem 0;\n  }\n\n  // Over-ride text color to ensure enough contrast\n  p {\n    color: var(--pst-color-on-surface) !important;\n  }\n\n  // Over-ride large default padding\n  ul.simple {\n    padding-left: 1rem;\n\n    ul {\n      // So that sub-lists will have a bit less padding\n      padding-left: 2em;\n    }\n  }\n}\n\n/**\n * Sidebar directive\n */\naside.sidebar {\n  border: 1px solid var(--pst-color-border);\n  background-color: var(--pst-color-surface);\n  border-radius: $admonition-border-radius;\n  // to match the admonition-styled sidebars:\n  margin-left: 0.5rem;\n  padding: 0;\n  > *:last-child {\n    padding-bottom: 1rem;\n  }\n\n  p.sidebar-title {\n    position: relative;\n    margin-bottom: 0;\n    padding-top: 0.5rem;\n    padding-bottom: 0.5rem;\n    border-bottom: 1px solid var(--pst-color-border);\n    font-family: var(--pst-font-family-heading);\n    font-weight: var(--pst-admonition-font-weight-heading);\n  }\n\n  // Add margin to the first non-`.sidebar-title` item\n  > *:not(.sidebar-title):first-child,\n  > p.sidebar-title + * {\n    margin-top: 1rem;\n  }\n\n  > * {\n    padding-left: 1rem;\n    padding-right: 1rem;\n  }\n}\n\n/**\n * Rubrics look kind of like section headers\n */\np.rubric {\n  display: flex;\n  flex-direction: column;\n}\n\n/**\n * Seealso is kind of like a vertically-collapsed admonition\n */\n.seealso dd {\n  margin-top: 0;\n  margin-bottom: 0;\n}\n","/**\n * Miscellaneous color functions and mixins\n**/\n\n// loading the math module\n@use \"sass:math\";\n\n// We must add ::before pseudo-element to some theme components (such as admonitions)\n// because users were instructed to customize the background color this way.\n@mixin legacy-backdrop-placeholder {\n  &:before {\n    content: \"\";\n    width: 100%;\n    height: 100%;\n    position: absolute;\n    left: 0;\n    top: 0;\n    z-index: -1;\n    // So that hovering over the text within background is still possible.\n    // Otherwise the background overlays the text and you cannot click or select easily.\n    // ref: https://developer.mozilla.org/en-US/docs/Web/CSS/pointer-events\n    pointer-events: none;\n  }\n}\n\n/**\n* Function to get items from nested maps\n*/\n// @param {Map} $map - Map\n// @param {Arglist} $keys - Keys to fetc\n// @return {*}\n@function map-deep-get($map, $keys...) {\n  @each $key in $keys {\n    $map: map-get($map, $key);\n  }\n  @return $map;\n}\n\n/**\n  * Function to check if the color needs converting to a \"color\" type\n  * if it is a string we cannot use other color manipulation functions\n  * It is used to create the sphinx-design colours as these are often interpolated\n  */\n// @param {String/Color} $color - Color definition from map\n// @return {Color} - Color type (in hex)\n@function check-color($color) {\n  @if type-of($color) == string {\n    $color: from-hex($color);\n  }\n  @return $color;\n}\n\n/**\n  * Function to convert the string representation of a color to a color type (hex)\n  */\n// @param {String} $string - String representation of a color\n@function from-hex($string) {\n  $string-lower: to-lower-case($string);\n  $r: \"\";\n  $g: \"\";\n  $b: \"\";\n  $hex: \"0\" \"1\" \"2\" \"3\" \"4\" \"5\" \"6\" \"7\" \"8\" \"9\" \"a\" \"b\" \"c\" \"d\" \"e\" \"f\";\n  $length: str-length($string);\n  $max: if($length == 4, 1, 2);\n\n  // Check for length accuracy\n  @if $length != 4 and $length != 7 {\n    @return $string;\n  }\n\n  // Loop from the second character (omitting #)\n  @for $i from 2 through $length {\n    $c: str-slice($string-lower, $i, $i);\n\n    // If wrong character, return\n    @if index($hex, $c) == null {\n      @return $string;\n    }\n\n    @if str-length($r) < $max {\n      $r: $r + $c;\n    } @else if str-length($g) < $max {\n      $g: $g + $c;\n    } @else if str-length($b) < $max {\n      $b: $b + $c;\n    }\n  }\n\n  @if $length == 4 {\n    $r: $r + $r;\n    $g: $g + $g;\n    $b: $b + $b;\n  }\n\n  @return rgb(_hex-to-dec($r), _hex-to-dec($g), _hex-to-dec($b));\n}\n\n@function _hex-to-dec($string) {\n  $hex: \"0\" \"1\" \"2\" \"3\" \"4\" \"5\" \"6\" \"7\" \"8\" \"9\" \"a\" \"b\" \"c\" \"d\" \"e\" \"f\";\n  $string: to-lower-case($string);\n  $length: str-length($string);\n\n  $dec: 0;\n  @for $i from 1 through $length {\n    $factor: 1 + (15 * ($length - $i));\n    $index: index($hex, str-slice($string, $i, $i));\n    $dec: $dec + $factor * ($index - 1);\n  }\n\n  @return $dec;\n}\n","// Style API docs from sphinx' autodoc / autosummary\n\n/*******************************************************************************\n* Styling for field lists\n*/\n\n/* grey highlighting of 'parameter' and 'returns' field */\ntable.field-list {\n  border-collapse: separate;\n  border-spacing: 10px;\n  margin-left: 1px;\n\n  th.field-name {\n    padding: 1px 8px 1px 5px;\n    white-space: nowrap;\n    background-color: var(--pst-color-surface);\n  }\n\n  /* italic font for parameter types */\n  td.field-body {\n    p {\n      font-style: italic;\n\n      > strong {\n        font-style: normal;\n      }\n    }\n\n    /* reduced space around parameter description */\n    blockquote {\n      border-left: none;\n      margin: 0em 0em 0.3em;\n      padding-left: 30px;\n    }\n  }\n}\n\n/*******************************************************************************\n* Styling for autosummary tables\n*/\n\n.table.autosummary {\n  // The first column (with the signature) should not wrap\n  td:first-child {\n    white-space: nowrap;\n  }\n}\n\n/* overriding basic.css to use our own monospace font */\n.sig {\n  font-family: var(--pst-font-family-monospace);\n}\n\n/* C++ specific styling - overriding the basic.css to avoid custom colors*/\n\n.sig-inline.c-texpr,\n.sig-inline.cpp-texpr {\n  font-family: unset;\n}\n\n.sig.c .k,\n.sig.c .kt,\n.sig.cpp .k,\n.sig.cpp .kt {\n  color: var(--pst-color-text-base);\n}\n\n.sig.c .m,\n.sig.cpp .m {\n  color: var(--pst-color-text-base);\n}\n\n.sig.c .s,\n.sig.c .sc,\n.sig.cpp .s,\n.sig.cpp .sc {\n  color: var(--pst-color-text-base);\n}\n\n// addition\n\n// .sig.c .sig-name .n,\n// .sig.cpp .sig-name .n {\n//   color: var(--pst-color-inline-code);\n// }\n\n.sig-name {\n  color: var(--pst-color-inline-code);\n}\n\n.sig-param .o,\n.sig-param .default_value {\n  color: var(--pst-color-text-muted);\n  font-weight: normal;\n}\n\n// change target color for dark theme\ndt:target,\nspan.highlighted {\n  background-color: var(--pst-color-target);\n}\n\n.viewcode-back {\n  font-family: var(--pst-font-family-base);\n}\n\n.viewcode-block:target {\n  border-top: 1px solid var(--pst-color-border);\n  border-bottom: 1px solid var(--pst-color-border);\n  position: relative;\n  background-color: var(--pst-color-target);\n}\n\n/*******************************************************************************\n* Styling for autosummary titles like \"parameters\" and \"returns\"\n*/\n\n// the API selector\n// from https://github.com/pradyunsg/furo/blob/main/src/furo/assets/styles/content/_api.sass#L6)\ndl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) {\n  //increase margin bottom after the dl elements\n  margin-bottom: 3rem;\n\n  dd {\n    margin-left: 2rem;\n\n    // Fix until this will be solved to Sphinx https://github.com/sphinx-doc/sphinx/issues/10815\n    & > dl.simple > dt {\n      display: flex;\n    }\n  }\n\n  dl.field-list {\n    display: grid;\n    grid-template-columns: unset;\n  }\n\n  dt.field-odd,\n  dt.field-even {\n    margin-top: 0.2rem;\n    margin-bottom: 0.1rem;\n    background-color: var(--pst-color-surface);\n  }\n}\n","/**\n * Code block styling\n * Note that we inherit a lot of styling from Bootstrap so not many rules here.\n */\n\n// General code block behavior\n// Unset bootstrap behavior\ndiv[class*=\"highlight-\"],\ndiv.highlight,\ndiv.literal-block-wrapper {\n  display: flex;\n  flex-direction: column;\n  width: unset;\n  border-radius: $admonition-border-radius;\n}\n\n// Code blocks with captions\n// There's a wrapper when the code block has a title\ndiv.literal-block-wrapper {\n  border: 1px solid var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n\n  // This is where the title goes\n  div.code-block-caption {\n    margin: 0;\n    border-bottom: 1px solid var(--pst-color-border);\n    padding: 0.5rem;\n    font-size: 1rem;\n    font-weight: var(--pst-font-weight-caption);\n\n    a.headerlink {\n      font-size: inherit;\n    }\n  }\n\n  // Remove the upper border radius since we want it to connect with the title\n  // Remove the box shadow so the wrapper gets the shadow instead\n  div[class*=\"highlight-\"] {\n    margin: 0;\n    border-radius: 0;\n    pre {\n      border: none;\n      box-shadow: none;\n    }\n  }\n}\n\n/**\n * In-line code\n */\ncode.literal {\n  padding: 0.1rem 0.25rem;\n  background-color: var(--pst-color-surface);\n  border: 1px solid var(--pst-color-border);\n  border-radius: 0.25rem;\n}\n\na > code {\n  color: var(--pst-color-inline-code-links);\n}\n\n// Fix for Sphinx's \"highlight\" directive - this is an issue with our accessible pygments theme\n// and the colour we are using for the background of the code blocks.\nhtml[data-theme=\"light\"] .highlight .nf {\n  color: #0078a1 !important;\n}\n\n// Minimum opacity needed for linenos to be WCAG AA conformant\nspan.linenos {\n  opacity: 0.8 !important;\n}\n","figure {\n  a.headerlink {\n    // So that header link doesn't push caption to be off-center.\n    position: absolute;\n    font-size: inherit;\n  }\n  // Default headerlink hover doesn't trigger on figures\n  &:hover a.headerlink {\n    visibility: visible;\n  }\n\n  figcaption {\n    font-family: var(--pst-font-family-heading);\n    font-weight: var(--pst-font-weight-caption);\n    color: var(--pst-color-text-muted);\n    margin-left: auto;\n    margin-right: auto;\n\n    table.table {\n      width: fit-content;\n      margin-left: auto;\n      margin-right: auto;\n    }\n  }\n}\n","// For consistency, add bracket around footnotes/citations which are\n// cited more than once. E.g. [Newton](1,2) instead of Newton(1,2)\ndt.label > span.brackets:not(:only-child):before {\n  content: \"[\";\n}\n\ndt.label > span.brackets:not(:only-child):after {\n  content: \"]\";\n}\n\n// Make footnote as a superscript\na.footnote-reference {\n  vertical-align: super;\n  font-size: small;\n}\n\n// Docutils 0.18 uses an `aside.footnote` container with different internal structure\naside.footnote {\n  margin-bottom: 0.5rem;\n  &:last-child {\n    margin-bottom: 1rem;\n  }\n  span.label,\n  span.backrefs {\n    font-weight: bold;\n  }\n\n  &:target {\n    background-color: var(--pst-color-target);\n  }\n}\n","/**\n * Hacky fixes that don't fit cleanly into other sections\n */\n\n// Ensure user highlighting/selecting behaves properly\n// From https://stackoverflow.com/a/34372191\ntable.highlighttable td.linenos,\nspan.linenos,\ndiv.doctest > div.highlight span.gp {\n  /* gp: Generic.Prompt */\n  user-select: none;\n  -webkit-user-select: text; /* Safari fallback only */\n  -webkit-user-select: none; /* Chrome/Safari */\n  -moz-user-select: none; /* Firefox */\n  -ms-user-select: none; /* IE10+ */\n}\n","// Override bootstrap by restoring the basic theme default.\ndd {\n  margin-top: 3px;\n  margin-bottom: 10px;\n  margin-left: 30px;\n}\n\nol,\nul {\n  padding-inline-start: 2rem;\n  li > p:first-child {\n    margin-bottom: 0.25rem;\n    margin-top: 0.25rem;\n  }\n}\n","// GitHub blockquote style\nblockquote {\n  padding: 1em 1em;\n  color: var(--pst-color-text-muted);\n  border-left: 0.25em solid var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n  position: relative;\n\n  p {\n    color: var(--pst-color-text-base);\n  }\n\n  // remove padding from included line-block to avoid duplication\n  .line-block {\n    margin: 0 0;\n  }\n\n  // remove margin bottom for the last p\n  p:last-child {\n    margin-bottom: 0;\n  }\n\n  @include legacy-backdrop-placeholder;\n  background-color: var(--pst-color-surface);\n\n  //hack to make the text in the blockquote selectable\n  &:before {\n    z-index: -1;\n  }\n}\n","/**\n * Span-level styling within content\n */\n\nspan.guilabel {\n  border: 1px solid var(--pst-color-info);\n  color: var(--pst-color-info);\n  font-size: 80%;\n  font-weight: 700;\n  border-radius: 4px;\n  padding: 2.4px 6px;\n  margin: auto 2px;\n  position: relative;\n  @include legacy-backdrop-placeholder;\n  background-color: var(--pst-color-info-bg);\n}\n\na.reference.download:before {\n  content: var(--pst-icon-download);\n  font: var(--fa-font-solid);\n  font-size: 0.8em;\n  padding: 0 0.25em;\n  color: var(--pst-color-text-muted);\n}\n","/**\n * Tables\n */\n\n// ensure table will fit in the article width and make them y-scrollable\ntable {\n  display: table;\n  overflow: auto;\n\n  // default to table-center\n  margin-left: auto;\n  margin-right: auto;\n\n  &.table-right {\n    margin-right: 0;\n  }\n\n  &.table-left {\n    margin-left: 0;\n  }\n}\n\n// customize table caption from bootstrap\n// to display them on top and centered\ntable caption {\n  text-align: center;\n  caption-side: top;\n  color: var(--pst-color-text-muted);\n}\n\n// MyST Markdown tables use these classes to control alignment\nth,\ntd {\n  &.text-align\\:left {\n    text-align: left;\n  }\n\n  &.text-align\\:right {\n    text-align: right;\n  }\n\n  &.text-align\\:center {\n    text-align: center;\n  }\n}\n\n// override bootstrap background colors\n.table {\n  --bs-table-bg: transparent;\n}\n","/**\n * Style the toctree component in pages (avoid modifying the navbars)\n */\n.toctree-wrapper {\n  p.caption {\n    font-size: 1.5em;\n    margin-bottom: 0em;\n  }\n\n  & > ul {\n    padding-left: 0;\n  }\n\n  li[class^=\"toctree-l\"] {\n    list-style: none;\n    margin-bottom: 0.2em;\n\n    & > a {\n      list-style: none;\n      font-size: 1.1em;\n    }\n\n    & > ul {\n      list-style: none;\n      padding-inline-start: 1.5em;\n    }\n  }\n\n  // slightly bigger font for l1\n  .toctree-l1 > a {\n    font-size: 1.3em;\n  }\n}\n\ndiv.topic.contents,  // Docutils <= 0.17\nnav.contents  // Docutils >= 0.18\n{\n  // Style similarly to toctree\n  ul.simple {\n    list-style: none;\n    padding-left: 0;\n  }\n}\n","/**\n * Mathematics via MathJax.\n *\n * This is designed for MathJax v3\n * ref: https://www.sphinx-doc.org/en/master/usage/extensions/math.html#module-sphinx.ext.mathjax\n */\n\n// Applies to all math elements\nspan.math,\ndiv.math {\n  align-items: center;\n  display: flex;\n  max-width: 100%;\n  // This will be over-ridden for the y-direction and divs\n  overflow: hidden;\n}\n\n// Inline-only\nspan.math {\n  display: inline-flex;\n}\n\n// Block-level only\ndiv.math {\n  gap: 0.5em;\n  // So that the eqno shows up after the equation\n  flex-direction: row-reverse;\n\n  // The equation number / link\n  span.eqno a.headerlink {\n    position: relative;\n    font-size: 1em;\n  }\n\n  // The math container\n  mjx-container {\n    flex-grow: 1;\n    padding-bottom: 0.2rem;\n    overflow: auto;\n\n    // Set height to 0 so that it does not cause scrollbars to appear\n    // ref: https://github.com/mathjax/MathJax/issues/2521\n    mjx-assistive-mml {\n      height: 0;\n    }\n  }\n}\n","/**\n * ABlog\n * ref: https://ablog.readthedocs.io/\n */\n\n/**\n * Sidebar template components\n */\n.ablog-sidebar-item {\n  h2,\n  h3 {\n    font-size: var(--pst-sidebar-header-font-size);\n    // Remove unnecessary vertical whitespace\n    margin-top: 0.5rem;\n\n    // The headers are all links, but this makes them hard to parse\n    // So we change the colors to make them look like headers\n    a {\n      color: var(--pst-color-text-base);\n    }\n  }\n\n  ul {\n    // No bullet points for the primary sidebar items\n    list-style: none;\n    padding-left: 0;\n    // Otherwise a scrollbar randomly shows up\n    overflow-y: hidden;\n    // List of recent post items\n    display: flex;\n    flex-direction: column;\n    gap: 0.5em;\n    margin-bottom: 0;\n\n    // The ablog cloud should move horizontally\n    &.ablog-cloud {\n      flex-direction: row;\n      flex-flow: wrap;\n      gap: 0.5rem;\n\n      // Vertical-align tag clouds\n      li {\n        // Center the tag cloud items\n        display: flex;\n        align-items: center;\n      }\n    }\n  }\n}\n\n/**\n * Previous / next buttons at the bottom\n */\n.ablog__prev-next {\n  font-size: 1.2em;\n  display: flex;\n  padding: 1rem 0;\n\n  // The bottom previous / next arrows\n  > span {\n    // To ensure that the whole thing fits on one line even if there are long titles\n    display: flex;\n    max-width: 45%;\n\n    // Links within each span have the collection of icon + text\n    a {\n      display: flex;\n      align-items: center;\n      margin-left: auto;\n      gap: 1rem;\n      line-height: 1.5rem;\n\n      i:before {\n        color: var(--pst-color-text-base);\n      }\n    }\n  }\n\n  // The first span is for the previous page and aligns to the left\n  span.ablog__prev {\n    i.fa-arrow-circle-left:before {\n      content: var(--pst-icon-angle-left);\n    }\n  }\n\n  // The second span is just an empty space so we remove it because we're\n  // positioning with flex\n  span.ablog__spacer {\n    display: none;\n  }\n\n  // The third span is aligned to the right\n  span.ablog__next {\n    margin-left: auto;\n    text-align: right;\n\n    i.fa-arrow-circle-right:before {\n      content: var(--pst-icon-angle-right);\n    }\n  }\n}\n\n/**\n * {postlist} directive and posts page\n */\n.ablog__collection,\n.postlist {\n  padding-left: 0;\n\n  .ablog-post {\n    list-style: none;\n\n    // Post metadata tags (author, links ,etc) should be a bit smaller\n    .ablog-archive {\n      display: flex;\n      flex-direction: row;\n      flex-wrap: wrap;\n      gap: 1rem;\n      list-style: none;\n      font-size: 0.75rem;\n      padding-left: 0;\n    }\n\n    // Title line should be a bit bigger and bold to stand out\n    .ablog-post-title {\n      margin-top: 0;\n      font-size: 1.25rem;\n\n      a {\n        font-weight: bold;\n      }\n    }\n\n    // Read more button should be a bit bigger\n    .ablog-post-expand {\n      margin-bottom: 0.5rem;\n    }\n  }\n}\n","/**\n * Special cases for Bootstrap functionality\n */\n\n// Bootstrap adds margin to their general container class. However, sphinx/docutils\n// can also generate output with the container class, but in those cases we should\n// not add the margin from bootstrap. Same for max-width.\n.docutils.container {\n  padding-left: unset;\n  padding-right: unset;\n  margin-left: unset;\n  margin-right: unset;\n  max-width: unset;\n  width: unset;\n}\n","/**\n * Sphinx Copybutton\n * ref: https://sphinx-copybutton.readthedocs.io/\n */\n\ndiv.highlight button.copybtn {\n  // Nicer spacing\n  display: flex;\n  align-items: center;\n  justify-content: center;\n\n  // Removes the button background so we more naturally blend with the code cell.\n  background-color: unset;\n\n  // Don't over-ride the success color\n  &:not(.success) {\n    color: var(--pst-color-muted);\n  }\n  border: none;\n  background-color: var(--pst-color-surface);\n\n  &:hover {\n    &:not(.success) {\n      color: var(--pst-color-text);\n      background-color: var(--pst-color-shadow);\n    }\n  }\n\n  // Tooltip styling\n  &.o-tooltip--left:after {\n    color: var(--pst-color-text);\n    background-color: var(--pst-color-surface);\n  }\n}\n","// adapt ethical ad to the theme\n#ethical-ad-placement {\n  .ethical-sidebar a,\n  .ethical-sidebar a:visited,\n  .ethical-sidebar a:hover,\n  .ethical-sidebar a:active,\n  .ethical-footer a,\n  .ethical-footer a:visited,\n  .ethical-footer a:hover,\n  .ethical-footer a:active {\n    color: var(--pst-color-text-base);\n  }\n\n  .ethical-sidebar,\n  .ethical-footer {\n    background-color: var(--pst-color-background);\n    border: 1px solid var(--pst-color-border);\n    border-radius: 5px;\n    color: var(--pst-color-text-base);\n    font-size: 14px;\n    line-height: 20px;\n  }\n}\n","/**\n * Styles for various Sphinx execution libraries.\n * For now, where these define output sections, we simply revert their background\n * to be a \"light theme\" background. This ensures that inputs/outputs behave similarly,\n * because the CSS is often controlled by each package.\n * In the future, we might add dark theme support for specific packages.\n */\n\n/******************************************************************************\n * Jupyter Sphinx\n */\n\n.bd-content div.jupyter_container {\n  // We don't want borders around the whole container, just around code cells\n  border: none;\n  background-color: unset;\n  box-shadow: none;\n\n  // Code cells should have the same style as our other code objects\n  div.output,\n  div.highlight {\n    border-radius: 0.25rem;\n  }\n  div.highlight {\n    background-color: var(--pst-color-surface);\n  }\n\n  // Ensure the style is the same as our code cells. Jupyter Sphinx makes it tiny.\n  .cell_input,\n  .cell_output {\n    border-radius: 0.25rem;\n    pre {\n      padding: 1rem;\n    }\n  }\n}\n","/**\n * Special-cases for packages in the PyData ecosystem\n */\n\n// xarray output display in bootstrap\n.xr-wrap[hidden] {\n  display: block !important;\n}\n","/*******************************************************************************\n* master color map. Only the colors that actually differ between light and dark\n* themes are specified separately.\n*\n* To see the full list of colors see https://www.figma.com/file/rUrrHGhUBBIAAjQ82x6pz9/PyData-Design-system---proposal-for-implementation-(2)?node-id=1234%3A765&t=ifcFT1JtnrSshGfi-1\n*/\n\n/**\n* Function to get items from nested maps\n*/\n// @param {Map} $map - Map\n// @param {Arglist} $keys - Keys to fetch\n// @return {*}\n@function map-deep-get($map, $keys...) {\n  @each $key in $keys {\n    $map: map-get($map, $key);\n  }\n  @return $map;\n}\n\n/* Assign base colors for the PyData theme */\n$color-palette: (\n  // Primary color\n  \"teal\":\n    (\n      \"50\": #f4fbfc,\n      \"100\": #e9f6f8,\n      \"200\": #d0ecf1,\n      \"300\": #abdde6,\n      \"400\": #3fb1c5,\n      \"500\": #0a7d91,\n      \"600\": #085d6c,\n      \"700\": #064752,\n      \"800\": #042c33,\n      \"900\": #021b1f,\n    ),\n  // Secondary color\n  \"violet\":\n    (\n      \"50\": #f4eefb,\n      \"100\": #e0c7ff,\n      \"200\": #d5b4fd,\n      \"300\": #b780ff,\n      \"400\": #9c5ffd,\n      \"500\": #8045e5,\n      \"600\": #6432bd,\n      \"700\": #4b258f,\n      \"800\": #341a61,\n      \"900\": #1e0e39,\n    ),\n  // Neutrals\n  \"gray\":\n    (\n      \"50\": #f9f9fa,\n      \"100\": #f3f4f5,\n      \"200\": #e5e7ea,\n      \"300\": #d1d5da,\n      \"400\": #9ca4af,\n      \"500\": #677384,\n      \"600\": #48566b,\n      \"700\": #29313d,\n      \"800\": #222832,\n      \"900\": #14181e,\n    ),\n  // Accent color\n  \"pink\":\n    (\n      \"50\": #fcf8fd,\n      \"100\": #fcf0fa,\n      \"200\": #f8dff5,\n      \"300\": #f3c7ee,\n      \"400\": #e47fd7,\n      \"500\": #c132af,\n      \"600\": #912583,\n      \"700\": #6e1c64,\n      \"800\": #46123f,\n      \"900\": #2b0b27,\n    ),\n  \"foundation\": (\n    \"white\": #ffffff,\n    // gray-900\n    \"black\": #14181e,\n  )\n);\n\n:root {\n  // Add theme colours to the html root element\n  @each $group-color, $color in $color-palette {\n    @each $color-name, $definition in $color {\n      --pst-#{$group-color}-#{$color-name}: #{$definition};\n    }\n  }\n}\n\n// Static SCSS variables used thoroughout the theme\n// Minimum contrast ratio used for the theme.\n// Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n// 4.5 - is for text that is 14pt or less\n$min-contrast-ratio-4: 4.5;\n// 3 is for text that is 18pt or bold, or for non-text elements\n$min-contrast-ratio-3: 3;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$foundation-black: #14181e;\n$foundation-white: #ffffff;\n// This is a custom - calculated  color between gray 100 and 200 - to reduce\n// the contrast ratio (avoid a jarring effect)\n$base-light-text: #ced6dd;\n// used in sphinx_design - gray 100\n$foundation-light-gray: #f3f4f5;\n// used in sphinx_design - gray 700\n$foundation-muted-gray: #29313d;\n// used in sphinx_design - gray 800\n$foundation-dark-gray: #222832;\n\n$pst-semantic-colors: (\n  \"primary\": (\n    \"light\": #{map-deep-get($color-palette, \"teal\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"teal\", \"200\")},\n    \"dark\": #{map-deep-get($color-palette, \"teal\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"teal\", \"800\")},\n  ),\n  \"secondary\": (\n    \"light\": #{map-deep-get($color-palette, \"violet\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"violet\", \"100\")},\n    \"dark\": #{map-deep-get($color-palette, \"violet\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"violet\", \"800\")},\n  ),\n  \"accent\": (\n    \"light\": #{map-deep-get($color-palette, \"pink\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"pink\", \"200\")},\n    \"dark\": #{map-deep-get($color-palette, \"pink\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"pink\", \"800\")},\n  ),\n  \"info\": (\n    \"light\": #276be9,\n    \"bg-light\": #dce7fc,\n    \"dark\": #79a3f2,\n    \"bg-dark\": #06245d,\n  ),\n  \"warning\": (\n    \"light\": #f66a0a,\n    \"bg-light\": #f8e3d0,\n    \"dark\": #ff9245,\n    \"bg-dark\": #652a02,\n  ),\n  \"success\": (\n    \"light\": #00843f,\n    \"bg-light\": #d6ece1,\n    \"dark\": #5fb488,\n    \"bg-dark\": #002f17,\n  ),\n  // This is is based on the warning color\n  \"attention\":\n    (\n      \"light\": var(--pst-color-warning),\n      \"bg-light\": var(--pst-color-warning-bg),\n      \"dark\": var(--pst-color-warning),\n      \"bg-dark\": var(--pst-color-warning-bg),\n    ),\n  \"danger\": (\n    \"light\": #d72d47,\n    \"bg-light\": #f9e1e4,\n    \"dark\": #e78894,\n    \"bg-dark\": #4e111b,\n  ),\n  \"text-base\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n    \"dark\": $base-light-text,\n  ),\n  \"text-muted\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"600\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"400\")},\n  ),\n  \"heading-color\": (\n    \"light\": #{$foundation-white},\n    \"dark\": #{$foundation-black},\n  ),\n  \"shadow\": (\n    \"light\": rgba(0, 0, 0, 0.1),\n    \"dark\": rgba(0, 0, 0, 0.2),\n  ),\n  \"border\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"300\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"600\")},\n  ),\n  \"border-muted\": (\n    \"light\": rgba(23, 23, 26, 0.2),\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"700\")},\n  ),\n  \"inline-code\": (\n    \"light\": #{map-deep-get($color-palette, \"pink\", \"600\")},\n    \"dark\": #{map-deep-get($color-palette, \"pink\", \"300\")},\n  ),\n  \"inline-code-links\": (\n    // need to make sure there is enough contrast against the code bg\n    \"light\": #{map-deep-get($color-palette, \"teal\", \"600\")},\n    // keep primary color for dark mode\n    \"dark\": #{map-deep-get($color-palette, \"teal\", \"400\")},\n  ),\n  \"target\": (\n    \"light\": #f3cf95,\n    \"dark\": #675c04,\n  ),\n  // DEPTH COLORS - you can see the elevation colours and shades\n  // in the Figma file https://www.figma.com/file/rUrrHGhUBBIAAjQ82x6pz9/PyData-Design-system---proposal-for-implementation-(2)?node-id=1492%3A922&t=sQeQZehkOzposYEg-1\n  // background: color of the canvas / the furthest back layer\n  \"background\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"foundation\", \"white\")},\n      \"dark\": #{map-deep-get($color-palette, \"foundation\", \"black\")},\n    ),\n  // on-background: provides slight contrast against background\n  // (by use of shadows in light theme)\n  \"on-background\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"foundation\", \"white\")},\n      \"dark\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n    ),\n  \"surface\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"100\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"700\")},\n  ),\n  // on_surface: object on top of surface object (without shadows)\n  \"on-surface\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n      \"dark\": $foundation-light-gray,\n    ),\n);\n\n/*******************************************************************************\n* write the color rules for each theme (light/dark)\n*/\n\n/* NOTE:\n * Mixins enable us to reuse the same definitions for the different modes\n * https://sass-lang.com/documentation/at-rules/mixin\n * #{something} inserts a variable into a CSS selector or property name\n * https://sass-lang.com/documentation/interpolation\n */\n@mixin theme-colors($mode) {\n  // check if this color is defined differently for light/dark\n  @each $col-name, $definition in $pst-semantic-colors {\n    @if type-of($definition) == map {\n      @each $key, $val in $definition {\n        @if str-index($key, $mode) != null {\n          // since now we define the bg colours in the semantic colours and not\n          // by changing opacity, we need to check if the key contains bg and the\n          // correct mode (light/dark)\n          @if str-index($key, \"bg\") != null {\n            --pst-color-#{$col-name}-bg: #{$val};\n          } @else {\n            --pst-color-#{$col-name}: #{$val};\n          }\n        }\n      }\n    } @else {\n      --pst-color-#{$col-name}: #{$definition};\n    }\n  }\n\n  // assign the \"duplicate\" colors (ones that just reference other variables)\n  & {\n    --pst-color-link: var(--pst-color-primary);\n    --pst-color-link-hover: var(--pst-color-secondary);\n  }\n  // adapt to light/dark-specific content\n  @if $mode == \"light\" {\n    .only-dark,\n    .only-dark ~ figcaption {\n      display: none !important;\n    }\n  } @else {\n    .only-light,\n    .only-light ~ figcaption {\n      display: none !important;\n    }\n    /* Adjust images in dark mode (unless they have class .only-dark or\n     * .dark-light, in which case assume they're already optimized for dark\n     * mode).\n     */\n    img:not(.only-dark):not(.dark-light) {\n      filter: brightness(0.8) contrast(1.2);\n    }\n    /* Give images a light background in dark mode in case they have\n    *  transparency and black text (unless they have class .only-dark or .dark-light, in\n    *  which case assume they're already optimized for dark mode).\n    */\n    .bd-content img:not(.only-dark):not(.dark-light) {\n      background: rgb(255, 255, 255);\n      border-radius: 0.25rem;\n    }\n    // MathJax SVG outputs should be filled to same color as text.\n    .MathJax_SVG * {\n      fill: var(--pst-color-text-base);\n    }\n  }\n}\n\n/* Defaults to light mode if data-theme is not set */\nhtml:not([data-theme]) {\n  @include theme-colors(\"light\");\n}\n\n/* NOTE: @each {...} is like a for-loop\n * https://sass-lang.com/documentation/at-rules/control/each\n */\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    @include theme-colors($mode);\n    color-scheme: $mode;\n  }\n}\n\n// assign classes too, for runtime use of theme colors\n@each $col-name, $definition in $pst-semantic-colors {\n  .pst-color-#{$col-name} {\n    color: var(--pst-color-#{$col-name});\n  }\n}\n","/*******************************************************************************\n * Special-cases for the sphinx-design library, mainly to make it compatible\n * with the dark/light themes of pydata-sphinx-theme.\n *\n * NOTE: sphinx-design uses !important quite liberally, so here we must do the\n * same for our overrides to have any effect.\n */\n@use \"../variables/color\" as pst-color;\n@use \"sass:meta\";\n@use \"sass:color\";\n\n/*******************************************************************************\n  * Color and variables\n  *\n  * This is a list of the semantic color names from sphinx-design (we only\n  * need to override variables that sphinx-design has actually defined).\n  * https://github.com/executablebooks/sphinx-design/blob/9226a12a/style/_colors.scss#L31-L43\n  */\n$sd-semantic-color-names: (\n  \"primary\",\n  \"secondary\",\n  \"success\",\n  \"info\",\n  \"warning\",\n  \"danger\",\n  \"light\",\n  \"muted\",\n  \"dark\",\n  \"black\",\n  \"white\"\n);\n\n/**\n  * Here we create some extra --pst-color-* variables and use\n  * them to override the value of the corresponding sphinx-design variables.\n  * This is easier than re-writing the sphinx-design rules. Even easier would be\n  * directly assigning our values to the --sd-color-* variables, but then our\n  * downstream users couldn't override *our* colors and have it affect buttons\n  * and badges.\n  *\n  * First, define the extra keys needed to cover the full range of semantic\n  * color names used in sphinx-design, then merge them with the names we\n  * already define for our own needs.\n  * see https://sphinx-design.readthedocs.io/en/latest/css_variables.html\n  */\n$extra-semantic-colors: (\n  \"white\": $foundation-white,\n  \"light\": (\n    light: $foundation-light-gray,\n    bg-light: color.scale($foundation-light-gray, $lightness: 30%),\n    dark: $foundation-light-gray,\n    bg-dark: color.scale($foundation-light-gray, $lightness: -30%),\n  ),\n  \"muted\": (\n    light: $foundation-muted-gray,\n    bg-light: color.scale($foundation-muted-gray, $lightness: 30%),\n    dark: $foundation-light-gray,\n    bg-dark: color.scale($foundation-muted-gray, $lightness: -30%),\n  ),\n  \"dark\": $foundation-dark-gray,\n  \"black\": $foundation-black,\n);\n\n$all-colors: map-merge($pst-semantic-colors, $extra-semantic-colors);\n\n@mixin create-sd-colors($value, $name) {\n  // define the pst variables, so that downstream user overrides will work\n  --pst-color-#{$name}: #{$value};\n  // we are now using a11y-combination to calculate the text color - this is based\n  // on the WCAG color contrast guidelines\n  --pst-color-#{$name}-text: #{a11y-combination($value)};\n  //TODO: highlight seems to be used for buttons @trallard to fix on a11y follow-up work\n  --pst-color-#{$name}-highlight: #{darken($value, 15%)};\n  // override the sphinx-design variables\n  --sd-color-#{$name}: var(--pst-color-#{$name});\n  --sd-color-#{$name}-text: var(--pst-color-#{$name}-text);\n  //TODO: highlight seems to be used for buttons @trallard to fix on a11y follow-up work\n  --sd-color-#{$name}-highlight: var(--pst-color-#{$name}-highlight);\n}\n\n// Now we override the --sd-color-* variables.\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    // check if this color is defined differently for light/dark\n    @each $name in $sd-semantic-color-names {\n      $definition: map-get($all-colors, $name);\n      @if type-of($definition) == map {\n        @each $key, $value in $definition {\n          @if str-index($key, $mode) != null {\n            // since now we define the bg colours in the semantic colours and not\n            // by changing opacity, we need to check if the key contains bg and the\n            // correct mode (light/dark)\n            @if str-index($key, \"bg\") != null {\n              --sd-color-#{$name}-bg: #{$value};\n              // create local variable\n              $bg-var: --sd-color-#{$name}-bg;\n              $value: check-color($value);\n              --sd-color-#{$name}-bg-text: #{a11y-combination($value)};\n            } @else {\n              $value: check-color($value);\n              @include create-sd-colors($value, $name);\n            }\n          }\n        }\n      } @else {\n        $value: map-get($all-colors, $name);\n        @include create-sd-colors($value, $name);\n      }\n    }\n  }\n}\n\n// Make sure the color border variables are set using our variables\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    --sd-color-card-border: var(--pst-color-border);\n  }\n}\n\n/*******************************************************************************\n  * shadows\n  */\nhtml[data-theme=\"light\"] {\n  .sd-shadow-xs,\n  .sd-shadow-sm,\n  .sd-shadow-md,\n  .sd-shadow-lg {\n    @include box-shadow();\n  }\n}\n\n/*******************************************************************************\n  * cards\n  */\n\n.bd-content .sd-card {\n  border: 1px solid var(--pst-color-border);\n\n  // TODO - --pst-color-panel-background is not defined... where is this coming from?\n  .sd-card-header {\n    background-color: var(--pst-color-panel-background);\n    border-bottom: 1px solid var(--pst-color-border);\n  }\n  .sd-card-footer {\n    background-color: var(--pst-color-panel-background);\n    border-top: 1px solid var(--pst-color-border);\n  }\n\n  .sd-card-body {\n    background-color: var(--pst-color-panel-background);\n  }\n}\n/*******************************************************************************\n  * tabs\n  */\n\n.bd-content .sd-tab-set {\n  > input {\n    // Active tab label\n    &:checked + label {\n      border-color: transparent transparent var(--pst-color-primary); // top LR bottom\n      color: var(--pst-color-primary);\n    }\n\n    // Hover label\n    &:not(:checked) + label:hover {\n      border-color: var(--pst-color-secondary);\n      color: var(--pst-color-secondary);\n    }\n  }\n\n  // Tab label\n  > label {\n    color: var(--pst-color-text-muted);\n    border-top: 0.125rem solid transparent; // so hover isn't just color change\n    padding-top: 0.5em; // same as bottom padding, so hover overline looks OK\n    // Hovered label\n    html &:hover {\n      color: var(--pst-color-secondary);\n      border-color: var(--pst-color-secondary);\n    }\n  }\n}\n\n/*******************************************************************************\n* Dropdowns\n*/\n\ndetails.sd-dropdown {\n  // Remove all borders to over-ride SD behavior, and we'll add our own later\n  border: 0px !important;\n  summary.sd-card-header {\n    border: 0 !important;\n    & + div.sd-summary-content {\n      border: 0;\n    }\n  }\n  // Drop shadow should behave same as admonitions\n  @include box-shadow();\n\n  // Header is where the \"clickable\" box goes\n  summary.sd-card-header {\n    display: flex;\n    align-items: center;\n    position: relative; // So background color works\n    font-weight: 600;\n    padding-top: 0.5rem;\n    padding-bottom: 0.5rem;\n\n    // Set a variable that we can re-use for colors later\n    // We must set this in the current and content sibling container\n    // so that it is defined in both places\n    --pst-sd-dropdown-color: var(--pst-gray-500);\n    --pst-sd-dropdown-bg-color: var(--pst-color-surface);\n    & + div.sd-summary-content {\n      --pst-sd-dropdown-color: var(--sd-color-card-border);\n    }\n    @each $name in $sd-semantic-color-names {\n      &.sd-bg-#{$name} {\n        --pst-sd-dropdown-color: var(--sd-color-#{$name});\n        --pst-sd-dropdown-bg-color: var(--sd-color-#{$name}-bg);\n        // Otherwise it won't be defined in the sibling element\n        & + div.sd-summary-content {\n          --pst-sd-dropdown-color: var(--sd-color-#{$name});\n          --pst-sd-dropdown-bg-color: var(--sd-color-#{$name}-bg);\n        }\n      }\n      &.sd-bg-text-#{$name} {\n        // Use the WCAG conformant text color\n        color: var(--sd-color-#{$name}-bg-text) !important;\n      }\n    }\n\n    @include legacy-backdrop-placeholder;\n    background-color: var(--pst-sd-dropdown-bg-color) !important;\n\n    // Add a left border with the same structure as our admonitions\n    border-left: 0.2rem solid var(--pst-sd-dropdown-color) !important;\n    & + div.sd-summary-content {\n      border-left: 0.2rem solid var(--pst-sd-dropdown-color) !important;\n      border-bottom-left-radius: calc(0.25rem - 1px);\n      background-color: var(--pst-color-on-background);\n    }\n    span.sd-summary-icon {\n      display: inline-flex;\n      align-items: center;\n      color: var(--pst-sd-dropdown-color) !important;\n      svg {\n        opacity: 1;\n      }\n    }\n\n    // Positioning of the caret\n    .sd-summary-up,\n    .sd-summary-down {\n      top: 0.7rem;\n    }\n  }\n}\n","/**\n * Sphinx togglebutton\n */\n\n.bd-content {\n  // Admonition toggles\n  .admonition {\n    button.toggle-button {\n      color: inherit;\n    }\n  }\n\n  // Details buttons\n  details.toggle-details {\n    // Over-ride border color to re-use our primary color\n    summary {\n      border-left: 3px solid var(--pst-color-primary);\n    }\n  }\n}\n","/**\n * Styles for various Sphinx execution libraries to display pre-executed notebooks.\n * For now, where these define output sections, we simply revert their background\n * to be a \"light theme\" background. This ensures that inputs/outputs behave similarly,\n * because the CSS is often controlled by each package.\n * In the future, we might add dark theme support for specific packages.\n */\n\n/*******************************************************************************\n * nbsphinx\n */\nhtml div.rendered_html\n// NBsphinx ipywidgets output selector\nhtml .jp-RenderedHTMLCommon {\n  table {\n    table-layout: auto;\n  }\n}\n\n// Dark theme special-cases\nhtml[data-theme=\"dark\"] .bd-content {\n  .nboutput {\n    .output_area.rendered_html {\n      @include cell-output-background;\n    }\n\n    .output_area.stderr {\n      background: var(--pst-color-danger);\n    }\n  }\n}\n\n// Add extra padding to the final item in an nbsphinx container\ndiv.nblast.container {\n  margin-bottom: 1rem;\n}\n\n/*******************************************************************************\n * myst NB\n */\n\ndiv.cell_output .output {\n  max-width: 100%;\n  overflow-x: auto;\n}\n\n// Dark theme special-cases\nhtml[data-theme=\"dark\"] .bd-content {\n  div.cell_output {\n    img,\n    .text_html {\n      @include cell-output-background;\n    }\n  }\n}\n\n// Prevent tables from scrunching together\n.bd-content {\n  div.cell_input {\n    display: flex;\n    flex-direction: column;\n    justify-content: stretch;\n  }\n\n  div.cell_input,\n  div.output {\n    border-radius: $admonition-border-radius;\n  }\n\n  div.output {\n    table {\n      table-layout: auto;\n    }\n  }\n}\n","/**\n * style for the various mapping libs based on leaflet (folium, geemap, ipyleaflet)\n * mainly ensure the good display of the maps in both themes and avoid the customization\n * of the tiles\n */\n\n/**\n * avoid border override from pydata-sphinx-theme\n * minimal selctor to get the priority\n */\nhtml[data-theme=\"dark\"] .bd-content img.leaflet-tile.leaflet-tile-loaded {\n  border-radius: 0;\n  padding: 0;\n}\n","/**\n * /search.html page special-cases\n */\n\n.bd-search-container {\n  /*******************************************\n  * Search results\n  */\n  // Whitespace\n  div#search-results {\n    > h2 {\n      font-size: var(--pst-font-size-icon);\n      margin-top: 0;\n    }\n\n    p.search-summary {\n      color: var(--pst-color-text-muted);\n    }\n  }\n\n  ul.search {\n    margin: 0;\n    list-style: none;\n\n    li {\n      background-image: none;\n      padding: 1rem 0;\n      margin: 1rem 0;\n      border-top: 1px solid var(--pst-color-text-muted);\n\n      // First link is the page title, it should be a bit bigger\n      > a {\n        font-size: 1.2em;\n      }\n\n      div.context,\n      p.context {\n        color: var(--pst-color-text-base);\n        margin: 0.5em 0 0 0;\n\n        // Add a # before page section titles to make it clear they are sections\n        a:before {\n          content: \"#\";\n          padding-right: 0.2em;\n          color: var(--pst-color-text-muted);\n        }\n      }\n    }\n  }\n}\n"],"names":[],"sourceRoot":""}
\ No newline at end of file
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table.dataframe tbody tr:hover{background-color:var(--pst-color-table-row-hover-bg)}html[data-theme=dark] .bd-content .nboutput .output_area.rendered_html:not(:has(table.dataframe)),html[data-theme=dark] .bd-content .nboutput .output_area .widget-subarea{color:var(--pst-color-on-background);background-color:var(--pst-color-text-base);border-radius:.25rem;padding:.5rem}html[data-theme=dark] .bd-content .nboutput .output_area.stderr{background-color:var(--pst-color-danger)}div.nblast.container{margin-bottom:1rem}div.cell_output .output{max-width:100%;overflow-x:auto}.bd-content div.cell_output table.dataframe{color:var(--pst-color-table);border:1px solid var(--pst-color-table-outer-border)}.bd-content div.cell_output table.dataframe th~th,.bd-content div.cell_output table.dataframe th~td,.bd-content div.cell_output table.dataframe td~th,.bd-content div.cell_output table.dataframe td~td{border-left:1px solid var(--pst-color-table-inner-border)}.bd-content div.cell_output table.dataframe thead tr{background-color:var(--pst-color-table-heading-bg);border-bottom:2px solid var(--pst-color-primary)}.bd-content div.cell_output table.dataframe tbody tr:nth-child(odd){background-color:var(--pst-color-table-row-zebra-low-bg)}.bd-content div.cell_output table.dataframe tbody tr:nth-child(even){background-color:var(--pst-color-table-row-zebra-high-bg)}.bd-content div.cell_output table.dataframe tbody tr:hover{background-color:var(--pst-color-table-row-hover-bg)}html[data-theme=dark] .bd-content div.cell_output img,html[data-theme=dark] .bd-content div.cell_output .text_html:not(:has(table.dataframe)),html[data-theme=dark] .bd-content div.cell_output .widget-subarea{color:var(--pst-color-on-background);background-color:var(--pst-color-text-base);border-radius:.25rem;padding:.5rem}.bd-content div.cell_input{display:flex;flex-direction:column;justify-content:stretch}.bd-content div.cell_input,.bd-content div.output{border-radius:.25rem}.bd-content div.output table{table-layout:auto}html[data-theme=dark] .bd-content img.leaflet-tile.leaflet-tile-loaded{border-radius:0;padding:0}.bd-search-container div#search-results>h2{font-size:var(--pst-font-size-icon);margin-top:1rem}.bd-search-container div#search-results p.search-summary{color:var(--pst-color-text-muted)}.bd-search-container ul.search{margin:0;list-style:none}.bd-search-container ul.search li{background-image:none;padding:1rem 0;margin:1rem 0;border-top:1px solid var(--pst-color-text-muted)}.bd-search-container ul.search li>a{font-size:1.2em}.bd-search-container ul.search li div.context,.bd-search-container ul.search li p.context{color:var(--pst-color-text-base);margin:.5em 0 0}.bd-search-container ul.search li div.context a::before,.bd-search-container ul.search li p.context a::before{content:\"#\";padding-right:.2em;color:var(--pst-color-text-muted)}","html {\n  /*****************************************************************************\n  * Overall Layout Variables\n  */\n\n  // Header height will impact the top offset for many sections\n  // Article header is 66% of Header\n  --pst-header-height: 4rem;\n  --pst-header-article-height: calc(var(--pst-header-height) * 2 / 3);\n  --pst-sidebar-secondary: 17rem;\n}\n\n/*******************************************************************************\n* Breakpoints that trigger UI changes\n*\n* Note that media-breakpoint-down begins at the next highest level!\n* So we should choose a media-breakpoint-down one *lower* than when we want to start\n* example: media-breakpoint-up(md) and media-breakpoint-down(sm) trigger at the same time\n* ref: https://github.com/twbs/bootstrap/issues/31214\n*/\n$breakpoint-sidebar-primary: lg; // When we collapse the primary sidebar\n$breakpoint-sidebar-secondary: xl; // When we collapse the secondary sidebar\n$breakpoint-page-width: 88rem; // taken from sphinx-basic-ng, which we are ultimately going to inherit\n\n/*******************************************************************************\n* Define the animation behaviour\n*/\n$animation-time: 200ms;\n\n/*******************************************************************************\n* UI shaping and padding\n*/\n$admonition-border-radius: 0.25rem;\n\n// In this theme, some focus rings have rounded corners while others do not.\n// This variable sets the border radius for the rounded focus rings.\n$focus-ring-radius: 0.125rem; // 2px at 100% zoom and 16px base font.\n\n$navbar-link-padding-y: 0.25rem;\n","html {\n  /*****************************************************************************\n  * Font features used in this theme\n  */\n\n  // base font size - applied at body/html level\n  --pst-font-size-base: 1rem;\n\n  // heading font sizes based on bootstrap sizing\n  --pst-font-size-h1: 2.5rem;\n  --pst-font-size-h2: 2rem;\n  --pst-font-size-h3: 1.75rem;\n  --pst-font-size-h4: 1.5rem;\n  --pst-font-size-h5: 1.25rem;\n  --pst-font-size-h6: 1.1rem;\n\n  // smaller than heading font sizes\n  --pst-font-size-milli: 0.9rem;\n\n  // Sidebar styles\n  --pst-sidebar-font-size: 0.9rem;\n  --pst-sidebar-font-size-mobile: 1.1rem;\n  --pst-sidebar-header-font-size: 1.2rem;\n  --pst-sidebar-header-font-weight: 600;\n\n  // Admonition styles\n  --pst-admonition-font-weight-heading: 600;\n\n  // Font weights\n  --pst-font-weight-caption: 300;\n  --pst-font-weight-heading: 400;\n\n  // Font family\n  // These are adapted from https://systemfontstack.com/ */\n  --pst-font-family-base-system: -apple-system, \"BlinkMacSystemFont\", \"Segoe UI\",\n    \"Helvetica Neue\", \"Arial\", sans-serif, \"Apple Color Emoji\", \"Segoe UI Emoji\",\n    \"Segoe UI Symbol\";\n  --pst-font-family-monospace-system: \"SFMono-Regular\", \"Menlo\", \"Consolas\",\n    \"Monaco\", \"Liberation Mono\", \"Lucida Console\", monospace;\n  --pst-font-family-base: var(--pst-font-family-base-system);\n  --pst-font-family-heading: var(--pst-font-family-base-system);\n  --pst-font-family-monospace: var(--pst-font-family-monospace-system);\n}\n\n$line-height-body: 1.65;\n","html {\n  /*****************************************************************************\n  * Icon\n  */\n\n  // Font size across all icons\n  --pst-font-size-icon: 1.5rem;\n\n  // Font Awesome default icons\n  --pst-icon-check-circle: \"\\f058\"; // fa-solid fa-circle-check\n  --pst-icon-info-circle: \"\\f05a\"; // fa-solid fa-circle-info\n  --pst-icon-exclamation-triangle: \"\\f071\"; // fa-solid fa-triangle-exclamation\n  --pst-icon-exclamation-circle: \"\\f06a\"; // fa-solid fa-circle-exclamation\n  --pst-icon-times-circle: \"\\f057\"; // fa-solid fa-circle-xmark\n  --pst-icon-lightbulb: \"\\f0eb\"; // fa-solid fa-lightbulb\n  --pst-icon-download: \"\\f019\"; // fa-solid fa-download\n  --pst-icon-angle-left: \"\\f104\"; // fa-solid fa-angle-left\n  --pst-icon-angle-right: \"\\f105\"; // fa-solid fa-angle-right\n  --pst-icon-external-link: \"\\f35d\"; // fa-solid fa-up-right-from-square\n  --pst-icon-search-minus: \"\\f010\"; // fa-solid fa-magnifying-glass-minus\n  --pst-icon-github: \"\\f09b\"; // fa-brands fa-github\n  --pst-icon-gitlab: \"\\f296\"; // fa-brands fa-gitlab\n  --pst-icon-share: \"\\f064\"; // fa-solid fa-share\n  --pst-icon-bell: \"\\f0f3\"; // fa-solid fa-bell\n  --pst-icon-pencil: \"\\f303\"; // fa-solid fa-pencil\n\n  // Bootstrap icons\n  --pst-breadcrumb-divider: \"\\f105\";\n}\n","html {\n  /*****************************************************************************\n  * Admonitions\n  **/\n\n  --pst-icon-admonition-default: var(--pst-icon-bell);\n  --pst-icon-admonition-note: var(--pst-icon-info-circle);\n  --pst-icon-admonition-attention: var(--pst-icon-exclamation-circle);\n  --pst-icon-admonition-caution: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-warning: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-danger: var(--pst-icon-exclamation-triangle);\n  --pst-icon-admonition-error: var(--pst-icon-times-circle);\n  --pst-icon-admonition-hint: var(--pst-icon-lightbulb);\n  --pst-icon-admonition-tip: var(--pst-icon-lightbulb);\n  --pst-icon-admonition-important: var(--pst-icon-exclamation-circle);\n  --pst-icon-admonition-seealso: var(--pst-icon-share);\n  --pst-icon-admonition-todo: var(--pst-icon-pencil);\n}\n","html {\n  /*****************************************************************************\n  * versionmodified\n  **/\n\n  --pst-icon-versionmodified-default: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-added: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-changed: var(--pst-icon-exclamation-circle);\n  --pst-icon-versionmodified-deprecated: var(--pst-icon-exclamation-circle);\n}\n","html {\n  font-size: var(--pst-font-size-base);\n  scroll-padding-top: calc(var(--pst-header-height) + 1rem);\n}\n\nbody {\n  background-color: var(--pst-color-background);\n  font-family: var(--pst-font-family-base);\n  font-weight: 400;\n  line-height: $line-height-body;\n  color: var(--pst-color-text-base);\n  min-height: 100vh;\n  display: flex;\n  flex-direction: column;\n\n  // hack to avoid the black background on some browser including Safari\n  &::-webkit-scrollbar-track {\n    background-color: var(--pst-color-background);\n  }\n}\n\np {\n  margin-bottom: 1.15rem;\n  font-size: 1em;\n\n  /* section header in docstring pages */\n  &.rubric {\n    border-bottom: 1px solid var(--pst-color-border);\n  }\n\n  &.centered {\n    text-align: center;\n  }\n}\n\na {\n  @include link-style-default;\n\n  // The # anchor that appears on hover over headings\n  &.headerlink {\n    color: var(--pst-color-secondary);\n    opacity: 0.7;\n    font-size: 0.8em;\n    padding: 0 4px;\n    margin-left: 0.2em;\n    text-decoration: none;\n    transition: all 0.2s ease-out;\n    user-select: none;\n\n    &:hover {\n      opacity: 1;\n    }\n  }\n\n  // set up a icon next to the shorten links from github and gitlab\n  &.github,\n  &.gitlab {\n    &::before {\n      color: var(--pst-color-text-muted);\n      font: var(--fa-font-brands);\n      margin-right: 0.25rem;\n    }\n  }\n\n  &.github::before {\n    content: var(--pst-icon-github);\n  }\n\n  &.gitlab::before {\n    content: var(--pst-icon-gitlab);\n  }\n}\n\n%heading-style {\n  margin: 2.75rem 0 1.05rem;\n  font-family: var(--pst-font-family-heading);\n  font-weight: var(--pst-font-weight-heading);\n  line-height: 1.15;\n}\n\nh1 {\n  @extend %heading-style;\n\n  margin-top: 0;\n  font-size: var(--pst-font-size-h1);\n  color: var(--pst-heading-color);\n}\n\nh2 {\n  @extend %heading-style;\n\n  font-size: var(--pst-font-size-h2);\n  color: var(--pst-heading-color);\n}\n\nh3 {\n  @extend %heading-style;\n\n  font-size: var(--pst-font-size-h3);\n  color: var(--pst-heading-color);\n}\n\nh4 {\n  @extend %heading-style;\n\n  font-size: var(--pst-font-size-h4);\n  color: var(--pst-heading-color);\n}\n\nh5 {\n  @extend %heading-style;\n\n  font-size: var(--pst-font-size-h5);\n  color: var(--pst-color-text-base);\n}\n\nh6 {\n  @extend %heading-style;\n\n  font-size: var(--pst-font-size-h6);\n  color: var(--pst-color-text-base);\n}\n\nsmall,\n.text_small {\n  font-size: var(--pst-font-size-milli);\n}\n\nhr {\n  border: 0;\n  border-top: 1px solid var(--pst-color-border);\n}\n\npre,\ncode,\nkbd,\nsamp {\n  font-family: var(--pst-font-family-monospace);\n}\n\nkbd {\n  // use theme negative\n  background-color: var(--pst-color-on-background);\n  color: var(--pst-color-text-muted);\n\n  // Compound keyboard elements will have nested kbd in them, so this prevents double lines\n  &:not(.compound) {\n    border: 1px solid var(--pst-color-border);\n    margin: 0 0.1rem;\n    padding: 0.1rem 0.4rem;\n    box-shadow: 1px 1px 1px var(--pst-color-shadow);\n  }\n}\n\ncode {\n  color: var(--pst-color-inline-code);\n}\n\npre {\n  margin: 1.5em 0;\n  padding: 1rem;\n  background-color: var(--pst-color-surface);\n  color: var(--pst-color-text-base);\n  line-height: 1.2em;\n  border: 1px solid var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n\n  .linenos {\n    // minimum opacity to make the line numbers WCAG AA conformant\n    opacity: 0.8;\n    padding-right: 10px;\n  }\n}\n\n// the back to top btn\n#pst-back-to-top {\n  z-index: $zindex-tooltip;\n  position: fixed;\n  display: none;\n  top: 90vh;\n  left: 50vw;\n  transform: translate(-50%);\n  color: var(--pst-color-secondary-text);\n  background-color: var(--pst-color-secondary);\n  border: none;\n\n  .fa-arrow-up {\n    // Using margin instead of a space character prevents the space between the\n    // icon and the text from being underlined when the button is hovered.\n    margin-inline-end: 0.5em;\n  }\n\n  &:hover {\n    @include link-style-hover;\n\n    text-decoration-thickness: 1px;\n    background-color: var(--pst-violet-600);\n    color: var(--pst-color-secondary-text);\n  }\n\n  &:focus-visible {\n    box-shadow: none;\n    outline: $focus-ring-outline;\n    outline-color: var(--pst-color-secondary);\n    outline-offset: $focus-ring-width;\n  }\n}\n\n// Focus ring\n// ----------\n// Note: The Bootstrap stylesheet provides the focus ring (customized by this\n// theme via Sass variables in _bootstrap.scss) in some cases. This rule covers\n// all other cases.\n:focus-visible {\n  outline: $focus-ring-outline;\n  box-shadow: none; // override Bootstrap\n}\n","// Consistent styling for links\n// ============================\n\n@use \"sass:string\";\n\n// Define some useful variables for links styling consistency\n\n// The default thickness of the underline for links will be either:\n//  - 1px\n//  - 0.0625rem if it's thicker than 1px because the user has changed the text\n//    size in their browser\n$link-underline-thickness: string.unquote(\"max(1px, .0625rem)\") !default;\n\n// Offset of link underlines from text baseline\n// The default is 3px expressed as ems, as calculated against the default body\n// font size (on desktop).\n$link-underline-offset: 0.1578em !default;\n\n// Thickness of link underlines in hover state\n// The default for each link will be the thickest of the following:\n//  - 3px\n//  - 0.1875rem, if it's thicker than 3px because the user has changed the text\n//    size in their browser\n//  - 0.12em (relative to the link's text size)\n$link-hover-decoration-thickness: string.unquote(\n  \"max(3px, .1875rem, .12em)\"\n) !default;\n\n// Ensures links have an underline decoration by default - needed to meet\n// WCAG SC 1.4.1\n@mixin link-decoration {\n  text-decoration: underline;\n\n  @if $link-underline-thickness {\n    text-decoration-thickness: $link-underline-thickness;\n  }\n\n  @if $link-underline-offset {\n    text-underline-offset: $link-underline-offset;\n  }\n}\n\n// Ensures links have an underline decoration on hover - distinct from the\n// default behaviour\n@mixin link-decoration-hover {\n  @if $link-hover-decoration-thickness {\n    text-decoration-thickness: $link-hover-decoration-thickness;\n\n    // Disable ink skipping on underlines on hover.\n    text-decoration-skip-ink: none;\n  }\n}\n\n// Simple hover style - can be used alone or in conjunction with other mixins\n// Add the text underline and change in thickness on hover.\n// Intended for use with the `:hover` pseudo-class.\n@mixin link-style-hover {\n  @include link-decoration;\n  @include link-decoration-hover;\n\n  color: var(--pst-color-link-hover);\n}\n\n// Default link styles\n// -------------------\n// Defines: default unvisited, visited, hover, and active.\n// TODO: @trallard to improve focus styles in subsequent PR\n@mixin link-style-default {\n  // So that really long links don't spill out of their container\n  word-wrap: break-word;\n  color: var(--pst-color-link);\n\n  @include link-decoration;\n\n  &:hover {\n    color: var(--pst-color-link-hover);\n\n    @include link-decoration-hover;\n  }\n\n  // TODO: @trallard to add active styles in subsequent PR\n  &:active {\n    color: var(--pst-color-link);\n  }\n\n  // Visited should still be hoverable\n  &:visited {\n    color: var(--pst-color-link);\n\n    &:hover {\n      color: var(--pst-color-link-hover);\n    }\n  }\n}\n\n// Text link styles\n// ----------------\n// Makes links use the muted text colour and removes the underline.\n// Use this mixin for navigation bar links.\n@mixin link-style-text {\n  color: var(--pst-color-text-muted);\n  text-decoration: none;\n\n  &:hover {\n    color: var(--pst-color-link-hover);\n\n    @include link-decoration;\n    @include link-decoration-hover;\n  }\n}\n\n// Sidebar and TOC links\n// ---------------------\n// Makes links use the muted text colour and removes the underline.\n// Use this mixin for navigation the primary sidebar and table of contents.\n// Active and hover should work together rather than one overriding the other.\n@mixin link-sidebar {\n  color: var(--pst-color-text-muted);\n  text-decoration: none;\n\n  &:hover {\n    text-decoration: underline;\n    background-color: transparent;\n    color: var(--pst-color-link-hover);\n\n    @include link-decoration-hover;\n  }\n\n  // TODO: @trallard to update active styles in subsequent PR\n  &:active {\n    color: var(--pst-color-link-hover);\n  }\n\n  &:focus-visible {\n    box-shadow: $focus-ring-box-shadow;\n    outline: none;\n    z-index: 10; // keep focus ring on top (prevent the link-sidebar-current notch from lying on top of the ring)\n  }\n}\n\n// Sidebar current page link styles\n// --------------------------------\n// Adds a vertical line on the left hand side of the link to indicate that\n// it's the current page. Note this is distinct from an active state.\n// Used on the primary sidebar and the TOC.\n// We want the side box shadow to have the same thickness as the hover underline\n@mixin link-sidebar-current {\n  font-weight: 600;\n  color: var(--pst-color-primary);\n\n  @if $link-hover-decoration-thickness {\n    $notch-shadow: inset\n      $link-hover-decoration-thickness\n      0\n      0\n      var(--pst-color-primary);\n\n    box-shadow: $notch-shadow;\n\n    &:focus-visible {\n      box-shadow: $notch-shadow, $focus-ring-box-shadow;\n      outline: none;\n    }\n  }\n}\n\n// Heaver navbar text and icon links\n// ---------------------------------\n// (includes light/dark mode button)\n\n// This mixin makes it possible to show hover/underline and focus/ring styles at\n// the same time. The trick is to use:\n//    - a pseudo-element with bottom border for the hover underline\n//    - a CSS outline for the focus ring.\n\n// Normally we use box-shadow for underline and outline for focus ring. But we\n// cannot apply box-shadow and outline together on the same element because the\n// border-radius value that we use to round the outline will also round the\n// box-shadow used for the underline. We also cannot use text-underline because\n// it does not work on non-text links, nor do we want to use it on text links\n// that we want to treat as blocks, such as the header nav links because the\n// underline will wrap across two lines if the link text also wraps across two\n// lines.\n@mixin link-style-block {\n  color: var(--pst-color-text-muted);\n\n  // Set position relative so that the child ::before pseudo-element's absolute\n  // position is relative to this element.\n  position: relative;\n\n  // Set up pseudo-element used for hover underline styles\n  &::before {\n    content: \"\";\n    display: block;\n    position: absolute;\n    inset: 0;\n    background-color: transparent;\n\n    @if $link-hover-decoration-thickness {\n      bottom: calc(-1 * $link-hover-decoration-thickness);\n      margin: $link-hover-decoration-thickness 0;\n    }\n  }\n\n  &:hover {\n    color: var(--pst-color-secondary);\n    text-decoration: none; // override the link-style-hover mixin\n    &::before {\n      @if $link-hover-decoration-thickness {\n        border-bottom: $link-hover-decoration-thickness\n          solid\n          var(--pst-color-secondary);\n      }\n    }\n  }\n\n  &:focus-visible {\n    box-shadow: none; // override Bootstrap\n    outline: 3px solid var(--pst-color-accent);\n    outline-offset: 3px;\n  }\n}\n","// Variables\n//\n// Variables should follow the `$component-state-property-size` formula for\n// consistent naming. Ex: $nav-link-disabled-color and $modal-content-box-shadow-xs.\n\n// Color system\n\n// scss-docs-start gray-color-variables\n$white:    #fff !default;\n$gray-100: #f8f9fa !default;\n$gray-200: #e9ecef !default;\n$gray-300: #dee2e6 !default;\n$gray-400: #ced4da !default;\n$gray-500: #adb5bd !default;\n$gray-600: #6c757d !default;\n$gray-700: #495057 !default;\n$gray-800: #343a40 !default;\n$gray-900: #212529 !default;\n$black:    #000 !default;\n// scss-docs-end gray-color-variables\n\n// fusv-disable\n// scss-docs-start gray-colors-map\n$grays: (\n  \"100\": $gray-100,\n  \"200\": $gray-200,\n  \"300\": $gray-300,\n  \"400\": $gray-400,\n  \"500\": $gray-500,\n  \"600\": $gray-600,\n  \"700\": $gray-700,\n  \"800\": $gray-800,\n  \"900\": $gray-900\n) !default;\n// scss-docs-end gray-colors-map\n// fusv-enable\n\n// scss-docs-start color-variables\n$blue:    #0d6efd !default;\n$indigo:  #6610f2 !default;\n$purple:  #6f42c1 !default;\n$pink:    #d63384 !default;\n$red:     #dc3545 !default;\n$orange:  #fd7e14 !default;\n$yellow:  #ffc107 !default;\n$green:   #198754 !default;\n$teal:    #20c997 !default;\n$cyan:    #0dcaf0 !default;\n// scss-docs-end color-variables\n\n// scss-docs-start colors-map\n$colors: (\n  \"blue\":       $blue,\n  \"indigo\":     $indigo,\n  \"purple\":     $purple,\n  \"pink\":       $pink,\n  \"red\":        $red,\n  \"orange\":     $orange,\n  \"yellow\":     $yellow,\n  \"green\":      $green,\n  \"teal\":       $teal,\n  \"cyan\":       $cyan,\n  \"black\":      $black,\n  \"white\":      $white,\n  \"gray\":       $gray-600,\n  \"gray-dark\":  $gray-800\n) !default;\n// scss-docs-end colors-map\n\n// The contrast ratio to reach against white, to determine if color changes from \"light\" to \"dark\". Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n$min-contrast-ratio:   4.5 !default;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$color-contrast-dark:      $black !default;\n$color-contrast-light:     $white !default;\n\n// fusv-disable\n$blue-100: tint-color($blue, 80%) !default;\n$blue-200: tint-color($blue, 60%) !default;\n$blue-300: tint-color($blue, 40%) !default;\n$blue-400: tint-color($blue, 20%) !default;\n$blue-500: $blue !default;\n$blue-600: shade-color($blue, 20%) !default;\n$blue-700: shade-color($blue, 40%) !default;\n$blue-800: shade-color($blue, 60%) !default;\n$blue-900: shade-color($blue, 80%) !default;\n\n$indigo-100: tint-color($indigo, 80%) !default;\n$indigo-200: tint-color($indigo, 60%) !default;\n$indigo-300: tint-color($indigo, 40%) !default;\n$indigo-400: tint-color($indigo, 20%) !default;\n$indigo-500: $indigo !default;\n$indigo-600: shade-color($indigo, 20%) !default;\n$indigo-700: shade-color($indigo, 40%) !default;\n$indigo-800: shade-color($indigo, 60%) !default;\n$indigo-900: shade-color($indigo, 80%) !default;\n\n$purple-100: tint-color($purple, 80%) !default;\n$purple-200: tint-color($purple, 60%) !default;\n$purple-300: tint-color($purple, 40%) !default;\n$purple-400: tint-color($purple, 20%) !default;\n$purple-500: $purple !default;\n$purple-600: shade-color($purple, 20%) !default;\n$purple-700: shade-color($purple, 40%) !default;\n$purple-800: shade-color($purple, 60%) !default;\n$purple-900: shade-color($purple, 80%) !default;\n\n$pink-100: tint-color($pink, 80%) !default;\n$pink-200: tint-color($pink, 60%) !default;\n$pink-300: tint-color($pink, 40%) !default;\n$pink-400: tint-color($pink, 20%) !default;\n$pink-500: $pink !default;\n$pink-600: shade-color($pink, 20%) !default;\n$pink-700: shade-color($pink, 40%) !default;\n$pink-800: shade-color($pink, 60%) !default;\n$pink-900: shade-color($pink, 80%) !default;\n\n$red-100: tint-color($red, 80%) !default;\n$red-200: tint-color($red, 60%) !default;\n$red-300: tint-color($red, 40%) !default;\n$red-400: tint-color($red, 20%) !default;\n$red-500: $red !default;\n$red-600: shade-color($red, 20%) !default;\n$red-700: shade-color($red, 40%) !default;\n$red-800: shade-color($red, 60%) !default;\n$red-900: shade-color($red, 80%) !default;\n\n$orange-100: tint-color($orange, 80%) !default;\n$orange-200: tint-color($orange, 60%) !default;\n$orange-300: tint-color($orange, 40%) !default;\n$orange-400: tint-color($orange, 20%) !default;\n$orange-500: $orange !default;\n$orange-600: shade-color($orange, 20%) !default;\n$orange-700: shade-color($orange, 40%) !default;\n$orange-800: shade-color($orange, 60%) !default;\n$orange-900: shade-color($orange, 80%) !default;\n\n$yellow-100: tint-color($yellow, 80%) !default;\n$yellow-200: tint-color($yellow, 60%) !default;\n$yellow-300: tint-color($yellow, 40%) !default;\n$yellow-400: tint-color($yellow, 20%) !default;\n$yellow-500: $yellow !default;\n$yellow-600: shade-color($yellow, 20%) !default;\n$yellow-700: shade-color($yellow, 40%) !default;\n$yellow-800: shade-color($yellow, 60%) !default;\n$yellow-900: shade-color($yellow, 80%) !default;\n\n$green-100: tint-color($green, 80%) !default;\n$green-200: tint-color($green, 60%) !default;\n$green-300: tint-color($green, 40%) !default;\n$green-400: tint-color($green, 20%) !default;\n$green-500: $green !default;\n$green-600: shade-color($green, 20%) !default;\n$green-700: shade-color($green, 40%) !default;\n$green-800: shade-color($green, 60%) !default;\n$green-900: shade-color($green, 80%) !default;\n\n$teal-100: tint-color($teal, 80%) !default;\n$teal-200: tint-color($teal, 60%) !default;\n$teal-300: tint-color($teal, 40%) !default;\n$teal-400: tint-color($teal, 20%) !default;\n$teal-500: $teal !default;\n$teal-600: shade-color($teal, 20%) !default;\n$teal-700: shade-color($teal, 40%) !default;\n$teal-800: shade-color($teal, 60%) !default;\n$teal-900: shade-color($teal, 80%) !default;\n\n$cyan-100: tint-color($cyan, 80%) !default;\n$cyan-200: tint-color($cyan, 60%) !default;\n$cyan-300: tint-color($cyan, 40%) !default;\n$cyan-400: tint-color($cyan, 20%) !default;\n$cyan-500: $cyan !default;\n$cyan-600: shade-color($cyan, 20%) !default;\n$cyan-700: shade-color($cyan, 40%) !default;\n$cyan-800: shade-color($cyan, 60%) !default;\n$cyan-900: shade-color($cyan, 80%) !default;\n\n$blues: (\n  \"blue-100\": $blue-100,\n  \"blue-200\": $blue-200,\n  \"blue-300\": $blue-300,\n  \"blue-400\": $blue-400,\n  \"blue-500\": $blue-500,\n  \"blue-600\": $blue-600,\n  \"blue-700\": $blue-700,\n  \"blue-800\": $blue-800,\n  \"blue-900\": $blue-900\n) !default;\n\n$indigos: (\n  \"indigo-100\": $indigo-100,\n  \"indigo-200\": $indigo-200,\n  \"indigo-300\": $indigo-300,\n  \"indigo-400\": $indigo-400,\n  \"indigo-500\": $indigo-500,\n  \"indigo-600\": $indigo-600,\n  \"indigo-700\": $indigo-700,\n  \"indigo-800\": $indigo-800,\n  \"indigo-900\": $indigo-900\n) !default;\n\n$purples: (\n  \"purple-100\": $purple-100,\n  \"purple-200\": $purple-200,\n  \"purple-300\": $purple-300,\n  \"purple-400\": $purple-400,\n  \"purple-500\": $purple-500,\n  \"purple-600\": $purple-600,\n  \"purple-700\": $purple-700,\n  \"purple-800\": $purple-800,\n  \"purple-900\": $purple-900\n) !default;\n\n$pinks: (\n  \"pink-100\": $pink-100,\n  \"pink-200\": $pink-200,\n  \"pink-300\": $pink-300,\n  \"pink-400\": $pink-400,\n  \"pink-500\": $pink-500,\n  \"pink-600\": $pink-600,\n  \"pink-700\": $pink-700,\n  \"pink-800\": $pink-800,\n  \"pink-900\": $pink-900\n) !default;\n\n$reds: (\n  \"red-100\": $red-100,\n  \"red-200\": $red-200,\n  \"red-300\": $red-300,\n  \"red-400\": $red-400,\n  \"red-500\": $red-500,\n  \"red-600\": $red-600,\n  \"red-700\": $red-700,\n  \"red-800\": $red-800,\n  \"red-900\": $red-900\n) !default;\n\n$oranges: (\n  \"orange-100\": $orange-100,\n  \"orange-200\": $orange-200,\n  \"orange-300\": $orange-300,\n  \"orange-400\": $orange-400,\n  \"orange-500\": $orange-500,\n  \"orange-600\": $orange-600,\n  \"orange-700\": $orange-700,\n  \"orange-800\": $orange-800,\n  \"orange-900\": $orange-900\n) !default;\n\n$yellows: (\n  \"yellow-100\": $yellow-100,\n  \"yellow-200\": $yellow-200,\n  \"yellow-300\": $yellow-300,\n  \"yellow-400\": $yellow-400,\n  \"yellow-500\": $yellow-500,\n  \"yellow-600\": $yellow-600,\n  \"yellow-700\": $yellow-700,\n  \"yellow-800\": $yellow-800,\n  \"yellow-900\": $yellow-900\n) !default;\n\n$greens: (\n  \"green-100\": $green-100,\n  \"green-200\": $green-200,\n  \"green-300\": $green-300,\n  \"green-400\": $green-400,\n  \"green-500\": $green-500,\n  \"green-600\": $green-600,\n  \"green-700\": $green-700,\n  \"green-800\": $green-800,\n  \"green-900\": $green-900\n) !default;\n\n$teals: (\n  \"teal-100\": $teal-100,\n  \"teal-200\": $teal-200,\n  \"teal-300\": $teal-300,\n  \"teal-400\": $teal-400,\n  \"teal-500\": $teal-500,\n  \"teal-600\": $teal-600,\n  \"teal-700\": $teal-700,\n  \"teal-800\": $teal-800,\n  \"teal-900\": $teal-900\n) !default;\n\n$cyans: (\n  \"cyan-100\": $cyan-100,\n  \"cyan-200\": $cyan-200,\n  \"cyan-300\": $cyan-300,\n  \"cyan-400\": $cyan-400,\n  \"cyan-500\": $cyan-500,\n  \"cyan-600\": $cyan-600,\n  \"cyan-700\": $cyan-700,\n  \"cyan-800\": $cyan-800,\n  \"cyan-900\": $cyan-900\n) !default;\n// fusv-enable\n\n// scss-docs-start theme-color-variables\n$primary:       $blue !default;\n$secondary:     $gray-600 !default;\n$success:       $green !default;\n$info:          $cyan !default;\n$warning:       $yellow !default;\n$danger:        $red !default;\n$light:         $gray-100 !default;\n$dark:          $gray-900 !default;\n// scss-docs-end theme-color-variables\n\n// scss-docs-start theme-colors-map\n$theme-colors: (\n  \"primary\":    $primary,\n  \"secondary\":  $secondary,\n  \"success\":    $success,\n  \"info\":       $info,\n  \"warning\":    $warning,\n  \"danger\":     $danger,\n  \"light\":      $light,\n  \"dark\":       $dark\n) !default;\n// scss-docs-end theme-colors-map\n\n// scss-docs-start theme-text-variables\n$primary-text-emphasis:   shade-color($primary, 60%) !default;\n$secondary-text-emphasis: shade-color($secondary, 60%) !default;\n$success-text-emphasis:   shade-color($success, 60%) !default;\n$info-text-emphasis:      shade-color($info, 60%) !default;\n$warning-text-emphasis:   shade-color($warning, 60%) !default;\n$danger-text-emphasis:    shade-color($danger, 60%) !default;\n$light-text-emphasis:     $gray-700 !default;\n$dark-text-emphasis:      $gray-700 !default;\n// scss-docs-end theme-text-variables\n\n// scss-docs-start theme-bg-subtle-variables\n$primary-bg-subtle:       tint-color($primary, 80%) !default;\n$secondary-bg-subtle:     tint-color($secondary, 80%) !default;\n$success-bg-subtle:       tint-color($success, 80%) !default;\n$info-bg-subtle:          tint-color($info, 80%) !default;\n$warning-bg-subtle:       tint-color($warning, 80%) !default;\n$danger-bg-subtle:        tint-color($danger, 80%) !default;\n$light-bg-subtle:         mix($gray-100, $white) !default;\n$dark-bg-subtle:          $gray-400 !default;\n// scss-docs-end theme-bg-subtle-variables\n\n// scss-docs-start theme-border-subtle-variables\n$primary-border-subtle:   tint-color($primary, 60%) !default;\n$secondary-border-subtle: tint-color($secondary, 60%) !default;\n$success-border-subtle:   tint-color($success, 60%) !default;\n$info-border-subtle:      tint-color($info, 60%) !default;\n$warning-border-subtle:   tint-color($warning, 60%) !default;\n$danger-border-subtle:    tint-color($danger, 60%) !default;\n$light-border-subtle:     $gray-200 !default;\n$dark-border-subtle:      $gray-500 !default;\n// scss-docs-end theme-border-subtle-variables\n\n// Characters which are escaped by the escape-svg function\n$escaped-characters: (\n  (\"<\", \"%3c\"),\n  (\">\", \"%3e\"),\n  (\"#\", \"%23\"),\n  (\"(\", \"%28\"),\n  (\")\", \"%29\"),\n) !default;\n\n// Options\n//\n// Quickly modify global styling by enabling or disabling optional features.\n\n$enable-caret:                true !default;\n$enable-rounded:              true !default;\n$enable-shadows:              false !default;\n$enable-gradients:            false !default;\n$enable-transitions:          true !default;\n$enable-reduced-motion:       true !default;\n$enable-smooth-scroll:        true !default;\n$enable-grid-classes:         true !default;\n$enable-container-classes:    true !default;\n$enable-cssgrid:              false !default;\n$enable-button-pointers:      true !default;\n$enable-rfs:                  true !default;\n$enable-validation-icons:     true !default;\n$enable-negative-margins:     false !default;\n$enable-deprecation-messages: true !default;\n$enable-important-utilities:  true !default;\n\n$enable-dark-mode:            true !default;\n$color-mode-type:             data !default; // `data` or `media-query`\n\n// Prefix for :root CSS variables\n\n$variable-prefix:             bs- !default; // Deprecated in v5.2.0 for the shorter `$prefix`\n$prefix:                      $variable-prefix !default;\n\n// Gradient\n//\n// The gradient which is added to components if `$enable-gradients` is `true`\n// This gradient is also added to elements with `.bg-gradient`\n// scss-docs-start variable-gradient\n$gradient: linear-gradient(180deg, rgba($white, .15), rgba($white, 0)) !default;\n// scss-docs-end variable-gradient\n\n// Spacing\n//\n// Control the default styling of most Bootstrap elements by modifying these\n// variables. Mostly focused on spacing.\n// You can add more entries to the $spacers map, should you need more variation.\n\n// scss-docs-start spacer-variables-maps\n$spacer: 1rem !default;\n$spacers: (\n  0: 0,\n  1: $spacer * .25,\n  2: $spacer * .5,\n  3: $spacer,\n  4: $spacer * 1.5,\n  5: $spacer * 3,\n) !default;\n// scss-docs-end spacer-variables-maps\n\n// Position\n//\n// Define the edge positioning anchors of the position utilities.\n\n// scss-docs-start position-map\n$position-values: (\n  0: 0,\n  50: 50%,\n  100: 100%\n) !default;\n// scss-docs-end position-map\n\n// Body\n//\n// Settings for the `<body>` element.\n\n$body-text-align:           null !default;\n$body-color:                $gray-900 !default;\n$body-bg:                   $white !default;\n\n$body-secondary-color:      rgba($body-color, .75) !default;\n$body-secondary-bg:         $gray-200 !default;\n\n$body-tertiary-color:       rgba($body-color, .5) !default;\n$body-tertiary-bg:          $gray-100 !default;\n\n$body-emphasis-color:       $black !default;\n\n// Links\n//\n// Style anchor elements.\n\n$link-color:                              $primary !default;\n$link-decoration:                         underline !default;\n$link-shade-percentage:                   20% !default;\n$link-hover-color:                        shift-color($link-color, $link-shade-percentage) !default;\n$link-hover-decoration:                   null !default;\n\n$stretched-link-pseudo-element:           after !default;\n$stretched-link-z-index:                  1 !default;\n\n// Icon links\n// scss-docs-start icon-link-variables\n$icon-link-gap:               .375rem !default;\n$icon-link-underline-offset:  .25em !default;\n$icon-link-icon-size:         1em !default;\n$icon-link-icon-transition:   .2s ease-in-out transform !default;\n$icon-link-icon-transform:    translate3d(.25em, 0, 0) !default;\n// scss-docs-end icon-link-variables\n\n// Paragraphs\n//\n// Style p element.\n\n$paragraph-margin-bottom:   1rem !default;\n\n\n// Grid breakpoints\n//\n// Define the minimum dimensions at which your layout will change,\n// adapting to different screen sizes, for use in media queries.\n\n// scss-docs-start grid-breakpoints\n$grid-breakpoints: (\n  xs: 0,\n  sm: 576px,\n  md: 768px,\n  lg: 992px,\n  xl: 1200px,\n  xxl: 1400px\n) !default;\n// scss-docs-end grid-breakpoints\n\n@include _assert-ascending($grid-breakpoints, \"$grid-breakpoints\");\n@include _assert-starts-at-zero($grid-breakpoints, \"$grid-breakpoints\");\n\n\n// Grid containers\n//\n// Define the maximum width of `.container` for different screen sizes.\n\n// scss-docs-start container-max-widths\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1140px,\n  xxl: 1320px\n) !default;\n// scss-docs-end container-max-widths\n\n@include _assert-ascending($container-max-widths, \"$container-max-widths\");\n\n\n// Grid columns\n//\n// Set the number of columns and specify the width of the gutters.\n\n$grid-columns:                12 !default;\n$grid-gutter-width:           1.5rem !default;\n$grid-row-columns:            6 !default;\n\n// Container padding\n\n$container-padding-x: $grid-gutter-width !default;\n\n\n// Components\n//\n// Define common padding and border radius sizes and more.\n\n// scss-docs-start border-variables\n$border-width:                1px !default;\n$border-widths: (\n  1: 1px,\n  2: 2px,\n  3: 3px,\n  4: 4px,\n  5: 5px\n) !default;\n$border-style:                solid !default;\n$border-color:                $gray-300 !default;\n$border-color-translucent:    rgba($black, .175) !default;\n// scss-docs-end border-variables\n\n// scss-docs-start border-radius-variables\n$border-radius:               .375rem !default;\n$border-radius-sm:            .25rem !default;\n$border-radius-lg:            .5rem !default;\n$border-radius-xl:            1rem !default;\n$border-radius-xxl:           2rem !default;\n$border-radius-pill:          50rem !default;\n// scss-docs-end border-radius-variables\n// fusv-disable\n$border-radius-2xl:           $border-radius-xxl !default; // Deprecated in v5.3.0\n// fusv-enable\n\n// scss-docs-start box-shadow-variables\n$box-shadow:                  0 .5rem 1rem rgba($black, .15) !default;\n$box-shadow-sm:               0 .125rem .25rem rgba($black, .075) !default;\n$box-shadow-lg:               0 1rem 3rem rgba($black, .175) !default;\n$box-shadow-inset:            inset 0 1px 2px rgba($black, .075) !default;\n// scss-docs-end box-shadow-variables\n\n$component-active-color:      $white !default;\n$component-active-bg:         $primary !default;\n\n// scss-docs-start focus-ring-variables\n$focus-ring-width:      .25rem !default;\n$focus-ring-opacity:    .25 !default;\n$focus-ring-color:      rgba($primary, $focus-ring-opacity) !default;\n$focus-ring-blur:       0 !default;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color !default;\n// scss-docs-end focus-ring-variables\n\n// scss-docs-start caret-variables\n$caret-width:                 .3em !default;\n$caret-vertical-align:        $caret-width * .85 !default;\n$caret-spacing:               $caret-width * .85 !default;\n// scss-docs-end caret-variables\n\n$transition-base:             all .2s ease-in-out !default;\n$transition-fade:             opacity .15s linear !default;\n// scss-docs-start collapse-transition\n$transition-collapse:         height .35s ease !default;\n$transition-collapse-width:   width .35s ease !default;\n// scss-docs-end collapse-transition\n\n// stylelint-disable function-disallowed-list\n// scss-docs-start aspect-ratios\n$aspect-ratios: (\n  \"1x1\": 100%,\n  \"4x3\": calc(3 / 4 * 100%),\n  \"16x9\": calc(9 / 16 * 100%),\n  \"21x9\": calc(9 / 21 * 100%)\n) !default;\n// scss-docs-end aspect-ratios\n// stylelint-enable function-disallowed-list\n\n// Typography\n//\n// Font, line-height, and color for body text, headings, and more.\n\n// scss-docs-start font-variables\n// stylelint-disable value-keyword-case\n$font-family-sans-serif:      system-ui, -apple-system, \"Segoe UI\", Roboto, \"Helvetica Neue\", \"Noto Sans\", \"Liberation Sans\", Arial, sans-serif, \"Apple Color Emoji\", \"Segoe UI Emoji\", \"Segoe UI Symbol\", \"Noto Color Emoji\" !default;\n$font-family-monospace:       SFMono-Regular, Menlo, Monaco, Consolas, \"Liberation Mono\", \"Courier New\", monospace !default;\n// stylelint-enable value-keyword-case\n$font-family-base:            var(--#{$prefix}font-sans-serif) !default;\n$font-family-code:            var(--#{$prefix}font-monospace) !default;\n\n// $font-size-root affects the value of `rem`, which is used for as well font sizes, paddings, and margins\n// $font-size-base affects the font size of the body text\n$font-size-root:              null !default;\n$font-size-base:              1rem !default; // Assumes the browser default, typically `16px`\n$font-size-sm:                $font-size-base * .875 !default;\n$font-size-lg:                $font-size-base * 1.25 !default;\n\n$font-weight-lighter:         lighter !default;\n$font-weight-light:           300 !default;\n$font-weight-normal:          400 !default;\n$font-weight-medium:          500 !default;\n$font-weight-semibold:        600 !default;\n$font-weight-bold:            700 !default;\n$font-weight-bolder:          bolder !default;\n\n$font-weight-base:            $font-weight-normal !default;\n\n$line-height-base:            1.5 !default;\n$line-height-sm:              1.25 !default;\n$line-height-lg:              2 !default;\n\n$h1-font-size:                $font-size-base * 2.5 !default;\n$h2-font-size:                $font-size-base * 2 !default;\n$h3-font-size:                $font-size-base * 1.75 !default;\n$h4-font-size:                $font-size-base * 1.5 !default;\n$h5-font-size:                $font-size-base * 1.25 !default;\n$h6-font-size:                $font-size-base !default;\n// scss-docs-end font-variables\n\n// scss-docs-start font-sizes\n$font-sizes: (\n  1: $h1-font-size,\n  2: $h2-font-size,\n  3: $h3-font-size,\n  4: $h4-font-size,\n  5: $h5-font-size,\n  6: $h6-font-size\n) !default;\n// scss-docs-end font-sizes\n\n// scss-docs-start headings-variables\n$headings-margin-bottom:      $spacer * .5 !default;\n$headings-font-family:        null !default;\n$headings-font-style:         null !default;\n$headings-font-weight:        500 !default;\n$headings-line-height:        1.2 !default;\n$headings-color:              inherit !default;\n// scss-docs-end headings-variables\n\n// scss-docs-start display-headings\n$display-font-sizes: (\n  1: 5rem,\n  2: 4.5rem,\n  3: 4rem,\n  4: 3.5rem,\n  5: 3rem,\n  6: 2.5rem\n) !default;\n\n$display-font-family: null !default;\n$display-font-style:  null !default;\n$display-font-weight: 300 !default;\n$display-line-height: $headings-line-height !default;\n// scss-docs-end display-headings\n\n// scss-docs-start type-variables\n$lead-font-size:              $font-size-base * 1.25 !default;\n$lead-font-weight:            300 !default;\n\n$small-font-size:             .875em !default;\n\n$sub-sup-font-size:           .75em !default;\n\n// fusv-disable\n$text-muted:                  var(--#{$prefix}secondary-color) !default; // Deprecated in 5.3.0\n// fusv-enable\n\n$initialism-font-size:        $small-font-size !default;\n\n$blockquote-margin-y:         $spacer !default;\n$blockquote-font-size:        $font-size-base * 1.25 !default;\n$blockquote-footer-color:     $gray-600 !default;\n$blockquote-footer-font-size: $small-font-size !default;\n\n$hr-margin-y:                 $spacer !default;\n$hr-color:                    inherit !default;\n\n// fusv-disable\n$hr-bg-color:                 null !default; // Deprecated in v5.2.0\n$hr-height:                   null !default; // Deprecated in v5.2.0\n// fusv-enable\n\n$hr-border-color:             null !default; // Allows for inherited colors\n$hr-border-width:             var(--#{$prefix}border-width) !default;\n$hr-opacity:                  .25 !default;\n\n// scss-docs-start vr-variables\n$vr-border-width:             var(--#{$prefix}border-width) !default;\n// scss-docs-end vr-variables\n\n$legend-margin-bottom:        .5rem !default;\n$legend-font-size:            1.5rem !default;\n$legend-font-weight:          null !default;\n\n$dt-font-weight:              $font-weight-bold !default;\n\n$list-inline-padding:         .5rem !default;\n\n$mark-padding:                .1875em !default;\n$mark-color:                  $body-color !default;\n$mark-bg:                     $yellow-100 !default;\n// scss-docs-end type-variables\n\n\n// Tables\n//\n// Customizes the `.table` component with basic values, each used across all table variations.\n\n// scss-docs-start table-variables\n$table-cell-padding-y:        .5rem !default;\n$table-cell-padding-x:        .5rem !default;\n$table-cell-padding-y-sm:     .25rem !default;\n$table-cell-padding-x-sm:     .25rem !default;\n\n$table-cell-vertical-align:   top !default;\n\n$table-color:                 var(--#{$prefix}emphasis-color) !default;\n$table-bg:                    var(--#{$prefix}body-bg) !default;\n$table-accent-bg:             transparent !default;\n\n$table-th-font-weight:        null !default;\n\n$table-striped-color:         $table-color !default;\n$table-striped-bg-factor:     .05 !default;\n$table-striped-bg:            rgba(var(--#{$prefix}emphasis-color-rgb), $table-striped-bg-factor) !default;\n\n$table-active-color:          $table-color !default;\n$table-active-bg-factor:      .1 !default;\n$table-active-bg:             rgba(var(--#{$prefix}emphasis-color-rgb), $table-active-bg-factor) !default;\n\n$table-hover-color:           $table-color !default;\n$table-hover-bg-factor:       .075 !default;\n$table-hover-bg:              rgba(var(--#{$prefix}emphasis-color-rgb), $table-hover-bg-factor) !default;\n\n$table-border-factor:         .2 !default;\n$table-border-width:          var(--#{$prefix}border-width) !default;\n$table-border-color:          var(--#{$prefix}border-color) !default;\n\n$table-striped-order:         odd !default;\n$table-striped-columns-order: even !default;\n\n$table-group-separator-color: currentcolor !default;\n\n$table-caption-color:         var(--#{$prefix}secondary-color) !default;\n\n$table-bg-scale:              -80% !default;\n// scss-docs-end table-variables\n\n// scss-docs-start table-loop\n$table-variants: (\n  \"primary\":    shift-color($primary, $table-bg-scale),\n  \"secondary\":  shift-color($secondary, $table-bg-scale),\n  \"success\":    shift-color($success, $table-bg-scale),\n  \"info\":       shift-color($info, $table-bg-scale),\n  \"warning\":    shift-color($warning, $table-bg-scale),\n  \"danger\":     shift-color($danger, $table-bg-scale),\n  \"light\":      $light,\n  \"dark\":       $dark,\n) !default;\n// scss-docs-end table-loop\n\n\n// Buttons + Forms\n//\n// Shared variables that are reassigned to `$input-` and `$btn-` specific variables.\n\n// scss-docs-start input-btn-variables\n$input-btn-padding-y:         .375rem !default;\n$input-btn-padding-x:         .75rem !default;\n$input-btn-font-family:       null !default;\n$input-btn-font-size:         $font-size-base !default;\n$input-btn-line-height:       $line-height-base !default;\n\n$input-btn-focus-width:         $focus-ring-width !default;\n$input-btn-focus-color-opacity: $focus-ring-opacity !default;\n$input-btn-focus-color:         $focus-ring-color !default;\n$input-btn-focus-blur:          $focus-ring-blur !default;\n$input-btn-focus-box-shadow:    $focus-ring-box-shadow !default;\n\n$input-btn-padding-y-sm:      .25rem !default;\n$input-btn-padding-x-sm:      .5rem !default;\n$input-btn-font-size-sm:      $font-size-sm !default;\n\n$input-btn-padding-y-lg:      .5rem !default;\n$input-btn-padding-x-lg:      1rem !default;\n$input-btn-font-size-lg:      $font-size-lg !default;\n\n$input-btn-border-width:      var(--#{$prefix}border-width) !default;\n// scss-docs-end input-btn-variables\n\n\n// Buttons\n//\n// For each of Bootstrap's buttons, define text, background, and border color.\n\n// scss-docs-start btn-variables\n$btn-color:                   var(--#{$prefix}body-color) !default;\n$btn-padding-y:               $input-btn-padding-y !default;\n$btn-padding-x:               $input-btn-padding-x !default;\n$btn-font-family:             $input-btn-font-family !default;\n$btn-font-size:               $input-btn-font-size !default;\n$btn-line-height:             $input-btn-line-height !default;\n$btn-white-space:             null !default; // Set to `nowrap` to prevent text wrapping\n\n$btn-padding-y-sm:            $input-btn-padding-y-sm !default;\n$btn-padding-x-sm:            $input-btn-padding-x-sm !default;\n$btn-font-size-sm:            $input-btn-font-size-sm !default;\n\n$btn-padding-y-lg:            $input-btn-padding-y-lg !default;\n$btn-padding-x-lg:            $input-btn-padding-x-lg !default;\n$btn-font-size-lg:            $input-btn-font-size-lg !default;\n\n$btn-border-width:            $input-btn-border-width !default;\n\n$btn-font-weight:             $font-weight-normal !default;\n$btn-box-shadow:              inset 0 1px 0 rgba($white, .15), 0 1px 1px rgba($black, .075) !default;\n$btn-focus-width:             $input-btn-focus-width !default;\n$btn-focus-box-shadow:        $input-btn-focus-box-shadow !default;\n$btn-disabled-opacity:        .65 !default;\n$btn-active-box-shadow:       inset 0 3px 5px rgba($black, .125) !default;\n\n$btn-link-color:              var(--#{$prefix}link-color) !default;\n$btn-link-hover-color:        var(--#{$prefix}link-hover-color) !default;\n$btn-link-disabled-color:     $gray-600 !default;\n$btn-link-focus-shadow-rgb:   to-rgb(mix(color-contrast($link-color), $link-color, 15%)) !default;\n\n// Allows for customizing button radius independently from global border radius\n$btn-border-radius:           var(--#{$prefix}border-radius) !default;\n$btn-border-radius-sm:        var(--#{$prefix}border-radius-sm) !default;\n$btn-border-radius-lg:        var(--#{$prefix}border-radius-lg) !default;\n\n$btn-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$btn-hover-bg-shade-amount:       15% !default;\n$btn-hover-bg-tint-amount:        15% !default;\n$btn-hover-border-shade-amount:   20% !default;\n$btn-hover-border-tint-amount:    10% !default;\n$btn-active-bg-shade-amount:      20% !default;\n$btn-active-bg-tint-amount:       20% !default;\n$btn-active-border-shade-amount:  25% !default;\n$btn-active-border-tint-amount:   10% !default;\n// scss-docs-end btn-variables\n\n\n// Forms\n\n// scss-docs-start form-text-variables\n$form-text-margin-top:                  .25rem !default;\n$form-text-font-size:                   $small-font-size !default;\n$form-text-font-style:                  null !default;\n$form-text-font-weight:                 null !default;\n$form-text-color:                       var(--#{$prefix}secondary-color) !default;\n// scss-docs-end form-text-variables\n\n// scss-docs-start form-label-variables\n$form-label-margin-bottom:              .5rem !default;\n$form-label-font-size:                  null !default;\n$form-label-font-style:                 null !default;\n$form-label-font-weight:                null !default;\n$form-label-color:                      null !default;\n// scss-docs-end form-label-variables\n\n// scss-docs-start form-input-variables\n$input-padding-y:                       $input-btn-padding-y !default;\n$input-padding-x:                       $input-btn-padding-x !default;\n$input-font-family:                     $input-btn-font-family !default;\n$input-font-size:                       $input-btn-font-size !default;\n$input-font-weight:                     $font-weight-base !default;\n$input-line-height:                     $input-btn-line-height !default;\n\n$input-padding-y-sm:                    $input-btn-padding-y-sm !default;\n$input-padding-x-sm:                    $input-btn-padding-x-sm !default;\n$input-font-size-sm:                    $input-btn-font-size-sm !default;\n\n$input-padding-y-lg:                    $input-btn-padding-y-lg !default;\n$input-padding-x-lg:                    $input-btn-padding-x-lg !default;\n$input-font-size-lg:                    $input-btn-font-size-lg !default;\n\n$input-bg:                              var(--#{$prefix}body-bg) !default;\n$input-disabled-color:                  null !default;\n$input-disabled-bg:                     var(--#{$prefix}secondary-bg) !default;\n$input-disabled-border-color:           null !default;\n\n$input-color:                           var(--#{$prefix}body-color) !default;\n$input-border-color:                    var(--#{$prefix}border-color) !default;\n$input-border-width:                    $input-btn-border-width !default;\n$input-box-shadow:                      var(--#{$prefix}box-shadow-inset) !default;\n\n$input-border-radius:                   var(--#{$prefix}border-radius) !default;\n$input-border-radius-sm:                var(--#{$prefix}border-radius-sm) !default;\n$input-border-radius-lg:                var(--#{$prefix}border-radius-lg) !default;\n\n$input-focus-bg:                        $input-bg !default;\n$input-focus-border-color:              tint-color($component-active-bg, 50%) !default;\n$input-focus-color:                     $input-color !default;\n$input-focus-width:                     $input-btn-focus-width !default;\n$input-focus-box-shadow:                $input-btn-focus-box-shadow !default;\n\n$input-placeholder-color:               var(--#{$prefix}secondary-color) !default;\n$input-plaintext-color:                 var(--#{$prefix}body-color) !default;\n\n$input-height-border:                   calc(#{$input-border-width} * 2) !default; // stylelint-disable-line function-disallowed-list\n\n$input-height-inner:                    add($input-line-height * 1em, $input-padding-y * 2) !default;\n$input-height-inner-half:               add($input-line-height * .5em, $input-padding-y) !default;\n$input-height-inner-quarter:            add($input-line-height * .25em, $input-padding-y * .5) !default;\n\n$input-height:                          add($input-line-height * 1em, add($input-padding-y * 2, $input-height-border, false)) !default;\n$input-height-sm:                       add($input-line-height * 1em, add($input-padding-y-sm * 2, $input-height-border, false)) !default;\n$input-height-lg:                       add($input-line-height * 1em, add($input-padding-y-lg * 2, $input-height-border, false)) !default;\n\n$input-transition:                      border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$form-color-width:                      3rem !default;\n// scss-docs-end form-input-variables\n\n// scss-docs-start form-check-variables\n$form-check-input-width:                  1em !default;\n$form-check-min-height:                   $font-size-base * $line-height-base !default;\n$form-check-padding-start:                $form-check-input-width + .5em !default;\n$form-check-margin-bottom:                .125rem !default;\n$form-check-label-color:                  null !default;\n$form-check-label-cursor:                 null !default;\n$form-check-transition:                   null !default;\n\n$form-check-input-active-filter:          brightness(90%) !default;\n\n$form-check-input-bg:                     $input-bg !default;\n$form-check-input-border:                 var(--#{$prefix}border-width) solid var(--#{$prefix}border-color) !default;\n$form-check-input-border-radius:          .25em !default;\n$form-check-radio-border-radius:          50% !default;\n$form-check-input-focus-border:           $input-focus-border-color !default;\n$form-check-input-focus-box-shadow:       $focus-ring-box-shadow !default;\n\n$form-check-input-checked-color:          $component-active-color !default;\n$form-check-input-checked-bg-color:       $component-active-bg !default;\n$form-check-input-checked-border-color:   $form-check-input-checked-bg-color !default;\n$form-check-input-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-checked-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='m6 10 3 3 6-6'/></svg>\") !default;\n$form-check-radio-checked-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='2' fill='#{$form-check-input-checked-color}'/></svg>\") !default;\n\n$form-check-input-indeterminate-color:          $component-active-color !default;\n$form-check-input-indeterminate-bg-color:       $component-active-bg !default;\n$form-check-input-indeterminate-border-color:   $form-check-input-indeterminate-bg-color !default;\n$form-check-input-indeterminate-bg-image:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 20 20'><path fill='none' stroke='#{$form-check-input-indeterminate-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='3' d='M6 10h8'/></svg>\") !default;\n\n$form-check-input-disabled-opacity:        .5 !default;\n$form-check-label-disabled-opacity:        $form-check-input-disabled-opacity !default;\n$form-check-btn-check-disabled-opacity:    $btn-disabled-opacity !default;\n\n$form-check-inline-margin-end:    1rem !default;\n// scss-docs-end form-check-variables\n\n// scss-docs-start form-switch-variables\n$form-switch-color:               rgba($black, .25) !default;\n$form-switch-width:               2em !default;\n$form-switch-padding-start:       $form-switch-width + .5em !default;\n$form-switch-bg-image:            url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-color}'/></svg>\") !default;\n$form-switch-border-radius:       $form-switch-width !default;\n$form-switch-transition:          background-position .15s ease-in-out !default;\n\n$form-switch-focus-color:         $input-focus-border-color !default;\n$form-switch-focus-bg-image:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-focus-color}'/></svg>\") !default;\n\n$form-switch-checked-color:       $component-active-color !default;\n$form-switch-checked-bg-image:    url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='-4 -4 8 8'><circle r='3' fill='#{$form-switch-checked-color}'/></svg>\") !default;\n$form-switch-checked-bg-position: right center !default;\n// scss-docs-end form-switch-variables\n\n// scss-docs-start input-group-variables\n$input-group-addon-padding-y:           $input-padding-y !default;\n$input-group-addon-padding-x:           $input-padding-x !default;\n$input-group-addon-font-weight:         $input-font-weight !default;\n$input-group-addon-color:               $input-color !default;\n$input-group-addon-bg:                  var(--#{$prefix}tertiary-bg) !default;\n$input-group-addon-border-color:        $input-border-color !default;\n// scss-docs-end input-group-variables\n\n// scss-docs-start form-select-variables\n$form-select-padding-y:             $input-padding-y !default;\n$form-select-padding-x:             $input-padding-x !default;\n$form-select-font-family:           $input-font-family !default;\n$form-select-font-size:             $input-font-size !default;\n$form-select-indicator-padding:     $form-select-padding-x * 3 !default; // Extra padding for background-image\n$form-select-font-weight:           $input-font-weight !default;\n$form-select-line-height:           $input-line-height !default;\n$form-select-color:                 $input-color !default;\n$form-select-bg:                    $input-bg !default;\n$form-select-disabled-color:        null !default;\n$form-select-disabled-bg:           $input-disabled-bg !default;\n$form-select-disabled-border-color: $input-disabled-border-color !default;\n$form-select-bg-position:           right $form-select-padding-x center !default;\n$form-select-bg-size:               16px 12px !default; // In pixels because image dimensions\n$form-select-indicator-color:       $gray-800 !default;\n$form-select-indicator:             url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16'><path fill='none' stroke='#{$form-select-indicator-color}' stroke-linecap='round' stroke-linejoin='round' stroke-width='2' d='m2 5 6 6 6-6'/></svg>\") !default;\n\n$form-select-feedback-icon-padding-end: $form-select-padding-x * 2.5 + $form-select-indicator-padding !default;\n$form-select-feedback-icon-position:    center right $form-select-indicator-padding !default;\n$form-select-feedback-icon-size:        $input-height-inner-half $input-height-inner-half !default;\n\n$form-select-border-width:        $input-border-width !default;\n$form-select-border-color:        $input-border-color !default;\n$form-select-border-radius:       $input-border-radius !default;\n$form-select-box-shadow:          var(--#{$prefix}box-shadow-inset) !default;\n\n$form-select-focus-border-color:  $input-focus-border-color !default;\n$form-select-focus-width:         $input-focus-width !default;\n$form-select-focus-box-shadow:    0 0 0 $form-select-focus-width $input-btn-focus-color !default;\n\n$form-select-padding-y-sm:        $input-padding-y-sm !default;\n$form-select-padding-x-sm:        $input-padding-x-sm !default;\n$form-select-font-size-sm:        $input-font-size-sm !default;\n$form-select-border-radius-sm:    $input-border-radius-sm !default;\n\n$form-select-padding-y-lg:        $input-padding-y-lg !default;\n$form-select-padding-x-lg:        $input-padding-x-lg !default;\n$form-select-font-size-lg:        $input-font-size-lg !default;\n$form-select-border-radius-lg:    $input-border-radius-lg !default;\n\n$form-select-transition:          $input-transition !default;\n// scss-docs-end form-select-variables\n\n// scss-docs-start form-range-variables\n$form-range-track-width:          100% !default;\n$form-range-track-height:         .5rem !default;\n$form-range-track-cursor:         pointer !default;\n$form-range-track-bg:             var(--#{$prefix}secondary-bg) !default;\n$form-range-track-border-radius:  1rem !default;\n$form-range-track-box-shadow:     var(--#{$prefix}box-shadow-inset) !default;\n\n$form-range-thumb-width:                   1rem !default;\n$form-range-thumb-height:                  $form-range-thumb-width !default;\n$form-range-thumb-bg:                      $component-active-bg !default;\n$form-range-thumb-border:                  0 !default;\n$form-range-thumb-border-radius:           1rem !default;\n$form-range-thumb-box-shadow:              0 .1rem .25rem rgba($black, .1) !default;\n$form-range-thumb-focus-box-shadow:        0 0 0 1px $body-bg, $input-focus-box-shadow !default;\n$form-range-thumb-focus-box-shadow-width:  $input-focus-width !default; // For focus box shadow issue in Edge\n$form-range-thumb-active-bg:               tint-color($component-active-bg, 70%) !default;\n$form-range-thumb-disabled-bg:             var(--#{$prefix}secondary-color) !default;\n$form-range-thumb-transition:              background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n// scss-docs-end form-range-variables\n\n// scss-docs-start form-file-variables\n$form-file-button-color:          $input-color !default;\n$form-file-button-bg:             var(--#{$prefix}tertiary-bg) !default;\n$form-file-button-hover-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end form-file-variables\n\n// scss-docs-start form-floating-variables\n$form-floating-height:                  add(3.5rem, $input-height-border) !default;\n$form-floating-line-height:             1.25 !default;\n$form-floating-padding-x:               $input-padding-x !default;\n$form-floating-padding-y:               1rem !default;\n$form-floating-input-padding-t:         1.625rem !default;\n$form-floating-input-padding-b:         .625rem !default;\n$form-floating-label-height:            1.5em !default;\n$form-floating-label-opacity:           .65 !default;\n$form-floating-label-transform:         scale(.85) translateY(-.5rem) translateX(.15rem) !default;\n$form-floating-label-disabled-color:    $gray-600 !default;\n$form-floating-transition:              opacity .1s ease-in-out, transform .1s ease-in-out !default;\n// scss-docs-end form-floating-variables\n\n// Form validation\n\n// scss-docs-start form-feedback-variables\n$form-feedback-margin-top:          $form-text-margin-top !default;\n$form-feedback-font-size:           $form-text-font-size !default;\n$form-feedback-font-style:          $form-text-font-style !default;\n$form-feedback-valid-color:         $success !default;\n$form-feedback-invalid-color:       $danger !default;\n\n$form-feedback-icon-valid-color:    $form-feedback-valid-color !default;\n$form-feedback-icon-valid:          url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 8 8'><path fill='#{$form-feedback-icon-valid-color}' d='M2.3 6.73.6 4.53c-.4-1.04.46-1.4 1.1-.8l1.1 1.4 3.4-3.8c.6-.63 1.6-.27 1.2.7l-4 4.6c-.43.5-.8.4-1.1.1z'/></svg>\") !default;\n$form-feedback-icon-invalid-color:  $form-feedback-invalid-color !default;\n$form-feedback-icon-invalid:        url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 12 12' width='12' height='12' fill='none' stroke='#{$form-feedback-icon-invalid-color}'><circle cx='6' cy='6' r='4.5'/><path stroke-linejoin='round' d='M5.8 3.6h.4L6 6.5z'/><circle cx='6' cy='8.2' r='.6' fill='#{$form-feedback-icon-invalid-color}' stroke='none'/></svg>\") !default;\n// scss-docs-end form-feedback-variables\n\n// scss-docs-start form-validation-colors\n$form-valid-color:                  $form-feedback-valid-color !default;\n$form-valid-border-color:           $form-feedback-valid-color !default;\n$form-invalid-color:                $form-feedback-invalid-color !default;\n$form-invalid-border-color:         $form-feedback-invalid-color !default;\n// scss-docs-end form-validation-colors\n\n// scss-docs-start form-validation-states\n$form-validation-states: (\n  \"valid\": (\n    \"color\": var(--#{$prefix}form-valid-color),\n    \"icon\": $form-feedback-icon-valid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}success),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}success-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-valid-border-color),\n  ),\n  \"invalid\": (\n    \"color\": var(--#{$prefix}form-invalid-color),\n    \"icon\": $form-feedback-icon-invalid,\n    \"tooltip-color\": #fff,\n    \"tooltip-bg-color\": var(--#{$prefix}danger),\n    \"focus-box-shadow\": 0 0 $input-btn-focus-blur $input-focus-width rgba(var(--#{$prefix}danger-rgb), $input-btn-focus-color-opacity),\n    \"border-color\": var(--#{$prefix}form-invalid-border-color),\n  )\n) !default;\n// scss-docs-end form-validation-states\n\n// Z-index master list\n//\n// Warning: Avoid customizing these values. They're used for a bird's eye view\n// of components dependent on the z-axis and are designed to all work together.\n\n// scss-docs-start zindex-stack\n$zindex-dropdown:                   1000 !default;\n$zindex-sticky:                     1020 !default;\n$zindex-fixed:                      1030 !default;\n$zindex-offcanvas-backdrop:         1040 !default;\n$zindex-offcanvas:                  1045 !default;\n$zindex-modal-backdrop:             1050 !default;\n$zindex-modal:                      1055 !default;\n$zindex-popover:                    1070 !default;\n$zindex-tooltip:                    1080 !default;\n$zindex-toast:                      1090 !default;\n// scss-docs-end zindex-stack\n\n// scss-docs-start zindex-levels-map\n$zindex-levels: (\n  n1: -1,\n  0: 0,\n  1: 1,\n  2: 2,\n  3: 3\n) !default;\n// scss-docs-end zindex-levels-map\n\n\n// Navs\n\n// scss-docs-start nav-variables\n$nav-link-padding-y:                .5rem !default;\n$nav-link-padding-x:                1rem !default;\n$nav-link-font-size:                null !default;\n$nav-link-font-weight:              null !default;\n$nav-link-color:                    var(--#{$prefix}link-color) !default;\n$nav-link-hover-color:              var(--#{$prefix}link-hover-color) !default;\n$nav-link-transition:               color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out !default;\n$nav-link-disabled-color:           var(--#{$prefix}secondary-color) !default;\n$nav-link-focus-box-shadow:         $focus-ring-box-shadow !default;\n\n$nav-tabs-border-color:             var(--#{$prefix}border-color) !default;\n$nav-tabs-border-width:             var(--#{$prefix}border-width) !default;\n$nav-tabs-border-radius:            var(--#{$prefix}border-radius) !default;\n$nav-tabs-link-hover-border-color:  var(--#{$prefix}secondary-bg) var(--#{$prefix}secondary-bg) $nav-tabs-border-color !default;\n$nav-tabs-link-active-color:        var(--#{$prefix}emphasis-color) !default;\n$nav-tabs-link-active-bg:           var(--#{$prefix}body-bg) !default;\n$nav-tabs-link-active-border-color: var(--#{$prefix}border-color) var(--#{$prefix}border-color) $nav-tabs-link-active-bg !default;\n\n$nav-pills-border-radius:           var(--#{$prefix}border-radius) !default;\n$nav-pills-link-active-color:       $component-active-color !default;\n$nav-pills-link-active-bg:          $component-active-bg !default;\n\n$nav-underline-gap:                 1rem !default;\n$nav-underline-border-width:        .125rem !default;\n$nav-underline-link-active-color:   var(--#{$prefix}emphasis-color) !default;\n// scss-docs-end nav-variables\n\n\n// Navbar\n\n// scss-docs-start navbar-variables\n$navbar-padding-y:                  $spacer * .5 !default;\n$navbar-padding-x:                  null !default;\n\n$navbar-nav-link-padding-x:         .5rem !default;\n\n$navbar-brand-font-size:            $font-size-lg !default;\n// Compute the navbar-brand padding-y so the navbar-brand will have the same height as navbar-text and nav-link\n$nav-link-height:                   $font-size-base * $line-height-base + $nav-link-padding-y * 2 !default;\n$navbar-brand-height:               $navbar-brand-font-size * $line-height-base !default;\n$navbar-brand-padding-y:            ($nav-link-height - $navbar-brand-height) * .5 !default;\n$navbar-brand-margin-end:           1rem !default;\n\n$navbar-toggler-padding-y:          .25rem !default;\n$navbar-toggler-padding-x:          .75rem !default;\n$navbar-toggler-font-size:          $font-size-lg !default;\n$navbar-toggler-border-radius:      $btn-border-radius !default;\n$navbar-toggler-focus-width:        $btn-focus-width !default;\n$navbar-toggler-transition:         box-shadow .15s ease-in-out !default;\n\n$navbar-light-color:                rgba(var(--#{$prefix}emphasis-color-rgb), .65) !default;\n$navbar-light-hover-color:          rgba(var(--#{$prefix}emphasis-color-rgb), .8) !default;\n$navbar-light-active-color:         rgba(var(--#{$prefix}emphasis-color-rgb), 1) !default;\n$navbar-light-disabled-color:       rgba(var(--#{$prefix}emphasis-color-rgb), .3) !default;\n$navbar-light-icon-color:           rgba($body-color, .75) !default;\n$navbar-light-toggler-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-light-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-light-toggler-border-color: rgba(var(--#{$prefix}emphasis-color-rgb), .15) !default;\n$navbar-light-brand-color:          $navbar-light-active-color !default;\n$navbar-light-brand-hover-color:    $navbar-light-active-color !default;\n// scss-docs-end navbar-variables\n\n// scss-docs-start navbar-dark-variables\n$navbar-dark-color:                 rgba($white, .55) !default;\n$navbar-dark-hover-color:           rgba($white, .75) !default;\n$navbar-dark-active-color:          $white !default;\n$navbar-dark-disabled-color:        rgba($white, .25) !default;\n$navbar-dark-icon-color:            $navbar-dark-color !default;\n$navbar-dark-toggler-icon-bg:       url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 30 30'><path stroke='#{$navbar-dark-icon-color}' stroke-linecap='round' stroke-miterlimit='10' stroke-width='2' d='M4 7h22M4 15h22M4 23h22'/></svg>\") !default;\n$navbar-dark-toggler-border-color:  rgba($white, .1) !default;\n$navbar-dark-brand-color:           $navbar-dark-active-color !default;\n$navbar-dark-brand-hover-color:     $navbar-dark-active-color !default;\n// scss-docs-end navbar-dark-variables\n\n\n// Dropdowns\n//\n// Dropdown menu container and contents.\n\n// scss-docs-start dropdown-variables\n$dropdown-min-width:                10rem !default;\n$dropdown-padding-x:                0 !default;\n$dropdown-padding-y:                .5rem !default;\n$dropdown-spacer:                   .125rem !default;\n$dropdown-font-size:                $font-size-base !default;\n$dropdown-color:                    var(--#{$prefix}body-color) !default;\n$dropdown-bg:                       var(--#{$prefix}body-bg) !default;\n$dropdown-border-color:             var(--#{$prefix}border-color-translucent) !default;\n$dropdown-border-radius:            var(--#{$prefix}border-radius) !default;\n$dropdown-border-width:             var(--#{$prefix}border-width) !default;\n$dropdown-inner-border-radius:      calc(#{$dropdown-border-radius} - #{$dropdown-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$dropdown-divider-bg:               $dropdown-border-color !default;\n$dropdown-divider-margin-y:         $spacer * .5 !default;\n$dropdown-box-shadow:               var(--#{$prefix}box-shadow) !default;\n\n$dropdown-link-color:               var(--#{$prefix}body-color) !default;\n$dropdown-link-hover-color:         $dropdown-link-color !default;\n$dropdown-link-hover-bg:            var(--#{$prefix}tertiary-bg) !default;\n\n$dropdown-link-active-color:        $component-active-color !default;\n$dropdown-link-active-bg:           $component-active-bg !default;\n\n$dropdown-link-disabled-color:      var(--#{$prefix}tertiary-color) !default;\n\n$dropdown-item-padding-y:           $spacer * .25 !default;\n$dropdown-item-padding-x:           $spacer !default;\n\n$dropdown-header-color:             $gray-600 !default;\n$dropdown-header-padding-x:         $dropdown-item-padding-x !default;\n$dropdown-header-padding-y:         $dropdown-padding-y !default;\n// fusv-disable\n$dropdown-header-padding:           $dropdown-header-padding-y $dropdown-header-padding-x !default; // Deprecated in v5.2.0\n// fusv-enable\n// scss-docs-end dropdown-variables\n\n// scss-docs-start dropdown-dark-variables\n$dropdown-dark-color:               $gray-300 !default;\n$dropdown-dark-bg:                  $gray-800 !default;\n$dropdown-dark-border-color:        $dropdown-border-color !default;\n$dropdown-dark-divider-bg:          $dropdown-divider-bg !default;\n$dropdown-dark-box-shadow:          null !default;\n$dropdown-dark-link-color:          $dropdown-dark-color !default;\n$dropdown-dark-link-hover-color:    $white !default;\n$dropdown-dark-link-hover-bg:       rgba($white, .15) !default;\n$dropdown-dark-link-active-color:   $dropdown-link-active-color !default;\n$dropdown-dark-link-active-bg:      $dropdown-link-active-bg !default;\n$dropdown-dark-link-disabled-color: $gray-500 !default;\n$dropdown-dark-header-color:        $gray-500 !default;\n// scss-docs-end dropdown-dark-variables\n\n\n// Pagination\n\n// scss-docs-start pagination-variables\n$pagination-padding-y:              .375rem !default;\n$pagination-padding-x:              .75rem !default;\n$pagination-padding-y-sm:           .25rem !default;\n$pagination-padding-x-sm:           .5rem !default;\n$pagination-padding-y-lg:           .75rem !default;\n$pagination-padding-x-lg:           1.5rem !default;\n\n$pagination-font-size:              $font-size-base !default;\n\n$pagination-color:                  var(--#{$prefix}link-color) !default;\n$pagination-bg:                     var(--#{$prefix}body-bg) !default;\n$pagination-border-radius:          var(--#{$prefix}border-radius) !default;\n$pagination-border-width:           var(--#{$prefix}border-width) !default;\n$pagination-margin-start:           calc(#{$pagination-border-width} * -1) !default; // stylelint-disable-line function-disallowed-list\n$pagination-border-color:           var(--#{$prefix}border-color) !default;\n\n$pagination-focus-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-focus-bg:               var(--#{$prefix}secondary-bg) !default;\n$pagination-focus-box-shadow:       $focus-ring-box-shadow !default;\n$pagination-focus-outline:          0 !default;\n\n$pagination-hover-color:            var(--#{$prefix}link-hover-color) !default;\n$pagination-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$pagination-hover-border-color:     var(--#{$prefix}border-color) !default; // Todo in v6: remove this?\n\n$pagination-active-color:           $component-active-color !default;\n$pagination-active-bg:              $component-active-bg !default;\n$pagination-active-border-color:    $component-active-bg !default;\n\n$pagination-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$pagination-disabled-bg:            var(--#{$prefix}secondary-bg) !default;\n$pagination-disabled-border-color:  var(--#{$prefix}border-color) !default;\n\n$pagination-transition:              color .15s ease-in-out, background-color .15s ease-in-out, border-color .15s ease-in-out, box-shadow .15s ease-in-out !default;\n\n$pagination-border-radius-sm:       var(--#{$prefix}border-radius-sm) !default;\n$pagination-border-radius-lg:       var(--#{$prefix}border-radius-lg) !default;\n// scss-docs-end pagination-variables\n\n\n// Placeholders\n\n// scss-docs-start placeholders\n$placeholder-opacity-max:           .5 !default;\n$placeholder-opacity-min:           .2 !default;\n// scss-docs-end placeholders\n\n// Cards\n\n// scss-docs-start card-variables\n$card-spacer-y:                     $spacer !default;\n$card-spacer-x:                     $spacer !default;\n$card-title-spacer-y:               $spacer * .5 !default;\n$card-title-color:                  null !default;\n$card-subtitle-color:               null !default;\n$card-border-width:                 var(--#{$prefix}border-width) !default;\n$card-border-color:                 var(--#{$prefix}border-color-translucent) !default;\n$card-border-radius:                var(--#{$prefix}border-radius) !default;\n$card-box-shadow:                   null !default;\n$card-inner-border-radius:          subtract($card-border-radius, $card-border-width) !default;\n$card-cap-padding-y:                $card-spacer-y * .5 !default;\n$card-cap-padding-x:                $card-spacer-x !default;\n$card-cap-bg:                       rgba(var(--#{$prefix}body-color-rgb), .03) !default;\n$card-cap-color:                    null !default;\n$card-height:                       null !default;\n$card-color:                        null !default;\n$card-bg:                           var(--#{$prefix}body-bg) !default;\n$card-img-overlay-padding:          $spacer !default;\n$card-group-margin:                 $grid-gutter-width * .5 !default;\n// scss-docs-end card-variables\n\n// Accordion\n\n// scss-docs-start accordion-variables\n$accordion-padding-y:                     1rem !default;\n$accordion-padding-x:                     1.25rem !default;\n$accordion-color:                         var(--#{$prefix}body-color) !default;\n$accordion-bg:                            var(--#{$prefix}body-bg) !default;\n$accordion-border-width:                  var(--#{$prefix}border-width) !default;\n$accordion-border-color:                  var(--#{$prefix}border-color) !default;\n$accordion-border-radius:                 var(--#{$prefix}border-radius) !default;\n$accordion-inner-border-radius:           subtract($accordion-border-radius, $accordion-border-width) !default;\n\n$accordion-body-padding-y:                $accordion-padding-y !default;\n$accordion-body-padding-x:                $accordion-padding-x !default;\n\n$accordion-button-padding-y:              $accordion-padding-y !default;\n$accordion-button-padding-x:              $accordion-padding-x !default;\n$accordion-button-color:                  var(--#{$prefix}body-color) !default;\n$accordion-button-bg:                     var(--#{$prefix}accordion-bg) !default;\n$accordion-transition:                    $btn-transition, border-radius .15s ease !default;\n$accordion-button-active-bg:              var(--#{$prefix}primary-bg-subtle) !default;\n$accordion-button-active-color:           var(--#{$prefix}primary-text-emphasis) !default;\n\n// fusv-disable\n$accordion-button-focus-border-color:     $input-focus-border-color !default; // Deprecated in v5.3.3\n// fusv-enable\n$accordion-button-focus-box-shadow:       $btn-focus-box-shadow !default;\n\n$accordion-icon-width:                    1.25rem !default;\n$accordion-icon-color:                    $body-color !default;\n$accordion-icon-active-color:             $primary-text-emphasis !default;\n$accordion-icon-transition:               transform .2s ease-in-out !default;\n$accordion-icon-transform:                rotate(-180deg) !default;\n\n$accordion-button-icon:         url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='#{$accordion-icon-color}' stroke-linecap='round' stroke-linejoin='round'><path d='M2 5L8 11L14 5'/></svg>\") !default;\n$accordion-button-active-icon:  url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='none' stroke='#{$accordion-icon-active-color}' stroke-linecap='round' stroke-linejoin='round'><path d='M2 5L8 11L14 5'/></svg>\") !default;\n// scss-docs-end accordion-variables\n\n// Tooltips\n\n// scss-docs-start tooltip-variables\n$tooltip-font-size:                 $font-size-sm !default;\n$tooltip-max-width:                 200px !default;\n$tooltip-color:                     var(--#{$prefix}body-bg) !default;\n$tooltip-bg:                        var(--#{$prefix}emphasis-color) !default;\n$tooltip-border-radius:             var(--#{$prefix}border-radius) !default;\n$tooltip-opacity:                   .9 !default;\n$tooltip-padding-y:                 $spacer * .25 !default;\n$tooltip-padding-x:                 $spacer * .5 !default;\n$tooltip-margin:                    null !default; // TODO: remove this in v6\n\n$tooltip-arrow-width:               .8rem !default;\n$tooltip-arrow-height:              .4rem !default;\n// fusv-disable\n$tooltip-arrow-color:               null !default; // Deprecated in Bootstrap 5.2.0 for CSS variables\n// fusv-enable\n// scss-docs-end tooltip-variables\n\n// Form tooltips must come after regular tooltips\n// scss-docs-start tooltip-feedback-variables\n$form-feedback-tooltip-padding-y:     $tooltip-padding-y !default;\n$form-feedback-tooltip-padding-x:     $tooltip-padding-x !default;\n$form-feedback-tooltip-font-size:     $tooltip-font-size !default;\n$form-feedback-tooltip-line-height:   null !default;\n$form-feedback-tooltip-opacity:       $tooltip-opacity !default;\n$form-feedback-tooltip-border-radius: $tooltip-border-radius !default;\n// scss-docs-end tooltip-feedback-variables\n\n\n// Popovers\n\n// scss-docs-start popover-variables\n$popover-font-size:                 $font-size-sm !default;\n$popover-bg:                        var(--#{$prefix}body-bg) !default;\n$popover-max-width:                 276px !default;\n$popover-border-width:              var(--#{$prefix}border-width) !default;\n$popover-border-color:              var(--#{$prefix}border-color-translucent) !default;\n$popover-border-radius:             var(--#{$prefix}border-radius-lg) !default;\n$popover-inner-border-radius:       calc(#{$popover-border-radius} - #{$popover-border-width}) !default; // stylelint-disable-line function-disallowed-list\n$popover-box-shadow:                var(--#{$prefix}box-shadow) !default;\n\n$popover-header-font-size:          $font-size-base !default;\n$popover-header-bg:                 var(--#{$prefix}secondary-bg) !default;\n$popover-header-color:              $headings-color !default;\n$popover-header-padding-y:          .5rem !default;\n$popover-header-padding-x:          $spacer !default;\n\n$popover-body-color:                var(--#{$prefix}body-color) !default;\n$popover-body-padding-y:            $spacer !default;\n$popover-body-padding-x:            $spacer !default;\n\n$popover-arrow-width:               1rem !default;\n$popover-arrow-height:              .5rem !default;\n// scss-docs-end popover-variables\n\n// fusv-disable\n// Deprecated in Bootstrap 5.2.0 for CSS variables\n$popover-arrow-color:               $popover-bg !default;\n$popover-arrow-outer-color:         var(--#{$prefix}border-color-translucent) !default;\n// fusv-enable\n\n\n// Toasts\n\n// scss-docs-start toast-variables\n$toast-max-width:                   350px !default;\n$toast-padding-x:                   .75rem !default;\n$toast-padding-y:                   .5rem !default;\n$toast-font-size:                   .875rem !default;\n$toast-color:                       null !default;\n$toast-background-color:            rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-border-width:                var(--#{$prefix}border-width) !default;\n$toast-border-color:                var(--#{$prefix}border-color-translucent) !default;\n$toast-border-radius:               var(--#{$prefix}border-radius) !default;\n$toast-box-shadow:                  var(--#{$prefix}box-shadow) !default;\n$toast-spacing:                     $container-padding-x !default;\n\n$toast-header-color:                var(--#{$prefix}secondary-color) !default;\n$toast-header-background-color:     rgba(var(--#{$prefix}body-bg-rgb), .85) !default;\n$toast-header-border-color:         $toast-border-color !default;\n// scss-docs-end toast-variables\n\n\n// Badges\n\n// scss-docs-start badge-variables\n$badge-font-size:                   .75em !default;\n$badge-font-weight:                 $font-weight-bold !default;\n$badge-color:                       $white !default;\n$badge-padding-y:                   .35em !default;\n$badge-padding-x:                   .65em !default;\n$badge-border-radius:               var(--#{$prefix}border-radius) !default;\n// scss-docs-end badge-variables\n\n\n// Modals\n\n// scss-docs-start modal-variables\n$modal-inner-padding:               $spacer !default;\n\n$modal-footer-margin-between:       .5rem !default;\n\n$modal-dialog-margin:               .5rem !default;\n$modal-dialog-margin-y-sm-up:       1.75rem !default;\n\n$modal-title-line-height:           $line-height-base !default;\n\n$modal-content-color:               null !default;\n$modal-content-bg:                  var(--#{$prefix}body-bg) !default;\n$modal-content-border-color:        var(--#{$prefix}border-color-translucent) !default;\n$modal-content-border-width:        var(--#{$prefix}border-width) !default;\n$modal-content-border-radius:       var(--#{$prefix}border-radius-lg) !default;\n$modal-content-inner-border-radius: subtract($modal-content-border-radius, $modal-content-border-width) !default;\n$modal-content-box-shadow-xs:       var(--#{$prefix}box-shadow-sm) !default;\n$modal-content-box-shadow-sm-up:    var(--#{$prefix}box-shadow) !default;\n\n$modal-backdrop-bg:                 $black !default;\n$modal-backdrop-opacity:            .5 !default;\n\n$modal-header-border-color:         var(--#{$prefix}border-color) !default;\n$modal-header-border-width:         $modal-content-border-width !default;\n$modal-header-padding-y:            $modal-inner-padding !default;\n$modal-header-padding-x:            $modal-inner-padding !default;\n$modal-header-padding:              $modal-header-padding-y $modal-header-padding-x !default; // Keep this for backwards compatibility\n\n$modal-footer-bg:                   null !default;\n$modal-footer-border-color:         $modal-header-border-color !default;\n$modal-footer-border-width:         $modal-header-border-width !default;\n\n$modal-sm:                          300px !default;\n$modal-md:                          500px !default;\n$modal-lg:                          800px !default;\n$modal-xl:                          1140px !default;\n\n$modal-fade-transform:              translate(0, -50px) !default;\n$modal-show-transform:              none !default;\n$modal-transition:                  transform .3s ease-out !default;\n$modal-scale-transform:             scale(1.02) !default;\n// scss-docs-end modal-variables\n\n\n// Alerts\n//\n// Define alert colors, border radius, and padding.\n\n// scss-docs-start alert-variables\n$alert-padding-y:               $spacer !default;\n$alert-padding-x:               $spacer !default;\n$alert-margin-bottom:           1rem !default;\n$alert-border-radius:           var(--#{$prefix}border-radius) !default;\n$alert-link-font-weight:        $font-weight-bold !default;\n$alert-border-width:            var(--#{$prefix}border-width) !default;\n$alert-dismissible-padding-r:   $alert-padding-x * 3 !default; // 3x covers width of x plus default padding on either side\n// scss-docs-end alert-variables\n\n// fusv-disable\n$alert-bg-scale:                -80% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-border-scale:            -70% !default; // Deprecated in v5.2.0, to be removed in v6\n$alert-color-scale:             40% !default; // Deprecated in v5.2.0, to be removed in v6\n// fusv-enable\n\n// Progress bars\n\n// scss-docs-start progress-variables\n$progress-height:                   1rem !default;\n$progress-font-size:                $font-size-base * .75 !default;\n$progress-bg:                       var(--#{$prefix}secondary-bg) !default;\n$progress-border-radius:            var(--#{$prefix}border-radius) !default;\n$progress-box-shadow:               var(--#{$prefix}box-shadow-inset) !default;\n$progress-bar-color:                $white !default;\n$progress-bar-bg:                   $primary !default;\n$progress-bar-animation-timing:     1s linear infinite !default;\n$progress-bar-transition:           width .6s ease !default;\n// scss-docs-end progress-variables\n\n\n// List group\n\n// scss-docs-start list-group-variables\n$list-group-color:                  var(--#{$prefix}body-color) !default;\n$list-group-bg:                     var(--#{$prefix}body-bg) !default;\n$list-group-border-color:           var(--#{$prefix}border-color) !default;\n$list-group-border-width:           var(--#{$prefix}border-width) !default;\n$list-group-border-radius:          var(--#{$prefix}border-radius) !default;\n\n$list-group-item-padding-y:         $spacer * .5 !default;\n$list-group-item-padding-x:         $spacer !default;\n// fusv-disable\n$list-group-item-bg-scale:          -80% !default; // Deprecated in v5.3.0\n$list-group-item-color-scale:       40% !default; // Deprecated in v5.3.0\n// fusv-enable\n\n$list-group-hover-bg:               var(--#{$prefix}tertiary-bg) !default;\n$list-group-active-color:           $component-active-color !default;\n$list-group-active-bg:              $component-active-bg !default;\n$list-group-active-border-color:    $list-group-active-bg !default;\n\n$list-group-disabled-color:         var(--#{$prefix}secondary-color) !default;\n$list-group-disabled-bg:            $list-group-bg !default;\n\n$list-group-action-color:           var(--#{$prefix}secondary-color) !default;\n$list-group-action-hover-color:     var(--#{$prefix}emphasis-color) !default;\n\n$list-group-action-active-color:    var(--#{$prefix}body-color) !default;\n$list-group-action-active-bg:       var(--#{$prefix}secondary-bg) !default;\n// scss-docs-end list-group-variables\n\n\n// Image thumbnails\n\n// scss-docs-start thumbnail-variables\n$thumbnail-padding:                 .25rem !default;\n$thumbnail-bg:                      var(--#{$prefix}body-bg) !default;\n$thumbnail-border-width:            var(--#{$prefix}border-width) !default;\n$thumbnail-border-color:            var(--#{$prefix}border-color) !default;\n$thumbnail-border-radius:           var(--#{$prefix}border-radius) !default;\n$thumbnail-box-shadow:              var(--#{$prefix}box-shadow-sm) !default;\n// scss-docs-end thumbnail-variables\n\n\n// Figures\n\n// scss-docs-start figure-variables\n$figure-caption-font-size:          $small-font-size !default;\n$figure-caption-color:              var(--#{$prefix}secondary-color) !default;\n// scss-docs-end figure-variables\n\n\n// Breadcrumbs\n\n// scss-docs-start breadcrumb-variables\n$breadcrumb-font-size:              null !default;\n$breadcrumb-padding-y:              0 !default;\n$breadcrumb-padding-x:              0 !default;\n$breadcrumb-item-padding-x:         .5rem !default;\n$breadcrumb-margin-bottom:          1rem !default;\n$breadcrumb-bg:                     null !default;\n$breadcrumb-divider-color:          var(--#{$prefix}secondary-color) !default;\n$breadcrumb-active-color:           var(--#{$prefix}secondary-color) !default;\n$breadcrumb-divider:                quote(\"/\") !default;\n$breadcrumb-divider-flipped:        $breadcrumb-divider !default;\n$breadcrumb-border-radius:          null !default;\n// scss-docs-end breadcrumb-variables\n\n// Carousel\n\n// scss-docs-start carousel-variables\n$carousel-control-color:             $white !default;\n$carousel-control-width:             15% !default;\n$carousel-control-opacity:           .5 !default;\n$carousel-control-hover-opacity:     .9 !default;\n$carousel-control-transition:        opacity .15s ease !default;\n\n$carousel-indicator-width:           30px !default;\n$carousel-indicator-height:          3px !default;\n$carousel-indicator-hit-area-height: 10px !default;\n$carousel-indicator-spacer:          3px !default;\n$carousel-indicator-opacity:         .5 !default;\n$carousel-indicator-active-bg:       $white !default;\n$carousel-indicator-active-opacity:  1 !default;\n$carousel-indicator-transition:      opacity .6s ease !default;\n\n$carousel-caption-width:             70% !default;\n$carousel-caption-color:             $white !default;\n$carousel-caption-padding-y:         1.25rem !default;\n$carousel-caption-spacer:            1.25rem !default;\n\n$carousel-control-icon-width:        2rem !default;\n\n$carousel-control-prev-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M11.354 1.646a.5.5 0 0 1 0 .708L5.707 8l5.647 5.646a.5.5 0 0 1-.708.708l-6-6a.5.5 0 0 1 0-.708l6-6a.5.5 0 0 1 .708 0z'/></svg>\") !default;\n$carousel-control-next-icon-bg:      url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$carousel-control-color}'><path d='M4.646 1.646a.5.5 0 0 1 .708 0l6 6a.5.5 0 0 1 0 .708l-6 6a.5.5 0 0 1-.708-.708L10.293 8 4.646 2.354a.5.5 0 0 1 0-.708z'/></svg>\") !default;\n\n$carousel-transition-duration:       .6s !default;\n$carousel-transition:                transform $carousel-transition-duration ease-in-out !default; // Define transform transition first if using multiple transitions (e.g., `transform 2s ease, opacity .5s ease-out`)\n// scss-docs-end carousel-variables\n\n// scss-docs-start carousel-dark-variables\n$carousel-dark-indicator-active-bg:  $black !default;\n$carousel-dark-caption-color:        $black !default;\n$carousel-dark-control-icon-filter:  invert(1) grayscale(100) !default;\n// scss-docs-end carousel-dark-variables\n\n\n// Spinners\n\n// scss-docs-start spinner-variables\n$spinner-width:           2rem !default;\n$spinner-height:          $spinner-width !default;\n$spinner-vertical-align:  -.125em !default;\n$spinner-border-width:    .25em !default;\n$spinner-animation-speed: .75s !default;\n\n$spinner-width-sm:        1rem !default;\n$spinner-height-sm:       $spinner-width-sm !default;\n$spinner-border-width-sm: .2em !default;\n// scss-docs-end spinner-variables\n\n\n// Close\n\n// scss-docs-start close-variables\n$btn-close-width:            1em !default;\n$btn-close-height:           $btn-close-width !default;\n$btn-close-padding-x:        .25em !default;\n$btn-close-padding-y:        $btn-close-padding-x !default;\n$btn-close-color:            $black !default;\n$btn-close-bg:               url(\"data:image/svg+xml,<svg xmlns='http://www.w3.org/2000/svg' viewBox='0 0 16 16' fill='#{$btn-close-color}'><path d='M.293.293a1 1 0 0 1 1.414 0L8 6.586 14.293.293a1 1 0 1 1 1.414 1.414L9.414 8l6.293 6.293a1 1 0 0 1-1.414 1.414L8 9.414l-6.293 6.293a1 1 0 0 1-1.414-1.414L6.586 8 .293 1.707a1 1 0 0 1 0-1.414z'/></svg>\") !default;\n$btn-close-focus-shadow:     $focus-ring-box-shadow !default;\n$btn-close-opacity:          .5 !default;\n$btn-close-hover-opacity:    .75 !default;\n$btn-close-focus-opacity:    1 !default;\n$btn-close-disabled-opacity: .25 !default;\n$btn-close-white-filter:     invert(1) grayscale(100%) brightness(200%) !default;\n// scss-docs-end close-variables\n\n\n// Offcanvas\n\n// scss-docs-start offcanvas-variables\n$offcanvas-padding-y:               $modal-inner-padding !default;\n$offcanvas-padding-x:               $modal-inner-padding !default;\n$offcanvas-horizontal-width:        400px !default;\n$offcanvas-vertical-height:         30vh !default;\n$offcanvas-transition-duration:     .3s !default;\n$offcanvas-border-color:            $modal-content-border-color !default;\n$offcanvas-border-width:            $modal-content-border-width !default;\n$offcanvas-title-line-height:       $modal-title-line-height !default;\n$offcanvas-bg-color:                var(--#{$prefix}body-bg) !default;\n$offcanvas-color:                   var(--#{$prefix}body-color) !default;\n$offcanvas-box-shadow:              $modal-content-box-shadow-xs !default;\n$offcanvas-backdrop-bg:             $modal-backdrop-bg !default;\n$offcanvas-backdrop-opacity:        $modal-backdrop-opacity !default;\n// scss-docs-end offcanvas-variables\n\n// Code\n\n$code-font-size:                    $small-font-size !default;\n$code-color:                        $pink !default;\n\n$kbd-padding-y:                     .1875rem !default;\n$kbd-padding-x:                     .375rem !default;\n$kbd-font-size:                     $code-font-size !default;\n$kbd-color:                         var(--#{$prefix}body-bg) !default;\n$kbd-bg:                            var(--#{$prefix}body-color) !default;\n$nested-kbd-font-weight:            null !default; // Deprecated in v5.2.0, removing in v6\n\n$pre-color:                         null !default;\n\n@import \"variables-dark\"; // TODO: can be removed safely in v6, only here to avoid breaking changes in v5.3\n","// Override bootstrap variables\n$spacer: 1rem;\n$container-max-widths: (\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1400px,\n);\n$grid-breakpoints: (\n  xs: 0,\n  sm: 540px,\n  md: 720px,\n  lg: 960px,\n  xl: 1200px,\n);\n$dropdown-link-hover-bg: var(--pst-color-surface);\n\n// --pst-color-surface can also be assigned to the dark variant because it is\n// scoped to different values depending on light/dark theme\n$dropdown-dark-link-hover-bg: var(--pst-color-surface);\n$dropdown-link-active-bg: var(--pst-color-surface);\n$dropdown-dark-link-active-bg: var(--pst-color-surface);\n$focus-ring-width: 0.1875rem; // 3px at 100% zoom (0.1875 * 16px base font = 3px)\n$focus-ring-opacity: 1;\n$focus-ring-color: var(--pst-color-accent);\n$focus-ring-blur: 0;\n$focus-ring-box-shadow: 0 0 $focus-ring-blur $focus-ring-width $focus-ring-color;\n\n// outline creates the same style of focus ring, it just uses CSS outline instead of box shadow\n$focus-ring-outline: $focus-ring-color solid $focus-ring-width;\n$btn-focus-box-shadow: $focus-ring-box-shadow;\n","/***\n * Rules for the UX/UI of skip navigation link btn.\n * It's only visible to people\n * navigating with keyboard for accessibility purposes\n * ref: https://www.youtube.com/watch?v=VUR0I5mqq7I\n ***/\n\n.skip-link {\n  position: fixed;\n  top: 0;\n  left: 0;\n  right: 0;\n  text-align: center;\n  background-color: var(--pst-color-warning);\n  padding: 0.5rem;\n  z-index: $zindex-modal;\n  border-bottom: 1px solid var(--pst-color-border);\n\n  // This shows / hides the button\n  transform: translateY(-100%);\n  transition: transform 150ms ease-in-out;\n\n  &:focus-within {\n    transform: translateY(0%);\n  }\n\n  a {\n    // Ensure we are using a WCAG conformant colour\n    color: var(--pst-color-warning-text) !important;\n\n    &:focus-visible {\n      // use color with sufficient contrast\n      outline-color: $foundation-black;\n    }\n  }\n}\n","/*******************************************************************************\n* master color map. Only the colors that actually differ between light and dark\n* themes are specified separately.\n*\n* To see the full list of colors see https://www.figma.com/file/rUrrHGhUBBIAAjQ82x6pz9/PyData-Design-system---proposal-for-implementation-(2)?node-id=1234%3A765&t=ifcFT1JtnrSshGfi-1\n*/\n\n@use \"sass:map\";\n@use \"sass:meta\";\n@use \"sass:string\";\n\n/**\n* Function to get items from nested maps\n*/\n// @param {Map} $map - Map\n// @param {Arglist} $keys - Keys to fetch\n// @return {*}\n@function map-deep-get($map, $keys...) {\n  @each $key in $keys {\n    $map: map.get($map, $key);\n  }\n\n  @return $map;\n}\n\n/* Assign base colors for the PyData theme */\n$color-palette: (\n  // Primary color\n  \"teal\":\n    (\n      \"50\": #f4fbfc,\n      \"100\": #e9f6f8,\n      \"200\": #d0ecf1,\n      \"300\": #abdde6,\n      \"400\": #3fb1c5,\n      \"500\": #0a7d91,\n      \"600\": #085d6c,\n      \"700\": #064752,\n      \"800\": #042c33,\n      \"900\": #021b1f,\n    ),\n  // Secondary color\n  \"violet\":\n    (\n      \"50\": #f4eefb,\n      \"100\": #e0c7ff,\n      \"200\": #d5b4fd,\n      \"300\": #b780ff,\n      \"400\": #9c5ffd,\n      \"500\": #8045e5,\n      \"600\": #6432bd,\n      \"700\": #4b258f,\n      \"800\": #341a61,\n      \"900\": #1e0e39,\n    ),\n  // Neutrals\n  \"gray\":\n    (\n      \"50\": #f9f9fa,\n      \"100\": #f3f4f5,\n      \"200\": #e5e7ea,\n      \"300\": #d1d5da,\n      \"400\": #9ca4af,\n      \"500\": #677384,\n      \"600\": #48566b,\n      \"700\": #29313d,\n      \"800\": #222832,\n      \"900\": #14181e,\n    ),\n  // Accent color\n  \"pink\":\n    (\n      \"50\": #fcf8fd,\n      \"100\": #fcf0fa,\n      \"200\": #f8dff5,\n      \"300\": #f3c7ee,\n      \"400\": #e47fd7,\n      \"500\": #c132af,\n      \"600\": #912583,\n      \"700\": #6e1c64,\n      \"800\": #46123f,\n      \"900\": #2b0b27,\n    ),\n  \"foundation\": (\n    \"white\": #ffffff,\n    // gray-900\n    \"black\": #14181e,\n  )\n);\n\n:root {\n  // Add theme colours to the html root element\n  @each $group-color, $color in $color-palette {\n    @each $color-name, $definition in $color {\n      --pst-#{$group-color}-#{$color-name}: #{$definition};\n    }\n  }\n}\n\n// Static SCSS variables used thoroughout the theme\n// Minimum contrast ratio used for the theme.\n// Acceptable values for WCAG 2.0 are 3, 4.5 and 7.\n// See https://www.w3.org/TR/WCAG20/#visual-audio-contrast-contrast\n// 4.5 - is for text that is 14pt or less\n$min-contrast-ratio-4: 4.5;\n\n// 3 is for text that is 18pt or bold, or for non-text elements\n$min-contrast-ratio-3: 3;\n\n// Customize the light and dark text colors for use in our color contrast function.\n$foundation-black: #14181e;\n$foundation-white: #fff;\n\n// This is a custom - calculated  color between gray 100 and 200 - to reduce\n// the contrast ratio (avoid a jarring effect)\n$base-light-text: #ced6dd;\n\n// used in sphinx_design - gray 100\n$foundation-light-gray: #f3f4f5;\n\n// used in sphinx_design - gray 700\n$foundation-muted-gray: #29313d;\n\n// used in sphinx_design - gray 800\n$foundation-dark-gray: #222832;\n$pst-semantic-colors: (\n  \"primary\": (\n    \"light\": #{map-deep-get($color-palette, \"teal\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"teal\", \"200\")},\n    \"dark\": #{map-deep-get($color-palette, \"teal\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"teal\", \"800\")},\n  ),\n  \"secondary\": (\n    \"light\": #{map-deep-get($color-palette, \"violet\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"violet\", \"100\")},\n    \"dark\": #{map-deep-get($color-palette, \"violet\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"violet\", \"800\")},\n  ),\n  \"accent\": (\n    \"light\": #{map-deep-get($color-palette, \"pink\", \"500\")},\n    \"bg-light\": #{map-deep-get($color-palette, \"pink\", \"200\")},\n    \"dark\": #{map-deep-get($color-palette, \"pink\", \"400\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"pink\", \"800\")},\n  ),\n  \"info\": (\n    \"light\": #276be9,\n    \"bg-light\": #dce7fc,\n    \"dark\": #79a3f2,\n    \"bg-dark\": #06245d,\n  ),\n  \"warning\": (\n    \"light\": #f66a0a,\n    \"bg-light\": #f8e3d0,\n    \"dark\": #ff9245,\n    \"bg-dark\": #652a02,\n  ),\n  \"success\": (\n    \"light\": #00843f,\n    \"bg-light\": #d6ece1,\n    \"dark\": #5fb488,\n    \"bg-dark\": #002f17,\n  ),\n  // This is based on the warning color\n  \"attention\":\n    (\n      \"light\": var(--pst-color-warning),\n      \"bg-light\": var(--pst-color-warning-bg),\n      \"dark\": var(--pst-color-warning),\n      \"bg-dark\": var(--pst-color-warning-bg),\n    ),\n  \"danger\": (\n    \"light\": #d72d47,\n    \"bg-light\": #f9e1e4,\n    \"dark\": #e78894,\n    \"bg-dark\": #4e111b,\n  ),\n  \"text-base\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n    \"dark\": $base-light-text,\n  ),\n  \"text-muted\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"600\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"400\")},\n  ),\n  \"heading-color\": (\n    \"light\": #{$foundation-white},\n    \"dark\": #{$foundation-black},\n  ),\n  \"shadow\": (\n    \"light\": rgba(0, 0, 0, 0.1),\n    \"dark\": rgba(0, 0, 0, 0.2),\n  ),\n  \"border\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"300\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"600\")},\n  ),\n  \"border-muted\": (\n    \"light\": rgba(23, 23, 26, 0.2),\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"700\")},\n  ),\n  \"blockquote-notch\": (\n    // These colors have a contrast ratio > 3.0 against both the background and\n    // surface colors that the notch is sandwiched between\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"500\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"400\")},\n  ),\n  \"inline-code\": (\n    \"light\": #{map-deep-get($color-palette, \"pink\", \"600\")},\n    \"dark\": #{map-deep-get($color-palette, \"pink\", \"300\")},\n  ),\n  \"inline-code-links\": (\n    // need to make sure there is enough contrast against the code bg\n    \"light\": #{map-deep-get($color-palette, \"teal\", \"600\")},\n    // keep primary color for dark mode\n    \"dark\": #{map-deep-get($color-palette, \"teal\", \"400\")},\n  ),\n  \"target\": (\n    \"light\": #f3cf95,\n    \"dark\": #675c04,\n  ),\n  \"table\": (\n    \"light\": #{map-deep-get($color-palette, \"foundation\", \"black\")},\n    \"dark\": #{map-deep-get($color-palette, \"foundation\", \"white\")},\n  ),\n  \"table-row-hover\": (\n    \"bg-light\": #{map-deep-get($color-palette, \"violet\", \"300\")},\n    \"bg-dark\": #{map-deep-get($color-palette, \"violet\", \"600\")},\n  ),\n  \"table-inner-border\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"200\")},\n    \"dark\": #364150,\n  ),\n  // DEPTH COLORS - you can see the elevation colours and shades\n  // in the Figma file https://www.figma.com/file/rUrrHGhUBBIAAjQ82x6pz9/PyData-Design-system---proposal-for-implementation-(2)?node-id=1492%3A922&t=sQeQZehkOzposYEg-1\n  // background: color of the canvas / the furthest back layer\n  \"background\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"foundation\", \"white\")},\n      \"dark\": #{map-deep-get($color-palette, \"foundation\", \"black\")},\n    ),\n  // on-background: provides slight contrast against background\n  // (by use of shadows in light theme)\n  \"on-background\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"foundation\", \"white\")},\n      \"dark\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n    ),\n  \"surface\": (\n    \"light\": #{map-deep-get($color-palette, \"gray\", \"100\")},\n    \"dark\": #{map-deep-get($color-palette, \"gray\", \"700\")},\n  ),\n  // on_surface: object on top of surface object (without shadows)\n  \"on-surface\":\n    (\n      \"light\": #{map-deep-get($color-palette, \"gray\", \"800\")},\n      \"dark\": $foundation-light-gray,\n    ),\n);\n\n/*******************************************************************************\n* write the color rules for each theme (light/dark)\n*/\n\n/* NOTE:\n * Mixins enable us to reuse the same definitions for the different modes\n * https://sass-lang.com/documentation/at-rules/mixin\n * #{something} inserts a variable into a CSS selector or property name\n * https://sass-lang.com/documentation/interpolation\n */\n@mixin theme-colors($mode) {\n  // check if this color is defined differently for light/dark\n  @each $col-name, $definition in $pst-semantic-colors {\n    @if meta.type-of($definition) == map {\n      @each $key, $val in $definition {\n        @if string.index($key, $mode) {\n          // since now we define the bg colours in the semantic colours and not\n          // by changing opacity, we need to check if the key contains bg and the\n          // correct mode (light/dark)\n          @if string.index($key, \"bg\") {\n            --pst-color-#{$col-name}-bg: #{$val};\n          } @else {\n            --pst-color-#{$col-name}: #{$val};\n          }\n        }\n      }\n    } @else {\n      --pst-color-#{$col-name}: #{$definition};\n    }\n  }\n\n  // assign the \"duplicate\" colors (ones that just reference other variables)\n  & {\n    --pst-color-link: var(--pst-color-primary);\n    --pst-color-link-hover: var(--pst-color-secondary);\n    --pst-color-table-outer-border: var(--pst-color-surface);\n    --pst-color-table-heading-bg: var(--pst-color-surface);\n    --pst-color-table-row-zebra-high-bg: var(--pst-color-on-background);\n    --pst-color-table-row-zebra-low-bg: var(--pst-color-surface);\n  }\n\n  // adapt to light/dark-specific content\n  @if $mode == \"light\" {\n    .only-dark,\n    .only-dark ~ figcaption {\n      display: none !important;\n    }\n  } @else {\n    .only-light,\n    .only-light ~ figcaption {\n      display: none !important;\n    }\n\n    /* Adjust images in dark mode (unless they have class .only-dark or\n     * .dark-light, in which case assume they're already optimized for dark\n     * mode).\n     */\n    img:not(.only-dark, .dark-light) {\n      filter: brightness(0.8) contrast(1.2);\n    }\n\n    /* Give images a light background in dark mode in case they have\n    *  transparency and black text (unless they have class .only-dark or .dark-light, in\n    *  which case assume they're already optimized for dark mode).\n    */\n    .bd-content img:not(.only-dark, .dark-light) {\n      background-color: rgb(255 255 255);\n      border-radius: 0.25rem;\n    }\n\n    // MathJax SVG outputs should be filled to same color as text.\n    .MathJax_SVG * {\n      fill: var(--pst-color-text-base);\n    }\n  }\n}\n\n/* Defaults to light mode if data-theme is not set */\nhtml:not([data-theme]) {\n  @include theme-colors(\"light\");\n}\n\n/* NOTE: @each {...} is like a for-loop\n * https://sass-lang.com/documentation/at-rules/control/each\n */\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    @include theme-colors($mode);\n\n    color-scheme: $mode;\n  }\n}\n\n// assign classes too, for runtime use of theme colors\n@each $col-name, $definition in $pst-semantic-colors {\n  .pst-color-#{$col-name} {\n    color: var(--pst-color-#{$col-name});\n  }\n}\n",".bd-container {\n  flex-grow: 1;\n  display: flex;\n  justify-content: center;\n\n  .bd-container__inner {\n    display: flex;\n  }\n}\n\n.bd-page-width {\n  width: 100%;\n\n  @include media-breakpoint-up(lg) {\n    max-width: $breakpoint-page-width;\n  }\n}\n","// Breakpoint viewport sizes and media queries.\n//\n// Breakpoints are defined as a map of (name: minimum width), order from small to large:\n//\n//    (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px)\n//\n// The map defined in the `$grid-breakpoints` global variable is used as the `$breakpoints` argument by default.\n\n// Name of the next breakpoint, or null for the last breakpoint.\n//\n//    >> breakpoint-next(sm)\n//    md\n//    >> breakpoint-next(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    md\n//    >> breakpoint-next(sm, $breakpoint-names: (xs sm md lg xl xxl))\n//    md\n@function breakpoint-next($name, $breakpoints: $grid-breakpoints, $breakpoint-names: map-keys($breakpoints)) {\n  $n: index($breakpoint-names, $name);\n  @if not $n {\n    @error \"breakpoint `#{$name}` not found in `#{$breakpoints}`\";\n  }\n  @return if($n < length($breakpoint-names), nth($breakpoint-names, $n + 1), null);\n}\n\n// Minimum breakpoint width. Null for the smallest (first) breakpoint.\n//\n//    >> breakpoint-min(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    576px\n@function breakpoint-min($name, $breakpoints: $grid-breakpoints) {\n  $min: map-get($breakpoints, $name);\n  @return if($min != 0, $min, null);\n}\n\n// Maximum breakpoint width.\n// The maximum value is reduced by 0.02px to work around the limitations of\n// `min-` and `max-` prefixes and viewports with fractional widths.\n// See https://www.w3.org/TR/mediaqueries-4/#mq-min-max\n// Uses 0.02px rather than 0.01px to work around a current rounding bug in Safari.\n// See https://bugs.webkit.org/show_bug.cgi?id=178261\n//\n//    >> breakpoint-max(md, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    767.98px\n@function breakpoint-max($name, $breakpoints: $grid-breakpoints) {\n  $max: map-get($breakpoints, $name);\n  @return if($max and $max > 0, $max - .02, null);\n}\n\n// Returns a blank string if smallest breakpoint, otherwise returns the name with a dash in front.\n// Useful for making responsive utilities.\n//\n//    >> breakpoint-infix(xs, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"\"  (Returns a blank string)\n//    >> breakpoint-infix(sm, (xs: 0, sm: 576px, md: 768px, lg: 992px, xl: 1200px, xxl: 1400px))\n//    \"-sm\"\n@function breakpoint-infix($name, $breakpoints: $grid-breakpoints) {\n  @return if(breakpoint-min($name, $breakpoints) == null, \"\", \"-#{$name}\");\n}\n\n// Media of at least the minimum breakpoint width. No query for the smallest breakpoint.\n// Makes the @content apply to the given breakpoint and wider.\n@mixin media-breakpoint-up($name, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($name, $breakpoints);\n  @if $min {\n    @media (min-width: $min) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media of at most the maximum breakpoint width. No query for the largest breakpoint.\n// Makes the @content apply to the given breakpoint and narrower.\n@mixin media-breakpoint-down($name, $breakpoints: $grid-breakpoints) {\n  $max: breakpoint-max($name, $breakpoints);\n  @if $max {\n    @media (max-width: $max) {\n      @content;\n    }\n  } @else {\n    @content;\n  }\n}\n\n// Media that spans multiple breakpoint widths.\n// Makes the @content apply between the min and max breakpoints\n@mixin media-breakpoint-between($lower, $upper, $breakpoints: $grid-breakpoints) {\n  $min: breakpoint-min($lower, $breakpoints);\n  $max: breakpoint-max($upper, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($lower, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($upper, $breakpoints) {\n      @content;\n    }\n  }\n}\n\n// Media between the breakpoint's minimum and maximum widths.\n// No minimum for the smallest breakpoint, and no maximum for the largest one.\n// Makes the @content apply only to the given breakpoint, not viewports any wider or narrower.\n@mixin media-breakpoint-only($name, $breakpoints: $grid-breakpoints) {\n  $min:  breakpoint-min($name, $breakpoints);\n  $next: breakpoint-next($name, $breakpoints);\n  $max:  breakpoint-max($next, $breakpoints);\n\n  @if $min != null and $max != null {\n    @media (min-width: $min) and (max-width: $max) {\n      @content;\n    }\n  } @else if $max == null {\n    @include media-breakpoint-up($name, $breakpoints) {\n      @content;\n    }\n  } @else if $min == null {\n    @include media-breakpoint-down($next, $breakpoints) {\n      @content;\n    }\n  }\n}\n",".pst-async-banner-revealer {\n  // Setting height to 0 and overflow to hidden allows us to add up the heights\n  // of this element's children before revealing them.\n  height: 0;\n  overflow: hidden;\n\n  // Height to be set by JavaScript, which should trigger the following\n  // transition rule (unless the user has set their system to reduce motion).\n  transition: height 300ms ease-in-out;\n\n  @media (prefers-reduced-motion) {\n    transition: none;\n  }\n}\n\n#bd-header-version-warning,\n.bd-header-announcement {\n  min-height: 3rem;\n  width: 100%;\n  display: flex;\n  position: relative;\n  align-items: center;\n  justify-content: center;\n  text-align: center;\n  padding: 0.5rem 12.5%; // Horizontal padding so the width is 75%\n  // One breakpoint less than $breakpoint-sidebar-primary. See variables/_layout.scss for more info.\n  @include media-breakpoint-down(lg) {\n    // Announcements can take a bit more width on mobile\n    padding: 0.5rem 2%;\n  }\n\n  p {\n    font-weight: bold;\n    margin: 0;\n  }\n\n  // Ensure there is enough contrast against the background\n  a {\n    color: var(--pst-color-inline-code-links);\n  }\n\n  // The \"Switch to stable version\" link (styled like a button)\n  .pst-button-link-to-stable-version {\n    @include box-shadow;\n\n    $background-color: var(--pst-color-danger);\n    $hover-background-color: var(--pst-color-danger-highlight);\n    $color: var(--pst-color-danger-text);\n\n    background-color: $background-color;\n    border-color: $background-color;\n    color: $color;\n    border-radius: 0.25rem;\n\n    &:hover {\n      background-color: $hover-background-color;\n      border-color: $hover-background-color;\n      color: $color;\n    }\n\n    &:focus-visible {\n      outline: $focus-ring-width solid $background-color;\n      outline-offset: $focus-ring-width;\n    }\n  }\n}\n\n// Bg color is now defined in the theme color palette - using our secondary color\n.bd-header-announcement {\n  background-color: var(--pst-color-secondary-bg);\n}\n\n#bd-header-version-warning {\n  background-color: var(--pst-color-danger-bg);\n}\n","/*********************************************\n* SASS Mixins\n*********************************************/\n\n/**\n * A consistent box shadow style we apply across elements.\n */\n@mixin box-shadow() {\n  box-shadow:\n    0 0.2rem 0.5rem var(--pst-color-shadow),\n    0 0 0.0625rem var(--pst-color-shadow) !important;\n}\n\n/**\n   * Set background of some cell outputs to white-ish to make sure colors work\n   * This is because many libraries make output that only looks good on white\n   */\n@mixin cell-output-background {\n  color: var(--pst-color-on-background);\n  background-color: var(--pst-color-text-base);\n  border-radius: 0.25rem;\n  padding: 0.5rem;\n}\n\n@mixin table-colors {\n  color: var(--pst-color-table);\n  border: 1px solid var(--pst-color-table-outer-border);\n\n  th,\n  td {\n    ~ th,\n    ~ td {\n      border-left: 1px solid var(--pst-color-table-inner-border);\n    }\n  }\n\n  thead {\n    tr {\n      background-color: var(--pst-color-table-heading-bg);\n      border-bottom: 2px solid var(--pst-color-primary);\n    }\n  }\n\n  tbody {\n    tr {\n      &:nth-child(odd) {\n        background-color: var(--pst-color-table-row-zebra-low-bg);\n      }\n\n      &:nth-child(even) {\n        background-color: var(--pst-color-table-row-zebra-high-bg);\n      }\n\n      &:hover {\n        background-color: var(--pst-color-table-row-hover-bg);\n      }\n    }\n  }\n}\n\n// Minimum mouse hit area\n// ----------------------\n// Ensures that the element has a minimum hit area that conforms to\n// accessibility guidelines. For WCAG AA, we need 24px x 24px, see:\n// https://www.w3.org/WAI/WCAG22/Understanding/target-size-minimum.html\n@mixin min-hit-area() {\n  box-sizing: border-box;\n  min-width: 24px;\n  min-height: 24px;\n}\n","/**\n * Main content area\n */\n.bd-main {\n  flex-grow: 1;\n  flex-direction: column;\n  display: flex;\n  min-width: 0;\n\n  .bd-content {\n    display: flex;\n    justify-content: center;\n    height: 100%;\n\n    .bd-article-container {\n      justify-content: start;\n      display: flex;\n      flex-direction: column;\n\n      // Max-width is slightly more than the W3 since our docs often have images.\n      // We shoot for about 100 characters per line instead of 80.\n      // ref: https://www.w3.org/WAI/tutorials/page-structure/styling/#line-length\n      width: 100%;\n      max-width: 60em;\n      overflow-x: auto; // Prevent wide content from pushing off the secondary sidebar\n      padding: 1rem;\n\n      .bd-article {\n        // Give a bit more verticle spacing on wide screens\n        @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n          padding-top: 1.5rem;\n          padding-left: 2rem;\n        }\n      }\n    }\n  }\n}\n",".bd-footer {\n  width: 100%;\n  border-top: 1px solid var(--pst-color-border);\n\n  .bd-footer__inner {\n    display: flex;\n    flex-grow: 1;\n    padding: 1rem;\n    margin: auto;\n  }\n\n  .footer-items__start,\n  .footer-items__center,\n  .footer-items__end {\n    display: flex;\n    flex-direction: column;\n    gap: 0.5rem;\n    justify-content: center;\n    flex-grow: 1;\n  }\n\n  .footer-items__center {\n    text-align: center;\n  }\n\n  .footer-items__end {\n    text-align: end;\n  }\n\n  // So that paragraphs don't take up extra room\n  .footer-item p {\n    margin-bottom: 0;\n  }\n}\n",".bd-footer-article {\n  margin-top: auto;\n\n  .footer-article-items {\n    display: flex;\n    flex-direction: column;\n  }\n}\n",".bd-footer-content {\n  .footer-content-items {\n    display: flex;\n    flex-direction: column;\n    margin-top: auto;\n  }\n}\n","/**\n * Header at the top of the page\n * It includes the announcement bar and the navigation bar.\n */\n\n// Styling for the Icon links can be found in components/_icon-links.scss\n\n// If we want the shadow to only point downward in the future, set\n// box-shadow to: 0 0.125rem 0.25rem -0.125rem rgba(0, 0, 0, 0.11);\n.bd-header {\n  position: sticky;\n  top: 0;\n  z-index: $zindex-fixed;\n\n  // Overrides bootstrap\n  background-color: var(--pst-color-on-background) !important;\n  box-shadow: 0 0.125rem 0.25rem 0 var(--pst-color-shadow);\n  width: 100%;\n  padding: 0;\n  max-width: 100vw;\n  justify-content: center;\n\n  .bd-header__inner {\n    display: flex;\n    align-items: center;\n    height: fit-content;\n    padding-left: 1rem;\n    padding-right: 1rem;\n  }\n\n  :focus-visible {\n    border-radius: $focus-ring-radius;\n  }\n\n  // These items will define the height of the header\n  .navbar-item {\n    height: var(--pst-header-height);\n    max-height: var(--pst-header-height);\n    display: flex;\n    align-items: center;\n  }\n\n  // Hide the navbar header items on mobile because they're in the sidebar\n  .navbar-header-items {\n    display: none;\n    flex-shrink: 1;\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: inherit;\n      flex-grow: 1;\n      padding: 0 0 0 0.5rem;\n    }\n  }\n\n  .navbar-header-items__end,\n  .navbar-header-items__center,\n  .navbar-header-items__start {\n    display: flex;\n    align-items: center;\n    flex-flow: wrap;\n\n    // In case we wrap our items to multiple rows on small screens\n    row-gap: 0;\n  }\n\n  .navbar-header-items__end,\n  .navbar-header-items__center {\n    column-gap: 1rem;\n  }\n\n  // A little smaller because this is displayed by default on mobile\n  .navbar-header-items__start {\n    flex-shrink: 0;\n    margin-right: auto;\n    gap: 0.5rem;\n  }\n\n  .navbar-header-items__end {\n    // End navbar items should snap to the right\n    justify-content: end;\n  }\n\n  // Contains the navigation links within the navbar\n  ul.navbar-nav {\n    display: flex;\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      // Align on wide screens so the dropdown button is centered properly\n      align-items: baseline;\n    }\n\n    > li.nav-item {\n      margin-inline: 2px; // breathing room so hover and focus styles do not overlap\n\n      > .nav-link {\n        @include link-style-block;\n\n        padding-inline: 6px;\n      }\n\n      &.current {\n        > .nav-link {\n          color: var(--pst-color-primary);\n\n          // Underline the current navbar item\n          &::before {\n            border-bottom: 3px solid var(--pst-color-primary);\n          }\n        }\n      }\n\n      &.dropdown {\n        margin-inline: 4px;\n\n        button {\n          padding-inline: 8px;\n        }\n\n        > .dropdown-toggle {\n          border-radius: $focus-ring-radius; // make border radius the same for both hover ring and focus ring\n          color: var(--pst-color-text-muted);\n\n          &:focus-visible {\n            box-shadow: $focus-ring-box-shadow;\n          }\n\n          &:hover {\n            text-decoration: none;\n            box-shadow: 0 0 0 $focus-ring-width var(--pst-color-link-hover); // purple focus ring\n            // Brighten the text on hover (muted -> base)\n            color: var(--pst-color-text-base);\n          }\n        }\n      }\n    }\n\n    li a.nav-link.dropdown-item {\n      @include link-style-text;\n    }\n\n    // Dropdowns for the extra links\n    .dropdown {\n      button {\n        display: unset;\n        border: none;\n\n        &:hover {\n          @include link-style-hover;\n        }\n      }\n\n      .dropdown-menu {\n        z-index: $zindex-popover;\n        border: 1px solid var(--pst-color-border);\n        box-shadow: 0 0 0.3rem 0.1rem var(--pst-color-shadow);\n        background-color: var(--pst-color-on-background);\n        padding: 0.5rem 0;\n        margin: 0.5rem 0;\n        min-width: 20rem;\n\n        .dropdown-item {\n          // Give the items in the dropdown some breathing room but let the hit\n          // and hover area of the items extend to the edges of the menu\n          padding: 0.25rem 1.5rem;\n\n          // Override Bootstrap\n          &:focus:not(:hover, :active) {\n            background-color: inherit;\n          }\n\n          &:focus-visible {\n            z-index: 10; // keep focus ring on top (prevent the hover background of the next dropdown item from covering the ring)\n          }\n        }\n\n        // Hide the menu unless show has been clicked\n        &:not(.show) {\n          display: none;\n        }\n      }\n    }\n  }\n\n  // **************************************************************\n  // Showing and hiding the sidebar toggle buttons and header items\n  // **************************************************************\n\n  // Toggle buttons\n  button.sidebar-toggle {\n    font-size: var(--pst-font-size-icon);\n    color: var(--pst-color-muted);\n    margin-bottom: 0;\n    background-color: inherit;\n    padding: 0.5rem;\n  }\n\n  button.primary-toggle {\n    margin-right: 1rem;\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: none;\n    }\n  }\n\n  button.secondary-toggle {\n    margin-left: 1rem;\n\n    @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n      display: none;\n    }\n  }\n}\n\n// inline the element in the navbar as long as they fit and use display block when collapsing\n@include media-breakpoint-up($breakpoint-sidebar-primary) {\n  .navbar-center-items .navbar-item {\n    display: inline-block;\n  }\n}\n\n.nav-link {\n  &:hover {\n    @include link-style-hover;\n  }\n\n  // Override Bootstrap\n  transition: none;\n\n  &.nav-external::after {\n    font: var(--fa-font-solid);\n    content: var(--pst-icon-external-link);\n    font-size: 0.75em;\n    margin-left: 0.3em;\n  }\n}\n\n.bd-navbar-elements li.nav-item i {\n  font-size: 0.7rem;\n  padding-left: 2px;\n  vertical-align: middle;\n}\n\n// THe elements next to the hamburger menu only show on narrow screens\n.navbar-persistent--mobile {\n  margin-left: auto;\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: none;\n  }\n}\n\n// The navbar-persistent content should only show on wide screens\n.navbar-persistent--container {\n  display: none;\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: flex;\n  }\n}\n",".header-article__inner {\n  display: flex;\n  padding: 0 0.5rem;\n\n  // The items define the height so that it disappears if there are no items\n  .header-article-item {\n    min-height: var(--pst-header-article-height);\n    height: var(--pst-header-article-height);\n  }\n\n  .header-article-items__start,\n  .header-article-items__end {\n    display: flex;\n    align-items: start;\n    gap: 0.5rem;\n  }\n\n  .header-article-items__end {\n    margin-left: auto;\n  }\n}\n","/**\n * The primary sidebar on the left.\n * e.g., between-pages navigation.\n */\n\n$sidebar-padding-right: 1rem;\n\n.bd-sidebar-primary {\n  display: flex;\n  flex-direction: column;\n  gap: 1rem;\n  max-height: calc(100vh - var(--pst-header-height));\n  position: sticky;\n  top: var(--pst-header-height);\n\n  @include make-col(3);\n\n  // Borders padding and whitespace\n  padding: 2rem $sidebar-padding-right 1rem 1rem;\n  border-right: 1px solid var(--pst-color-border);\n  background-color: var(--pst-color-background);\n  overflow-y: auto;\n  font-size: var(--pst-sidebar-font-size-mobile);\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    font-size: var(--pst-sidebar-font-size);\n  }\n\n  :focus-visible {\n    border-radius: $focus-ring-radius;\n  }\n\n  // override bootstrap when navlink are displayed in the sidebar\n  .nav-link {\n    font-size: var(--pst-sidebar-font-size-mobile);\n  }\n\n  &.no-sidebar {\n    border-right: 0;\n  }\n\n  &.hide-on-wide {\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: none;\n    }\n  }\n\n  // Headers shouldn't be colored in the sidebars and some extensions add headers\n  h1,\n  h2,\n  h3,\n  h4 {\n    color: var(--pst-color-text-base);\n  }\n\n  .sidebar-primary-items__start,\n  .sidebar-primary-items__end {\n    .sidebar-primary-item {\n      padding: 0.5rem 0;\n    }\n  }\n\n  // Hide the sidebar header items on widescreen since they are visible in the header\n  .sidebar-header-items {\n    display: flex;\n    flex-direction: column;\n\n    .sidebar-header-items__title {\n      font-weight: var(--pst-sidebar-header-font-weight);\n      font-size: var(--pst-sidebar-header-font-size);\n      color: var(--pst-color-text-base);\n      margin-bottom: 0.5rem;\n    }\n\n    // The dropdown toggle for extra links just shows them all instead.\n    .nav-item.dropdown {\n      // On mobile, the dropdown behaves like any other link, no hiding\n      button {\n        display: none;\n      }\n\n      .dropdown-menu {\n        display: flex;\n        flex-direction: column;\n        padding: 0;\n        margin: 0;\n        border: none;\n        background-color: inherit;\n        font-size: inherit;\n\n        .dropdown-item {\n          &:hover,\n          &:focus {\n            // In the mobile sidebar, the dropdown menu is inlined with the\n            // other links, which do not have background-color changes on hover\n            // and focus\n            background-color: unset;\n          }\n        }\n      }\n    }\n\n    .bd-navbar-elements {\n      .nav-link {\n        &:focus-visible {\n          box-shadow: none; // Override Bootstrap\n          outline: $focus-ring-outline;\n          outline-offset: $focus-ring-width;\n        }\n      }\n    }\n\n    // Center header items get displayed vertically, end items are displayed horizontally\n    .sidebar-header-items__center {\n      display: flex;\n      flex-direction: column;\n    }\n\n    // Positioning end items\n    .sidebar-header-items__end {\n      display: flex;\n      align-items: center;\n      gap: 1rem;\n    }\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      display: none;\n    }\n  }\n\n  .sidebar-primary-items__start {\n    // Add a border on mobile to separate it from the header sidebar area\n    border-top: 1px solid var(--pst-color-border);\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      border-top: none;\n    }\n  }\n\n  .sidebar-primary-items__end {\n    margin-top: auto;\n    margin-bottom: 1em;\n  }\n\n  .list-caption {\n    list-style: none;\n    padding-left: 0;\n\n    // Level 0 TOC heading is put inside the <summary> tag\n    // so let the <summary> tag take up more space\n    li.toctree-l0.has-children {\n      > details {\n        > summary {\n          position: relative;\n          height: auto;\n          width: auto;\n          display: flex;\n          justify-content: space-between;\n          align-items: baseline;\n\n          .toctree-toggle {\n            // Prevent toggle icon from getting squished by summary being a\n            // flexbox\n            flex: 0 0 auto;\n\n            // Make the level 0 chevron icon slightly bigger than descendant\n            // levels\n            .fa-chevron-down {\n              font-size: 1rem;\n            }\n          }\n        }\n      }\n    }\n  }\n\n  li.has-children {\n    $toctree-toggle-width: 30px;\n\n    position: relative;\n\n    > .reference,\n    .caption {\n      margin-right: calc(\n        $toctree-toggle-width + $focus-ring-width\n      ); // keep clear of the toggle icon\n\n      padding-top: 0.25rem; // align caption text with toggle chevron\n    }\n\n    > details {\n      > summary {\n        // Remove browser default toggle icon\n        list-style: none;\n\n        &::-webkit-details-marker {\n          display: none;\n        }\n\n        // The summary element is natively focusable, but delegate the focus state to the toggle icon\n        &:focus-visible {\n          outline: none;\n\n          > .toctree-toggle {\n            outline: $focus-ring-outline;\n            outline-offset: -$focus-ring-width; // Prevent right side of focus ring from disappearing underneath the sidebar's right edge\n          }\n        }\n\n        // Container for expand/collapse chevron icon\n        .toctree-toggle {\n          cursor: pointer;\n\n          // Position it so that it's aligned with the top right corner of the\n          // last positioned element, in this case the li.has-children\n          position: absolute;\n          top: 0;\n          right: 0;\n\n          // Give it dimensions\n          width: $toctree-toggle-width;\n          height: $toctree-toggle-width; // make it square\n\n          // Vertically and horizontally center the icon within the container\n          display: inline-flex;\n          justify-content: center;\n          align-items: center;\n\n          .fa-chevron-down {\n            font-size: 0.75rem;\n          }\n        }\n      }\n\n      // The section is open/expanded, rotate the toggle icon (chevron) so it\n      // points up instead of down\n      &[open] {\n        > summary {\n          .fa-chevron-down {\n            transform: rotate(180deg);\n          }\n        }\n      }\n    }\n  }\n}\n\n/* Between-page links and captions */\nnav.bd-links {\n  margin-right: -$sidebar-padding-right; // align toctree toggle chevrons with right edge of sidebar and allow text to flow closer to the right edge\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    display: block;\n  }\n\n  ul {\n    display: block;\n    list-style: none;\n\n    // Reduce padding of nested `ul` items a bit\n    ul {\n      padding: 0 0 0 1rem;\n    }\n  }\n\n  li > a {\n    display: block;\n    padding: 0.25rem 0.65rem;\n\n    @include link-sidebar;\n\n    box-shadow: none;\n    margin-right: $focus-ring-width; // prevent the right side focus ring from disappearing under the sidebar right edge\n\n    &.reference.external {\n      &::after {\n        font: var(--fa-font-solid);\n        content: var(--pst-icon-external-link);\n        font-size: 0.75em;\n        margin-left: 0.3em;\n      }\n    }\n  }\n\n  .current > a {\n    @include link-sidebar-current;\n\n    background-color: transparent;\n  }\n\n  // Title\n  p.bd-links__title {\n    font-size: var(--pst-sidebar-header-font-size);\n    font-weight: var(--pst-sidebar-header-font-weight);\n    margin-bottom: 0.5rem;\n  }\n\n  // Toctree captions\n  p.caption {\n    font-weight: var(--pst-sidebar-header-font-weight);\n    position: relative;\n    margin-top: 1.25rem;\n    margin-bottom: 0.5rem;\n    color: var(--pst-color-text-base);\n\n    &:first-child {\n      margin-top: 0;\n    }\n\n    font-size: var(--pst-sidebar-font-size-mobile);\n\n    @include media-breakpoint-up($breakpoint-sidebar-primary) {\n      font-size: var(--pst-sidebar-font-size);\n    }\n  }\n}\n","// Grid system\n//\n// Generate semantic grid columns with these mixins.\n\n@mixin make-row($gutter: $grid-gutter-width) {\n  --#{$prefix}gutter-x: #{$gutter};\n  --#{$prefix}gutter-y: 0;\n  display: flex;\n  flex-wrap: wrap;\n  // TODO: Revisit calc order after https://github.com/react-bootstrap/react-bootstrap/issues/6039 is fixed\n  margin-top: calc(-1 * var(--#{$prefix}gutter-y)); // stylelint-disable-line function-disallowed-list\n  margin-right: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n  margin-left: calc(-.5 * var(--#{$prefix}gutter-x)); // stylelint-disable-line function-disallowed-list\n}\n\n@mixin make-col-ready() {\n  // Add box sizing if only the grid is loaded\n  box-sizing: if(variable-exists(include-column-box-sizing) and $include-column-box-sizing, border-box, null);\n  // Prevent columns from becoming too narrow when at smaller grid tiers by\n  // always setting `width: 100%;`. This works because we set the width\n  // later on to override this initial width.\n  flex-shrink: 0;\n  width: 100%;\n  max-width: 100%; // Prevent `.col-auto`, `.col` (& responsive variants) from breaking out the grid\n  padding-right: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  padding-left: calc(var(--#{$prefix}gutter-x) * .5); // stylelint-disable-line function-disallowed-list\n  margin-top: var(--#{$prefix}gutter-y);\n}\n\n@mixin make-col($size: false, $columns: $grid-columns) {\n  @if $size {\n    flex: 0 0 auto;\n    width: percentage(divide($size, $columns));\n\n  } @else {\n    flex: 1 1 0;\n    max-width: 100%;\n  }\n}\n\n@mixin make-col-auto() {\n  flex: 0 0 auto;\n  width: auto;\n}\n\n@mixin make-col-offset($size, $columns: $grid-columns) {\n  $num: divide($size, $columns);\n  margin-left: if($num == 0, 0, percentage($num));\n}\n\n// Row columns\n//\n// Specify on a parent element(e.g., .row) to force immediate children into NN\n// number of columns. Supports wrapping to new lines, but does not do a Masonry\n// style grid.\n@mixin row-cols($count) {\n  > * {\n    flex: 0 0 auto;\n    width: percentage(divide(1, $count));\n  }\n}\n\n// Framework grid generation\n//\n// Used only by Bootstrap to generate the correct number of grid classes given\n// any value of `$grid-columns`.\n\n@mixin make-grid-columns($columns: $grid-columns, $gutter: $grid-gutter-width, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      // Provide basic `.col-{bp}` classes for equal-width flexbox columns\n      .col#{$infix} {\n        flex: 1 0 0%; // Flexbugs #4: https://github.com/philipwalton/flexbugs#flexbug-4\n      }\n\n      .row-cols#{$infix}-auto > * {\n        @include make-col-auto();\n      }\n\n      @if $grid-row-columns > 0 {\n        @for $i from 1 through $grid-row-columns {\n          .row-cols#{$infix}-#{$i} {\n            @include row-cols($i);\n          }\n        }\n      }\n\n      .col#{$infix}-auto {\n        @include make-col-auto();\n      }\n\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .col#{$infix}-#{$i} {\n            @include make-col($i, $columns);\n          }\n        }\n\n        // `$columns - 1` because offsetting by the width of an entire row isn't possible\n        @for $i from 0 through ($columns - 1) {\n          @if not ($infix == \"\" and $i == 0) { // Avoid emitting useless .offset-0\n            .offset#{$infix}-#{$i} {\n              @include make-col-offset($i, $columns);\n            }\n          }\n        }\n      }\n\n      // Gutters\n      //\n      // Make use of `.g-*`, `.gx-*` or `.gy-*` utilities to change spacing between the columns.\n      @each $key, $value in $gutters {\n        .g#{$infix}-#{$key},\n        .gx#{$infix}-#{$key} {\n          --#{$prefix}gutter-x: #{$value};\n        }\n\n        .g#{$infix}-#{$key},\n        .gy#{$infix}-#{$key} {\n          --#{$prefix}gutter-y: #{$value};\n        }\n      }\n    }\n  }\n}\n\n@mixin make-cssgrid($columns: $grid-columns, $breakpoints: $grid-breakpoints) {\n  @each $breakpoint in map-keys($breakpoints) {\n    $infix: breakpoint-infix($breakpoint, $breakpoints);\n\n    @include media-breakpoint-up($breakpoint, $breakpoints) {\n      @if $columns > 0 {\n        @for $i from 1 through $columns {\n          .g-col#{$infix}-#{$i} {\n            grid-column: auto / span $i;\n          }\n        }\n\n        // Start with `1` because `0` is an invalid value.\n        // Ends with `$columns - 1` because offsetting by the width of an entire row isn't possible.\n        @for $i from 1 through ($columns - 1) {\n          .g-start#{$infix}-#{$i} {\n            grid-column-start: $i;\n          }\n        }\n      }\n    }\n  }\n}\n","/**\n * Secondary sidebar on the right.\n * e.g., in-page table of contents.\n */\n.bd-sidebar-secondary {\n  display: flex;\n  order: 2;\n  flex-shrink: 0;\n  flex-direction: column;\n  position: sticky;\n  top: var(--pst-header-height);\n  max-height: calc(100vh - var(--pst-header-height));\n  padding: 2rem 1rem 1rem;\n  width: var(--pst-sidebar-secondary);\n  font-size: var(--pst-sidebar-font-size-mobile);\n\n  @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n    font-size: var(--pst-sidebar-font-size);\n  }\n\n  // Color and border\n  background-color: var(--pst-color-background);\n  overflow-y: auto;\n}\n\n.sidebar-secondary-item {\n  padding: 0.5rem;\n\n  @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n    border-left: 1px solid var(--pst-color-border);\n    padding-left: 1rem;\n  }\n\n  i {\n    padding-right: 0.5rem;\n  }\n}\n","/*******************************************************************************\n* Rules for the UX/UI of sidebar sliding drawers on mobile\n* Note that this sheet controls styles across many parts of the theme\n* It is aggregated into this one sheet instead of being split across\n* components in order to keep it easier to debug in one place.\n* It is broken up into major sections below.\n*/\n\n/*******************************************************************************\n* Buttons and overlays\n*/\ninput.sidebar-toggle {\n  display: none;\n}\n\n// Background overlays\nlabel.overlay {\n  background-color: black;\n  opacity: 0.5;\n  height: 0;\n  width: 0;\n  position: fixed;\n  top: 0;\n  left: 0;\n  transition: opacity $animation-time ease-out;\n  z-index: $zindex-modal-backdrop;\n}\n\ninput {\n  // Show the correct overlay when its input is checked\n  &#pst-primary-sidebar-checkbox:checked + label.overlay.overlay-primary,\n  &#pst-secondary-sidebar-checkbox:checked + label.overlay.overlay-secondary {\n    height: 100vh;\n    width: 100vw;\n  }\n\n  // Primary sidebar slides in from the left\n  &#pst-primary-sidebar-checkbox:checked ~ .bd-container .bd-sidebar-primary {\n    visibility: visible;\n    margin-left: 0;\n  }\n\n  // Secondary sidebar slides in from the right\n  &#pst-secondary-sidebar-checkbox:checked\n    ~ .bd-container\n    .bd-sidebar-secondary {\n    visibility: visible;\n    margin-right: 0;\n  }\n}\n\n/*******************************************************************************\n* Sidebar drawer behavior\n*/\n\n/**\n * Behavior for sliding drawer elements that will be toggled with an input\n *\n * NOTE: We use this mixin to define the toggle behavior on narrow screens,\n * And the wide-screen behavior of the sections is defined in their own section\n * .scss files.\n */\n@mixin sliding-drawer($side: \"left\") {\n  position: fixed;\n  top: 0;\n  z-index: $zindex-modal;\n  height: 100vh;\n  max-height: 100vh;\n  width: 75%;\n  flex-grow: 0.75;\n  max-width: 350px;\n  transition:\n    visibility $animation-time ease-out,\n    margin $animation-time ease-out;\n  visibility: hidden;\n\n  @if $side == \"right\" {\n    margin-right: -75%;\n    right: 0;\n  } @else {\n    margin-left: -75%;\n    left: 0;\n  }\n}\n\n// Primary sidebar hides/shows at earlier widths\n@include media-breakpoint-up($breakpoint-sidebar-primary) {\n  .sidebar-toggle.primary-toggle {\n    display: none;\n  }\n\n  input#pst-primary-sidebar-checkbox {\n    &:checked + label.overlay.overlay-primary {\n      height: 0;\n      width: 0;\n    }\n  }\n\n  .bd-sidebar-primary {\n    margin-left: 0;\n    visibility: visible;\n  }\n}\n\n.bd-sidebar-primary {\n  @include media-breakpoint-down($breakpoint-sidebar-primary) {\n    @include sliding-drawer(\"left\");\n  }\n}\n\n.bd-sidebar-secondary {\n  @include media-breakpoint-down($breakpoint-sidebar-secondary) {\n    @include sliding-drawer(\"right\");\n  }\n}\n","/**\n * Breadcrumbs for parent pages meant for the article header\n */\nul.bd-breadcrumbs {\n  list-style: none;\n  padding-left: 0;\n  display: flex;\n  flex-wrap: wrap;\n\n  // Font size slightly smaller to avoid cluttering up space too much\n  font-size: 0.8rem;\n\n  li.breadcrumb-item {\n    display: flex;\n    align-items: center;\n\n    // Style should look like heavier in-page links\n    // keeping visited in the default link colour\n    font-weight: bold;\n\n    a {\n      @include link-style-text;\n    }\n\n    // Items that aren't the home have a caret to the left\n    &:not(.breadcrumb-home)::before {\n      font: var(--fa-font-solid);\n      font-size: 0.8rem;\n      content: var(--pst-breadcrumb-divider);\n      color: var(--pst-color-text-muted);\n      padding: 0 0.5rem;\n    }\n  }\n}\n","/**\n * Icon links in the navbar\n */\n\n.pst-navbar-icon {\n  // Extra specificity needed for overrides\n  html & {\n    @include min-hit-area;\n    @include link-style-block;\n\n    display: flex;\n    align-items: center;\n    justify-content: center;\n\n    // Bootstrap overrides\n    border-radius: 0;\n    border: none;\n    font-size: 1rem;\n    line-height: $line-height-body; // Override Boostrap, which defines a separate line-height for buttons\n    padding: $navbar-link-padding-y 0; // Horizontal white space in nav bar between items is controlled via column gap rule on the container.\n\n    // Make the navbar icon links have the same size as the navbar text links\n    height: calc(2 * $navbar-link-padding-y + $line-height-body * 1rem);\n  }\n}\n\nul.navbar-icon-links {\n  display: flex;\n  flex-flow: row wrap;\n  column-gap: 1rem;\n  justify-content: space-evenly;\n  align-items: center;\n  padding-left: 0;\n  margin-bottom: 0;\n  list-style: none;\n\n  // Icons styling\n  i {\n    &.fa-brands,\n    &.fa-regular,\n    &.fa-solid {\n      vertical-align: middle;\n      font-style: normal;\n      font-size: var(--pst-font-size-icon);\n    }\n\n    /* Social media buttons hard-code the brand color */\n    &.fa-square-twitter::before {\n      color: #55acee;\n    }\n\n    &.fa-square-gitlab::before {\n      color: #548;\n    }\n\n    &.fa-bitbucket::before {\n      color: #0052cc;\n    }\n  }\n\n  // Force images to be icon-sized\n  img.icon-link-image {\n    height: 1.5em;\n    border-radius: 0.2rem;\n  }\n\n  .fa-pydata {\n    stroke: var(--pst-color-background);\n    stroke-linejoin: round;\n    stroke-width: 0.35;\n  }\n}\n","/**\n * Logo in the navbar\n */\n\n.navbar-brand {\n  position: relative;\n  height: var(--pst-header-height);\n  max-height: var(--pst-header-height);\n  padding: 0.5rem 0;\n  width: auto;\n  margin: 0;\n  display: flex;\n\n  // Ensure that the logo stays the same length while other content shrinks\n  flex-shrink: 0;\n  align-items: center;\n  gap: 0.5rem;\n\n  // If there's no logo image, we use a p element w/ the site title\n  p {\n    color: var(--pst-color-text-base);\n    margin-bottom: 0;\n  }\n\n  // If there's a logo, it'll be in an img block\n  img {\n    max-width: 100%;\n    height: 100%;\n    width: auto;\n  }\n\n  &:hover,\n  &:visited:hover {\n    @include link-style-hover;\n\n    color: var(--pst-color-text-base);\n  }\n}\n","/**\n * Navigation links in the navbar and icon links\n */\nul.navbar-nav {\n  // Reduce padding of nested `ul` items a bit\n  ul {\n    padding: 0 0 0 1rem;\n  }\n\n  // Navbar links - do not have an underline by default\n  li {\n    display: flex;\n    flex-direction: column;\n\n    a {\n      display: flex;\n      align-items: center;\n      height: 100%;\n      padding-top: $navbar-link-padding-y;\n      padding-bottom: $navbar-link-padding-y;\n\n      @include link-style-text;\n    }\n  }\n}\n","/**\n * The list of in-page TOC links\n */\n.page-toc {\n  .section-nav {\n    padding-left: 0;\n    border-bottom: none;\n\n    ul {\n      padding-left: 1rem;\n    }\n  }\n\n  // override bootstrap settings\n  .nav-link {\n    font-size: var(--pst-sidebar-font-size-mobile);\n\n    @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n      font-size: var(--pst-sidebar-font-size);\n    }\n  }\n\n  .onthispage {\n    color: var(--pst-color-text-base);\n    font-weight: var(--pst-sidebar-header-font-weight);\n    margin-bottom: 0.5rem;\n  }\n}\n","/**\n* Previous / Next navigation buttons\n**/\n.prev-next-area {\n  width: 100%;\n\n  p {\n    color: var(--pst-color-text-muted);\n    margin: 0 0.3em;\n    line-height: 1.3em;\n  }\n\n  i {\n    font-size: 1.2em;\n  }\n\n  a {\n    // So that buttons align with icons\n    display: flex;\n    align-items: center;\n    border: none;\n    padding: 10px;\n    max-width: 45%;\n    overflow-x: hidden;\n    color: var(--pst-color-text-muted);\n    text-decoration: none;\n\n    p.prev-next-title {\n      @include link-style-default;\n\n      font-weight: var(--pst-admonition-font-weight-heading);\n      font-size: 1.1em;\n    }\n\n    &:hover,\n    &:visited:hover {\n      p.prev-next-title {\n        @include link-style-hover;\n      }\n    }\n\n    .prev-next-info {\n      flex-direction: column;\n      margin: 0 0.5em;\n\n      .prev-next-subtitle {\n        text-transform: capitalize;\n      }\n    }\n\n    &.left-prev {\n      float: left;\n    }\n\n    &.right-next {\n      float: right;\n\n      div.prev-next-info {\n        text-align: right;\n      }\n    }\n  }\n}\n","/**\n * Search field\n **/\n.bd-search {\n  position: relative;\n  padding-left: 0.5rem;\n  gap: 0.5rem;\n  background-color: var(--pst-color-background);\n  border-radius: $admonition-border-radius;\n  border: 1px solid var(--pst-color-border);\n  color: var(--pst-color-text-base);\n\n  // Background should always be same color regardless of active or not\n  &:active {\n    background-color: var(--pst-color-background);\n    color: var(--pst-color-text-muted);\n  }\n\n  .icon {\n    position: absolute;\n    color: var(--pst-color-border);\n    left: 25px;\n  }\n\n  .fa-solid.fa-magnifying-glass {\n    position: absolute;\n    left: calc((2.5rem - 0.7em) / 2);\n    color: var(--pst-color-text-muted);\n  }\n\n  input {\n    // Inner-text of the search bar\n    &::placeholder {\n      color: var(--pst-color-text-muted);\n    }\n\n    // Remove the little \"x\" that pops up when you start typing\n    &::-webkit-search-cancel-button,\n    &::-webkit-search-decoration {\n      appearance: none;\n    }\n  }\n\n  // Shows off the keyboard shortcuts for the button\n  .search-button__kbd-shortcut {\n    display: flex;\n    position: absolute;\n    right: 0.5rem;\n    color: var(--pst-color-border);\n  }\n}\n\n.form-control {\n  background-color: var(--pst-color-background);\n  color: var(--pst-color-text-base);\n\n  &:focus,\n  &:focus-visible {\n    border: none;\n    background-color: var(--pst-color-background);\n    color: var(--pst-color-text-muted);\n  }\n}\n\n/**\n * Search button - located in the navbar\n */\n\n// Search link icon should be a bit bigger since it is separate from icon links\n.search-button i {\n  font-size: 1.3rem;\n}\n\n// __search-container will only show up when we use the search pop-up bar\n.search-button__search-container,\n.search-button__overlay {\n  display: none;\n}\n\n.search-button__wrapper.show {\n  .search-button__search-container {\n    display: flex;\n\n    // Center in middle of screen just underneath header\n    position: fixed;\n    z-index: $zindex-modal;\n    top: 30%;\n    left: 50%;\n    transform: translate(-50%, -50%);\n    right: 1rem;\n    margin-top: 0.5rem;\n    width: 90%;\n    max-width: 800px;\n  }\n\n  .search-button__overlay {\n    display: flex;\n    position: fixed;\n    z-index: $zindex-modal-backdrop;\n    background-color: black;\n    opacity: 0.5;\n    width: 100%;\n    height: 100%;\n    top: 0;\n    left: 0;\n  }\n\n  form.bd-search {\n    flex-grow: 1;\n    padding-top: 0;\n    padding-bottom: 0;\n  }\n\n  // Font and input text a bit bigger\n  svg,\n  input {\n    font-size: var(--pst-font-size-icon);\n  }\n}\n\n/**\n * The search button component that looks like a field.\n * Lives at components/search-button-field.html\n */\n.search-button-field {\n  $search-button-border-radius: 1.5em;\n\n  display: inline-flex;\n  align-items: center;\n  border: var(--pst-color-border) solid 1px;\n  border-radius: $search-button-border-radius;\n  color: var(--pst-color-text-muted);\n  padding: 0.5em;\n  background-color: var(--pst-color-surface);\n\n  &:hover {\n    box-shadow: 0 0 0 $focus-ring-width var(--pst-color-link-hover);\n  }\n\n  &:focus-visible {\n    border-radius: $search-button-border-radius;\n  }\n\n  // The keyboard shotcut text\n  .search-button__default-text {\n    font-size: var(--bs-nav-link-font-size);\n    font-weight: var(--bs-nav-link-font-weight);\n    margin-right: 0.5em;\n    margin-left: 0.5em;\n  }\n\n  .kbd-shortcut__modifier {\n    font-size: 0.75em;\n  }\n\n  // Ensures that all the text lines up in the middle\n  > * {\n    align-items: center;\n  }\n\n  // Only the icon should be visible on narrow screens\n  > :not(svg) {\n    display: none;\n\n    @include media-breakpoint-up(lg) {\n      display: flex;\n    }\n  }\n}\n","/**\n * The 'Hide Search Matches' button.\n * This only shows up when a person lands on a page after clicking a search result.\n * Clicking it removes the highlighting of the search term from the page.\n * We want it to behave like a button.\n */\ndiv#searchbox {\n  // Leave `#searchbox` rules empty so that it doesn't show at all when it is empty\n  p.highlight-link {\n    margin: 1rem 0;\n    width: fit-content;\n\n    // A bit more margin on wide screens to mimic article behavior\n    @include media-breakpoint-up($breakpoint-sidebar-secondary) {\n      margin-left: 2rem;\n    }\n\n    // Put outer shadow on this one so that we can darken the link w/ an inner shadow\n    @include box-shadow;\n\n    // Style the button to look like a Sphinx Design button\n    a {\n      border-radius: 0.25rem;\n      font-size: 1.25rem;\n      padding: 0.75rem;\n      background-color: var(--pst-color-primary);\n      color: var(--pst-color-primary-text);\n      text-decoration: none;\n\n      // The box shadow is inset so that it darkens the button on hover\n      transition: box-shadow 0.25s ease-out;\n\n      &:hover {\n        box-shadow: inset 0 0 50px 50px rgb(0 0 0 / 25%);\n      }\n\n      &::before {\n        content: var(--pst-icon-search-minus);\n        color: unset;\n        font: var(--fa-font-solid);\n        margin-right: 0.5rem;\n      }\n    }\n  }\n}\n","/**\n * Light/dark theme switcher\n */\n\n.theme-switch-button {\n  .theme-switch {\n    display: none;\n\n    &:active {\n      text-decoration: none;\n      color: var(--pst-color-link-hover);\n    }\n\n    .fa-lg {\n      aspect-ratio: 1 / 1;\n    }\n  }\n}\n\n@each $mode in auto, light, dark {\n  html[data-mode=\"#{$mode}\"]\n    .theme-switch-button\n    .theme-switch[data-mode=\"#{$mode}\"] {\n    display: inline; // inline needed for span height to be calculated using inherited font size and line height\n  }\n}\n","button.btn.version-switcher__button {\n  border-color: var(--pst-color-border);\n  color: var(--pst-color-text-base);\n\n  // Add a margin on narrow screens to avoid feeling cramped\n  margin-bottom: 1em;\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    margin-bottom: unset;\n  }\n\n  &:hover {\n    box-shadow: 0 0 0 $focus-ring-width var(--pst-color-secondary);\n    border-color: transparent;\n  }\n\n  &:active {\n    color: var(--pst-color-text-base);\n    border-color: var(--pst-color-border);\n  }\n\n  &:focus-visible {\n    border-color: transparent;\n  }\n}\n\n.version-switcher__menu {\n  border-color: var(--pst-color-border);\n  border-radius: var(--bs-dropdown-border-radius);\n\n  a.list-group-item {\n    background-color: var(--pst-color-on-background);\n    color: var(--pst-color-text-base);\n    padding: 0.75rem 1.25rem;\n\n    &:not(:last-child) {\n      border-bottom: 1px solid var(--pst-color-border);\n    }\n\n    &:hover {\n      @include link-style-hover;\n\n      background-color: var(--pst-color-surface);\n    }\n\n    &.active {\n      @include link-sidebar-current;\n\n      position: relative;\n      z-index: 1;\n\n      span::before {\n        content: \"\";\n        width: 100%;\n        height: 100%;\n        position: absolute;\n        z-index: -1;\n        left: 0;\n        top: 0;\n      }\n    }\n\n    &:focus-visible {\n      z-index: 10; // keep focus ring on top (prevent the hover background of the next dropdown item from covering the ring)\n    }\n  }\n}\n\n// Font behavior on mobile\nbutton.version-switcher__button,\n.version-switcher__menu {\n  font-size: 1.1em; // A bit smaller than other menu font\n  z-index: $zindex-modal; // higher than the sidebars\n\n  // Make sure it meets WCAG target size requirement no matter the version\n  // string displayed in the button\n  @include min-hit-area;\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    font-size: unset;\n  }\n}\n","/* Collapsing of the TOC sidebar while scrolling */\n\n/* Nav: hide second level (shown on .active) */\n\nnav.page-toc {\n  // A little extra space before the buttons\n  margin-bottom: 1rem;\n}\n\n.bd-toc .nav {\n  .nav {\n    display: none;\n\n    // So we can manually specify a level as visible in the config\n    &.visible {\n      display: block;\n    }\n  }\n\n  > .active > ul {\n    display: block;\n  }\n}\n\n// Each entry of the in-page TOC\n.toc-entry {\n  display: block;\n\n  a > code {\n    color: var(--pst-color-text-muted);\n  }\n\n  a.nav-link {\n    display: block;\n    padding: 0.125rem 0;\n\n    // Padding w/ negative margin so the top TOC item highlight overlaps w/ the TOC border\n    padding-left: 1rem;\n    margin-left: -1rem;\n\n    @include link-sidebar;\n\n    &.active {\n      @include link-sidebar-current;\n\n      background-color: transparent;\n\n      &:hover {\n        color: var(--pst-color-link-hover);\n      }\n    }\n\n    &:focus-visible {\n      border-radius: $focus-ring-radius;\n    }\n  }\n}\n","div.versionadded,\ndiv.versionchanged,\ndiv.deprecated {\n  vertical-align: middle;\n  margin: 1.5625em auto;\n  padding: 0 0.6rem;\n  overflow: hidden;\n\n  /* break-inside has replaced page-break-inside and is widely usable since 2019 */\n  page-break-inside: avoid;\n  break-inside: avoid;\n  border-left: 0.2rem solid;\n  border-color: var(--pst-color-info);\n  border-radius: $admonition-border-radius;\n  background-color: var(--pst-color-on-background);\n\n  @include box-shadow;\n\n  position: relative;\n\n  > p {\n    margin-bottom: 0.6rem;\n    margin-top: 0.6rem;\n  }\n}\n\ndiv.versionadded {\n  border-color: var(--pst-color-success);\n  background-color: var(--pst-color-success-bg);\n}\n\ndiv.versionchanged {\n  border-color: var(--pst-color-warning);\n  background-color: var(--pst-color-warning-bg);\n}\n\ndiv.deprecated {\n  border-color: var(--pst-color-danger);\n  background-color: var(--pst-color-danger-bg);\n}\n\nspan.versionmodified {\n  font-weight: 600;\n\n  &::before {\n    margin-right: 0.6rem;\n    color: var(--pst-color-info);\n    font: var(--fa-font-solid);\n    content: var(--pst-icon-versionmodified-default);\n  }\n}\n\nspan.versionmodified.added {\n  &::before {\n    color: var(--pst-color-success);\n    content: var(--pst-icon-versionmodified-added);\n  }\n}\n\nspan.versionmodified.changed {\n  &::before {\n    color: var(--pst-color-warning);\n    content: var(--pst-icon-versionmodified-changed);\n  }\n}\n\nspan.versionmodified.deprecated {\n  &::before {\n    color: var(--pst-color-danger);\n    content: var(--pst-icon-versionmodified-deprecated);\n  }\n}\n",".sidebar-indices-items {\n  display: flex;\n  flex-direction: column;\n  border-top: 1px solid var(--pst-color-border);\n\n  @include media-breakpoint-up($breakpoint-sidebar-primary) {\n    border-top: none;\n  }\n\n  .sidebar-indices-items__title {\n    font-weight: var(--pst-sidebar-header-font-weight);\n    font-size: var(--pst-sidebar-header-font-size);\n    color: var(--pst-color-text-base);\n    margin-bottom: 0.5rem;\n  }\n\n  ul.indices-link {\n    margin-right: -1rem;\n    list-style: none;\n    padding: 0;\n\n    li > a {\n      display: block;\n      padding: 0.25rem 0;\n      color: var(--pst-color-text-muted);\n\n      &:hover {\n        color: var(--pst-color-primary);\n        text-decoration: none;\n        background-color: transparent;\n      }\n    }\n  }\n}\n",".bd-sidebar-primary div#rtd-footer-container {\n  position: sticky;\n  bottom: -1rem;\n  margin: -1rem; // ignore sidebar padding\n\n  .rst-versions.rst-badge {\n    position: unset;\n    font-size: 0.9em;\n    font-family: var(--pst-font-family-base);\n    max-width: unset;\n\n    .rst-current-version {\n      display: flex;\n      align-items: center;\n      gap: 0.2rem;\n      height: 2.5rem;\n      transition: background-color 0.2s ease-out;\n      background-color: var(--pst-color-background);\n      color: var(--pst-color-success);\n      border-top: 1px solid var(--pst-color-border);\n    }\n\n    .fa.fa-book {\n      color: var(--pst-color-text-muted);\n      margin-right: auto;\n\n      &::after {\n        color: var(--pst-color-text-base);\n        content: \"Read The Docs\";\n        font-family: var(--pst-font-family-base);\n        font-weight: var(--pst-admonition-font-weight-heading);\n      }\n    }\n\n    .fa.fa-caret-down {\n      color: var(--pst-color-text-muted);\n    }\n  }\n\n  .rst-versions.rst-badge.shift-up {\n    .rst-current-version {\n      border-bottom: 1px solid var(--pst-color-border);\n    }\n  }\n\n  .rst-other-versions {\n    background-color: var(--pst-color-surface);\n    color: var(--pst-color-text-base);\n\n    dl {\n      dd a {\n        color: var(--pst-color-text-muted);\n      }\n    }\n\n    hr {\n      background-color: var(--pst-color-border);\n    }\n\n    small a {\n      color: var(--pst-color-link);\n    }\n\n    input {\n      padding-left: 0.5rem;\n      border: 1px solid var(--pst-color-border);\n      background-color: var(--pst-color-surface);\n    }\n  }\n}\n","/**\n * Admonitions and blocks of styled content.\n * Admonitions CSS originally inspired by https://squidfunk.github.io/mkdocs-material/getting-started/\n */\n$admonition-border-radius: 0.25rem;\n$admonition-left-border-width: 0.2rem;\n\ndiv.admonition,\n.admonition {\n  margin: 1.5625em auto;\n  padding: 0 0.6rem 0.8rem;\n  overflow: hidden;\n\n  /* break-inside has replaced page-break-inside and is widely usable since 2019 */\n  page-break-inside: avoid;\n  break-inside: avoid;\n  border-left: $admonition-left-border-width solid;\n  border-color: var(--pst-color-info);\n  border-radius: $admonition-border-radius;\n  background-color: var(--pst-color-on-background);\n\n  @include box-shadow;\n\n  // Last item should have no spacing since we'll control that w/ padding\n  *:last-child {\n    margin-bottom: 0;\n  }\n\n  // Items after the title should be indented\n  p.admonition-title ~ * {\n    margin-left: 1.4rem;\n    margin-right: 1.4rem;\n  }\n\n  // Lists need to have left margin so they don't spill into it\n  > ol,\n  > ul {\n    margin-left: 1em;\n  }\n\n  // Defaults for all admonitions\n  > .admonition-title {\n    margin: 0 -0.6rem;\n    padding: 0.4rem 0.6rem 0.4rem 2rem;\n    font-weight: var(--pst-admonition-font-weight-heading);\n    position: relative;\n\n    @include legacy-backdrop-placeholder;\n\n    background-color: var(--pst-color-info-bg);\n\n    // now that we use solid colors we want the title on top\n    z-index: 1;\n\n    &::after {\n      position: absolute;\n      left: 0.5rem;\n      width: 1rem;\n      height: 1rem;\n      color: var(--pst-color-info);\n      font: var(--fa-font-solid);\n      line-height: inherit;\n      content: var(--pst-icon-admonition-default);\n      opacity: 1;\n    }\n\n    // Next element after title needs some extra upper-space\n    + * {\n      margin-top: 0.4em;\n    }\n  }\n\n  &.attention {\n    border-color: var(--pst-color-attention);\n\n    > .admonition-title {\n      background-color: var(--pst-color-attention-bg);\n\n      &::after {\n        color: var(--pst-color-attention);\n        content: var(--pst-icon-admonition-attention);\n      }\n    }\n  }\n\n  &.caution {\n    border-color: var(--pst-color-warning);\n\n    > .admonition-title {\n      background-color: var(--pst-color-warning-bg);\n\n      &::after {\n        color: var(--pst-color-warning);\n        content: var(--pst-icon-admonition-caution);\n      }\n    }\n  }\n\n  &.warning {\n    border-color: var(--pst-color-warning);\n\n    > .admonition-title {\n      background-color: var(--pst-color-warning-bg);\n\n      &::after {\n        color: var(--pst-color-warning);\n        content: var(--pst-icon-admonition-warning);\n      }\n    }\n  }\n\n  &.danger {\n    border-color: var(--pst-color-danger);\n\n    > .admonition-title {\n      background-color: var(--pst-color-danger-bg);\n\n      &::after {\n        color: var(--pst-color-danger);\n        content: var(--pst-icon-admonition-danger);\n      }\n    }\n  }\n\n  &.error {\n    border-color: var(--pst-color-danger);\n\n    > .admonition-title {\n      background-color: var(--pst-color-danger-bg);\n\n      &::after {\n        color: var(--pst-color-danger);\n        content: var(--pst-icon-admonition-error);\n      }\n    }\n  }\n\n  &.hint {\n    border-color: var(--pst-color-success);\n\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &::after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-hint);\n      }\n    }\n  }\n\n  &.tip {\n    border-color: var(--pst-color-success);\n\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &::after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-tip);\n      }\n    }\n  }\n\n  &.important {\n    border-color: var(--pst-color-attention);\n\n    > .admonition-title {\n      background-color: var(--pst-color-attention-bg);\n\n      &::after {\n        color: var(--pst-color-attention);\n        content: var(--pst-icon-admonition-important);\n      }\n    }\n  }\n\n  &.note {\n    border-color: var(--pst-color-info);\n\n    > .admonition-title {\n      background-color: var(--pst-color-info-bg);\n\n      &::after {\n        color: var(--pst-color-info);\n        content: var(--pst-icon-admonition-note);\n      }\n    }\n  }\n\n  &.seealso {\n    border-color: var(--pst-color-success);\n\n    > .admonition-title {\n      background-color: var(--pst-color-success-bg);\n\n      &::after {\n        color: var(--pst-color-success);\n        content: var(--pst-icon-admonition-seealso);\n      }\n    }\n  }\n\n  &.admonition-todo {\n    border-color: var(--pst-color-secondary);\n\n    > .admonition-title {\n      background-color: var(--pst-color-secondary-bg);\n\n      &::after {\n        color: var(--pst-color-secondary);\n        content: var(--pst-icon-admonition-todo);\n      }\n    }\n  }\n\n  /**\n   * Special-case for a `sidebar` class that makes the admonition float to\n   * the right like the {sidebar} directive.\n   */\n  &.sidebar {\n    max-width: 40%;\n    float: right;\n    clear: both;\n    margin-left: 0.5rem;\n    margin-top: 0;\n\n    // Undo the .sidebar directive border\n    border-width: 0 0 0 $admonition-left-border-width;\n\n    // TODO: these semantic-color-names border-color rules might no longer be\n    //       needed when we drop support for Sphinx 4 / docutils 0.17\n    &.attention,\n    &.important {\n      border-color: var(--pst-color-attention);\n    }\n\n    &.caution,\n    &.warning {\n      border-color: var(--pst-color-warning);\n    }\n\n    &.danger,\n    &.error {\n      border-color: var(--pst-color-danger);\n    }\n\n    &.hint,\n    &.tip,\n    &.seealso {\n      border-color: var(--pst-color-success);\n    }\n\n    &.note,\n    &.todo {\n      border-color: var(--pst-color-info);\n    }\n\n    // No inner margin since we have less horizontal space w/ the sidebar\n    p.admonition-title ~ * {\n      margin-left: 0;\n      margin-right: 0;\n    }\n  }\n}\n\n/**************************************************************\n * Similar content blocks that are not technically admonitions.\n */\n\n/**\n * Topics and the {contents} directive\n */\n// Docutils <= 0.17\ndiv.topic,\ndiv.topic.contents,\n// Docutils >= 0.18\nnav.contents,\naside.topic {\n  display: flex;\n  flex-direction: column;\n  background-color: var(--pst-color-surface);\n  border-color: var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n  padding: 1rem 1.25rem;\n\n  @include box-shadow;\n\n  .topic-title {\n    margin: 0 0 0.5rem;\n  }\n\n  // Over-ride text color to ensure enough contrast\n  p {\n    color: var(--pst-color-on-surface) !important;\n  }\n\n  // Over-ride large default padding\n  ul.simple {\n    padding-left: 1rem;\n\n    ul {\n      // So that sub-lists will have a bit less padding\n      padding-left: 2em;\n    }\n  }\n}\n\n/**\n * Sidebar directive\n */\naside.sidebar {\n  border: 1px solid var(--pst-color-border);\n  background-color: var(--pst-color-surface);\n  border-radius: $admonition-border-radius;\n\n  // to match the admonition-styled sidebars:\n  margin-left: 0.5rem;\n  padding: 0;\n\n  > *:last-child {\n    padding-bottom: 1rem;\n  }\n\n  p.sidebar-title {\n    position: relative;\n    margin-bottom: 0;\n    padding-top: 0.5rem;\n    padding-bottom: 0.5rem;\n    border-bottom: 1px solid var(--pst-color-border);\n    font-family: var(--pst-font-family-heading);\n    font-weight: var(--pst-admonition-font-weight-heading);\n  }\n\n  // Add margin to the first non-`.sidebar-title` item\n  > *:not(.sidebar-title):first-child,\n  > p.sidebar-title + * {\n    margin-top: 1rem;\n  }\n\n  > * {\n    padding-left: 1rem;\n    padding-right: 1rem;\n  }\n}\n\n/**\n * Rubrics look kind of like section headers\n */\np.rubric {\n  display: flex;\n  flex-direction: column;\n}\n\n/**\n * Seealso is kind of like a vertically-collapsed admonition\n */\n.seealso dd {\n  margin-top: 0;\n  margin-bottom: 0;\n}\n","/**\n * Miscellaneous color functions and mixins\n**/\n\n@use \"sass:list\";\n@use \"sass:map\";\n@use \"sass:meta\";\n@use \"sass:math\";\n@use \"sass:string\";\n\n// We must add ::before pseudo-element to some theme components (such as admonitions)\n// because users were instructed to customize the background color this way.\n@mixin legacy-backdrop-placeholder {\n  &::before {\n    content: \"\";\n    width: 100%;\n    height: 100%;\n    position: absolute;\n    left: 0;\n    top: 0;\n    z-index: -1;\n\n    // So that hovering over the text within background is still possible.\n    // Otherwise the background overlays the text and you cannot click or select easily.\n    // ref: https://developer.mozilla.org/en-US/docs/Web/CSS/pointer-events\n    pointer-events: none;\n  }\n}\n\n/**\n* Function to get items from nested maps\n*/\n// @param {Map} $map - Map\n// @param {Arglist} $keys - Keys to fetc\n// @return {*}\n@function map-deep-get($map, $keys...) {\n  @each $key in $keys {\n    $map: map.get($map, $key);\n  }\n\n  @return $map;\n}\n\n/**\n  * Function to check if the color needs converting to a \"color\" type\n  * if it is a string we cannot use other color manipulation functions\n  * It is used to create the sphinx-design colours as these are often interpolated\n  */\n// @param {String/Color} $color - Color definition from map\n// @return {Color} - Color type (in hex)\n@function check-color($color) {\n  @if meta.type-of($color) == string {\n    $color: from-hex($color);\n  }\n\n  @return $color;\n}\n\n/**\n  * Function to convert the string representation of a color to a color type (hex)\n  */\n// @param {String} $string - String representation of a color\n@function from-hex($string) {\n  $string-lower: string.to-lower-case($string);\n  $r: \"\";\n  $g: \"\";\n  $b: \"\";\n  $hex: \"0\" \"1\" \"2\" \"3\" \"4\" \"5\" \"6\" \"7\" \"8\" \"9\" \"a\" \"b\" \"c\" \"d\" \"e\" \"f\";\n  $length: string.length($string);\n  $max: if($length == 4, 1, 2);\n\n  // Check for length accuracy\n  @if $length != 4 and $length != 7 {\n    @return $string;\n  }\n\n  // Loop from the second character (omitting #)\n  @for $i from 2 through $length {\n    $c: string.slice($string-lower, $i, $i);\n\n    // If wrong character, return\n    @if not list.index($hex, $c) {\n      @return $string;\n    }\n\n    @if string.length($r) < $max {\n      $r: $r + $c;\n    } @else if string.length($g) < $max {\n      $g: $g + $c;\n    } @else if string.length($b) < $max {\n      $b: $b + $c;\n    }\n  }\n\n  @if $length == 4 {\n    $r: $r + $r;\n    $g: $g + $g;\n    $b: $b + $b;\n  }\n\n  @return rgb(hex-to-dec($r), hex-to-dec($g), hex-to-dec($b));\n}\n\n@function hex-to-dec($string) {\n  $hex: \"0\" \"1\" \"2\" \"3\" \"4\" \"5\" \"6\" \"7\" \"8\" \"9\" \"a\" \"b\" \"c\" \"d\" \"e\" \"f\";\n  $string: string.to-lower-case($string);\n  $length: string.length($string);\n  $dec: 0;\n\n  @for $i from 1 through $length {\n    $factor: 1 + (15 * ($length - $i));\n    $index: list.index($hex, string.slice($string, $i, $i));\n    $dec: $dec + $factor * ($index - 1);\n  }\n\n  @return $dec;\n}\n","// Style API docs from sphinx' autodoc / autosummary\n\n/*******************************************************************************\n* Styling for field lists\n*/\n\n/* grey highlighting of 'parameter' and 'returns' field */\ntable.field-list {\n  border-collapse: separate;\n  border-spacing: 10px;\n  margin-left: 1px;\n\n  th.field-name {\n    padding: 1px 8px 1px 5px;\n    white-space: nowrap;\n    background-color: var(--pst-color-surface);\n  }\n\n  /* italic font for parameter types */\n  td.field-body {\n    p {\n      font-style: italic;\n\n      > strong {\n        font-style: normal;\n      }\n    }\n\n    /* reduced space around parameter description */\n    blockquote {\n      border-left: none;\n      margin: 0 0 0.3em;\n      padding-left: 30px;\n    }\n  }\n}\n\n/*******************************************************************************\n* Styling for autosummary tables\n*/\n\n.table.autosummary {\n  // The first column (with the signature) should not wrap\n  td:first-child {\n    white-space: nowrap;\n  }\n}\n\n/* overriding basic.css to use our own monospace font */\n.sig {\n  font-family: var(--pst-font-family-monospace);\n}\n\n/* C++ specific styling - overriding the basic.css to avoid custom colors */\n\n.sig-inline.c-texpr,\n.sig-inline.cpp-texpr {\n  font-family: unset;\n}\n\n.sig.c .k,\n.sig.c .kt,\n.sig.cpp .k,\n.sig.cpp .kt {\n  color: var(--pst-color-text-base);\n}\n\n.sig.c .m,\n.sig.cpp .m {\n  color: var(--pst-color-text-base);\n}\n\n.sig.c .s,\n.sig.c .sc,\n.sig.cpp .s,\n.sig.cpp .sc {\n  color: var(--pst-color-text-base);\n}\n\n// addition\n\n// .sig.c .sig-name .n,\n// .sig.cpp .sig-name .n {\n//   color: var(--pst-color-inline-code);\n// }\n\n.sig-name {\n  color: var(--pst-color-inline-code);\n}\n\n.sig-param .o,\n.sig-param .default_value {\n  color: var(--pst-color-text-muted);\n  font-weight: normal;\n}\n\n// change target color for dark theme\ndt:target,\nspan.highlighted {\n  background-color: var(--pst-color-target);\n}\n\n.viewcode-back {\n  font-family: var(--pst-font-family-base);\n}\n\n.viewcode-block:target {\n  border-top: 1px solid var(--pst-color-border);\n  border-bottom: 1px solid var(--pst-color-border);\n  position: relative;\n  background-color: var(--pst-color-target);\n}\n\ndl > dt > a:has(.viewcode-link) {\n  // Sphinx applies a `float:right` rule to the .viewcode-line span, which\n  // exposes a browser glitch in the focus ring. It seems the browser creates\n  // two separate boxes, an empty box where the anchor element gets laid out and\n  // then another box around the anchor's contents that have been floated right.\n  // Firefox draws the focus ring around the empty anchor element box. Chrome\n  // draws two focus rings: one around the empty anchor and one around the\n  // floated-right element. To fix the glitch, we apply the float rule on the\n  // parent rather than the child.\n  float: right;\n\n  .viewcode-link {\n    float: none;\n  }\n}\n\n/*******************************************************************************\n* Styling for autosummary titles like \"parameters\" and \"returns\"\n*/\n\n// the API selector\n// from https://github.com/pradyunsg/furo/blob/main/src/furo/assets/styles/content/_api.sass#L6)\ndl[class]:not(.option-list, .field-list, .footnote, .glossary, .simple) {\n  // increase margin bottom after the dl elements\n  margin-bottom: 3rem;\n\n  dd {\n    margin-left: 2rem;\n\n    // Fix until this will be solved to Sphinx https://github.com/sphinx-doc/sphinx/issues/10815\n    & > dl.simple > dt {\n      display: flex;\n    }\n  }\n\n  dl.field-list {\n    display: grid;\n    grid-template-columns: unset;\n  }\n\n  dt.field-odd,\n  dt.field-even {\n    margin-top: 0.2rem;\n    margin-bottom: 0.1rem;\n    background-color: var(--pst-color-surface);\n  }\n}\n","/**\n * Code block styling\n * Note that we inherit a lot of styling from Bootstrap so not many rules here.\n */\n\n// General code block behavior\n// Unset bootstrap behavior\ndiv[class*=\"highlight-\"],\ndiv.highlight,\ndiv.literal-block-wrapper {\n  display: flex;\n  flex-direction: column;\n  width: unset;\n  border-radius: $admonition-border-radius;\n  break-inside: avoid;\n}\n\n// Code blocks with captions\n// There's a wrapper when the code block has a title\ndiv.literal-block-wrapper {\n  border: 1px solid var(--pst-color-border);\n  border-radius: $admonition-border-radius;\n\n  // This is where the title goes\n  div.code-block-caption {\n    margin: 0;\n    border-bottom: 1px solid var(--pst-color-border);\n    padding: 0.5rem;\n    font-size: 1rem;\n    font-weight: var(--pst-font-weight-caption);\n\n    a.headerlink {\n      font-size: inherit;\n    }\n  }\n\n  // Remove the upper border radius since we want it to connect with the title\n  // Remove the box shadow so the wrapper gets the shadow instead\n  div[class*=\"highlight-\"] {\n    margin: 0;\n    border-radius: 0;\n\n    pre {\n      border: none;\n      box-shadow: none;\n    }\n  }\n}\n\n/**\n * In-line code\n */\ncode.literal {\n  padding: 0.1rem 0.25rem;\n  background-color: var(--pst-color-surface);\n  border: 1px solid var(--pst-color-border);\n  border-radius: 0.25rem;\n}\n\na > code {\n  color: var(--pst-color-inline-code-links);\n}\n\n// Fix for Sphinx's \"highlight\" directive - this is an issue with our accessible pygments theme\n// and the colour we are using for the background of the code blocks.\nhtml[data-theme=\"light\"] .highlight .nf {\n  color: #0078a1 !important;\n}\n\n// Minimum opacity needed for linenos to be WCAG AA conformant\nspan.linenos {\n  opacity: 0.8 !important;\n}\n","figure > a,\nfigure > a > img,\nfigure > img,\nfigure > video {\n  display: block;\n  margin-left: auto;\n  margin-right: auto;\n}\n\nfigure {\n  a.headerlink {\n    // So that header link doesn't push caption to be off-center.\n    position: absolute;\n    font-size: inherit;\n  }\n\n  // Default headerlink hover doesn't trigger on figures\n  &:hover a.headerlink {\n    visibility: visible;\n  }\n\n  figcaption {\n    font-family: var(--pst-font-family-heading);\n    font-weight: var(--pst-font-weight-caption);\n    color: var(--pst-color-text-muted);\n    margin-left: auto;\n    margin-right: auto;\n    margin-top: 0.3rem;\n    text-align: center;\n\n    & > p:last-child {\n      // Don't add extra margin to already existing figure bottom margin\n      margin-bottom: 0;\n    }\n\n    p {\n      text-align: start;\n      display: inline-block;\n    }\n\n    table.table {\n      width: fit-content;\n      margin-left: auto;\n      margin-right: auto;\n    }\n  }\n}\n","// For consistency, add bracket around footnotes/citations which are\n// cited more than once. E.g. [Newton](1,2) instead of Newton(1,2)\ndt.label > span.brackets:not(:only-child)::before {\n  content: \"[\";\n}\n\ndt.label > span.brackets:not(:only-child)::after {\n  content: \"]\";\n}\n\n// Make footnote as a superscript\na.footnote-reference {\n  vertical-align: super;\n  font-size: small;\n}\n\n// Docutils 0.18 uses an `aside.footnote` container with different internal structure\naside.footnote {\n  margin-bottom: 0.5rem;\n\n  &:last-child {\n    margin-bottom: 1rem;\n  }\n\n  span.label,\n  span.backrefs {\n    font-weight: bold;\n  }\n\n  &:target {\n    background-color: var(--pst-color-target);\n  }\n}\n","/**\n * Hacky fixes that don't fit cleanly into other sections\n */\n\n// Ensure user highlighting/selecting behaves properly\n// From https://stackoverflow.com/a/34372191\ntable.highlighttable td.linenos,\nspan.linenos,\ndiv.doctest > div.highlight span.gp {\n  /* gp: Generic.Prompt */\n  user-select: none;\n}\n","// Override bootstrap by restoring the basic theme default.\ndd {\n  margin-top: 3px;\n  margin-bottom: 10px;\n  margin-left: 30px;\n}\n\nol,\nul {\n  padding-inline-start: 2rem;\n\n  li > p:first-child {\n    margin-bottom: 0.25rem;\n    margin-top: 0.25rem;\n  }\n}\n","// GitHub blockquote style\nblockquote {\n  padding: 1em;\n  color: var(--pst-color-text-muted);\n  border-left: 0.25em solid var(--pst-color-blockquote-notch);\n  border-radius: $admonition-border-radius;\n  position: relative;\n\n  p {\n    color: var(--pst-color-text-base);\n  }\n\n  // remove padding from included line-block to avoid duplication\n  .line-block {\n    margin: 0;\n  }\n\n  // remove margin bottom for the last p\n  p:last-child {\n    margin-bottom: 0;\n  }\n\n  @include legacy-backdrop-placeholder;\n\n  background-color: var(--pst-color-surface);\n\n  // Ensure there is enough contrast against the background\n  a {\n    color: var(--pst-color-inline-code-links);\n  }\n\n  // hack to make the text in the blockquote selectable\n  &::before {\n    z-index: -1;\n  }\n}\n","/**\n * Span-level styling within content\n */\n\nspan.guilabel {\n  border: 1px solid var(--pst-color-info);\n  font-size: 80%;\n  font-weight: 700;\n  border-radius: 4px;\n  padding: 2.4px 6px;\n  margin: auto 2px;\n  position: relative;\n\n  @include legacy-backdrop-placeholder;\n\n  background-color: var(--pst-color-info-bg);\n}\n\na.reference.download::before {\n  content: var(--pst-icon-download);\n  font: var(--fa-font-solid);\n  font-size: 0.8em;\n  padding: 0 0.25em;\n  color: var(--pst-color-text-muted);\n}\n","/**\n * Tables\n */\n\ntable {\n  // default to table-center\n  margin-left: auto;\n  margin-right: auto;\n\n  &.table-right {\n    margin-right: 0;\n  }\n\n  &.table-left {\n    margin-left: 0;\n  }\n}\n\n// customize table caption from bootstrap\n// to display them on top and centered\ntable caption {\n  text-align: center;\n  caption-side: top;\n  color: var(--pst-color-text-muted);\n}\n\n// MyST Markdown tables use these classes to control alignment\nth,\ntd {\n  &.text-left {\n    text-align: left;\n  }\n\n  &.text-right {\n    text-align: right;\n  }\n\n  &.text-center {\n    text-align: center;\n  }\n}\n\n// override bootstrap table colors\n.table {\n  @include table-colors;\n\n  --bs-table-bg: transparent; // background\n  --bs-table-color: var(\n    --pst-color-text-base\n  ); // ensure text and bullets are visible\n}\n\n.pst-scrollable-table-container {\n  // Put a horizontal scrollbar just below tables that are too wide to fit\n  // within the main column\n  overflow-x: auto;\n}\n","/**\n * Style the toctree component in pages (avoid modifying the navbars)\n */\n.toctree-wrapper {\n  p.caption {\n    font-size: 1.5em;\n    margin-bottom: 0;\n  }\n\n  & > ul {\n    padding-left: 0;\n  }\n\n  li[class^=\"toctree-l\"] {\n    list-style: none;\n    margin-bottom: 0.2em;\n\n    & > a {\n      list-style: none;\n      font-size: 1.1em;\n    }\n\n    & > ul {\n      list-style: none;\n      padding-inline-start: 1.5em;\n    }\n  }\n\n  // slightly bigger font for l1\n  .toctree-l1 > a {\n    font-size: 1.3em;\n  }\n}\n\ndiv.topic.contents,  // Docutils <= 0.17\nnav.contents  // Docutils >= 0.18\n{\n  // Style similarly to toctree\n  ul.simple {\n    list-style: none;\n    padding-left: 0;\n  }\n}\n","/**\n * Mathematics via MathJax.\n *\n * This is designed for MathJax v3\n * ref: https://www.sphinx-doc.org/en/master/usage/extensions/math.html#module-sphinx.ext.mathjax\n */\n\n// Applies to all math elements\nspan.math,\ndiv.math {\n  align-items: center;\n  display: flex;\n  max-width: 100%;\n\n  // This will be over-ridden for the y-direction and divs\n  overflow: hidden;\n}\n\n// Inline-only\nspan.math {\n  display: inline-flex;\n}\n\n// Block-level only\ndiv.math {\n  gap: 0.5em;\n\n  // So that the eqno shows up after the equation\n  flex-direction: row-reverse;\n\n  // The equation number / link\n  span.eqno a.headerlink {\n    position: relative;\n    font-size: 1em;\n  }\n\n  // The math container\n  mjx-container {\n    flex-grow: 1;\n    padding-bottom: 0.2rem;\n    overflow: auto;\n\n    // Set height to 0 so that it does not cause scrollbars to appear\n    // ref: https://github.com/mathjax/MathJax/issues/2521\n    mjx-assistive-mml {\n      height: 0;\n    }\n  }\n}\n","/**\n * ABlog\n * ref: https://ablog.readthedocs.io/\n */\n\n/**\n * Sidebar template components\n */\n.ablog-sidebar-item {\n  h2,\n  h3 {\n    font-size: var(--pst-sidebar-header-font-size);\n\n    // Remove unnecessary vertical whitespace\n    margin-top: 0.5rem;\n\n    // The headers are all links, but this makes them hard to parse\n    // So we change the colors to make them look like headers\n    a {\n      color: var(--pst-color-text-base);\n    }\n  }\n\n  ul {\n    // No bullet points for the primary sidebar items\n    list-style: none;\n    padding-left: 0;\n\n    // Otherwise a scrollbar randomly shows up\n    overflow-y: hidden;\n\n    // List of recent post items\n    display: flex;\n    flex-direction: column;\n    gap: 0.5em;\n    margin-bottom: 0;\n\n    // The ablog cloud should move horizontally\n    &.ablog-cloud {\n      flex-flow: row wrap;\n      gap: 0.5rem;\n\n      // Vertical-align tag clouds\n      li {\n        // Center the tag cloud items\n        display: flex;\n        align-items: center;\n      }\n    }\n  }\n}\n\n/**\n * Previous / next buttons at the bottom\n */\n.ablog__prev-next {\n  font-size: 1.2em;\n  display: flex;\n  padding: 1rem 0;\n\n  // The bottom previous / next arrows\n  > span {\n    // To ensure that the whole thing fits on one line even if there are long titles\n    display: flex;\n    max-width: 45%;\n\n    // Links within each span have the collection of icon + text\n    a {\n      display: flex;\n      align-items: center;\n      margin-left: auto;\n      gap: 1rem;\n      line-height: 1.5rem;\n\n      i::before {\n        color: var(--pst-color-text-base);\n      }\n    }\n  }\n\n  // The first span is for the previous page and aligns to the left\n  span.ablog__prev {\n    i.fa-arrow-circle-left::before {\n      content: var(--pst-icon-angle-left);\n    }\n  }\n\n  // The second span is just an empty space so we remove it because we're\n  // positioning with flex\n  span.ablog__spacer {\n    display: none;\n  }\n\n  // The third span is aligned to the right\n  span.ablog__next {\n    margin-left: auto;\n    text-align: right;\n\n    i.fa-arrow-circle-right::before {\n      content: var(--pst-icon-angle-right);\n    }\n  }\n}\n\n/**\n * {postlist} directive and posts page\n */\n.ablog__collection,\n.postlist {\n  padding-left: 0;\n\n  .ablog-post {\n    list-style: none;\n\n    // Post metadata tags (author, links ,etc) should be a bit smaller\n    .ablog-archive {\n      display: flex;\n      flex-flow: row wrap;\n      gap: 1rem;\n      list-style: none;\n      font-size: 0.75rem;\n      padding-left: 0;\n    }\n\n    // Title line should be a bit bigger and bold to stand out\n    .ablog-post-title {\n      margin-top: 0;\n      font-size: 1.25rem;\n\n      a {\n        font-weight: bold;\n      }\n    }\n\n    // Read more button should be a bit bigger\n    .ablog-post-expand {\n      margin-bottom: 0.5rem;\n    }\n  }\n}\n","/**\n * Special cases for Bootstrap functionality\n */\n\n// Bootstrap adds margin to their general container class. However, sphinx/docutils\n// can also generate output with the container class, but in those cases we should\n// not add the margin from bootstrap. Same for max-width.\n.docutils.container {\n  padding-left: unset;\n  padding-right: unset;\n  margin-left: unset;\n  margin-right: unset;\n  max-width: unset;\n  width: unset;\n}\n\n.btn {\n  --bs-btn-focus-box-shadow: #{$btn-focus-box-shadow};\n}\n","/**\n * Sphinx Copybutton\n * ref: https://sphinx-copybutton.readthedocs.io/\n */\n\ndiv.highlight button.copybtn {\n  // Nicer spacing\n  display: flex;\n  align-items: center;\n  justify-content: center;\n\n  // Don't over-ride the success color\n  &:not(.success) {\n    color: var(--pst-color-muted);\n  }\n\n  border: none;\n  background-color: var(--pst-color-surface);\n\n  &:hover {\n    &:not(.success) {\n      color: var(--pst-color-text);\n      background-color: var(--pst-color-shadow);\n    }\n  }\n\n  // Tooltip styling\n  &.o-tooltip--left::after {\n    color: var(--pst-color-text);\n    background-color: var(--pst-color-surface);\n  }\n\n  &:focus {\n    // For keyboard users, make the copy button visible when focussed.\n    opacity: 1;\n  }\n\n  &:focus-visible {\n    outline: $focus-ring-outline;\n  }\n}\n\ndiv.highlight:has(button.copybtn) {\n  // Make sure the code block has enough height for the copy button.\n  // Sphinx-copybutton sets 0.3em top offset plus 1.7em height:\n  // https://github.com/executablebooks/sphinx-copybutton/blob/master/sphinx_copybutton/_static/copybutton.css\n  min-height: 2em;\n}\n","// adapt ethical ad to the theme\n#ethical-ad-placement {\n  .ethical-sidebar a,\n  .ethical-sidebar a:visited,\n  .ethical-sidebar a:hover,\n  .ethical-sidebar a:active,\n  .ethical-footer a,\n  .ethical-footer a:visited,\n  .ethical-footer a:hover,\n  .ethical-footer a:active {\n    color: var(--pst-color-text-base);\n  }\n\n  .ethical-sidebar,\n  .ethical-footer {\n    background-color: var(--pst-color-background);\n    border: 1px solid var(--pst-color-border);\n    border-radius: 5px;\n    color: var(--pst-color-text-base);\n    font-size: 14px;\n    line-height: 20px;\n  }\n}\n","/**\n * Styles for various Sphinx execution libraries.\n * For now, where these define output sections, we simply revert their background\n * to be a \"light theme\" background. This ensures that inputs/outputs behave similarly,\n * because the CSS is often controlled by each package.\n * In the future, we might add dark theme support for specific packages.\n */\n\n/******************************************************************************\n * Jupyter Sphinx\n */\n\n.bd-content div.jupyter_container {\n  // We don't want borders around the whole container, just around code cells\n  border: none;\n  background-color: unset;\n  box-shadow: none;\n\n  // Code cells should have the same style as our other code objects\n  div.output,\n  div.highlight {\n    border-radius: 0.25rem;\n  }\n\n  div.highlight {\n    background-color: var(--pst-color-surface);\n  }\n\n  // Ensure the style is the same as our code cells. Jupyter Sphinx makes it tiny.\n  .cell_input,\n  .cell_output {\n    border-radius: 0.25rem;\n\n    pre {\n      padding: 1rem;\n    }\n  }\n}\n","/* Styles for graphviz generated output from Sphinx */\n\n/* Style the inheritance diagram such that it has a dark mode */\nhtml[data-theme=\"dark\"] div.graphviz > object.inheritance {\n  filter: brightness(0.8) invert(0.82) contrast(1.2);\n  color-scheme: normal;\n}\n","/**\n * Special-cases for packages in the PyData ecosystem\n */\n\n// xarray output display in bootstrap\n.xr-wrap[hidden] {\n  display: block !important;\n}\n\n// ipywidgets\n.jp-OutputArea-output.lm-Widget {\n  // override overflow:hidden rule from Lumino (.lm-Widget) to allow scrolling\n  overflow: auto;\n}\n","/*******************************************************************************\n * Special-cases for the sphinx-design library, mainly to make it compatible\n * with the dark/light themes of pydata-sphinx-theme.\n *\n * NOTE: sphinx-design uses !important quite liberally, so here we must do the\n * same for our overrides to have any effect.\n */\n@use \"../variables/color\" as pst-color;\n@use \"sass:color\";\n@use \"sass:map\";\n@use \"sass:meta\";\n@use \"sass:string\";\n\n/*******************************************************************************\n  * Color and variables\n  *\n  * This is a list of the semantic color names from sphinx-design (we only\n  * need to override variables that sphinx-design has actually defined).\n  * https://github.com/executablebooks/sphinx-design/blob/9226a12a/style/_colors.scss#L31-L43\n  */\n$sd-semantic-color-names: (\n  \"primary\",\n  \"secondary\",\n  \"success\",\n  \"info\",\n  \"warning\",\n  \"danger\",\n  \"light\",\n  \"muted\",\n  \"dark\",\n  \"black\",\n  \"white\"\n);\n\n/**\n  * Here we create some extra --pst-color-* variables and use\n  * them to override the value of the corresponding sphinx-design variables.\n  * This is easier than re-writing the sphinx-design rules. Even easier would be\n  * directly assigning our values to the --sd-color-* variables, but then our\n  * downstream users couldn't override *our* colors and have it affect buttons\n  * and badges.\n  *\n  * First, define the extra keys needed to cover the full range of semantic\n  * color names used in sphinx-design, then merge them with the names we\n  * already define for our own needs.\n  * see https://sphinx-design.readthedocs.io/en/latest/css_variables.html\n  */\n$extra-semantic-colors: (\n  \"white\": $foundation-white,\n  \"light\": (\n    light: $foundation-light-gray,\n    bg-light: color.scale($foundation-light-gray, $lightness: 30%),\n    dark: $foundation-light-gray,\n    bg-dark: color.scale($foundation-light-gray, $lightness: -30%),\n  ),\n  \"muted\": (\n    light: $foundation-muted-gray,\n    bg-light: color.scale($foundation-muted-gray, $lightness: 30%),\n    dark: $foundation-light-gray,\n    bg-dark: color.scale($foundation-muted-gray, $lightness: -30%),\n  ),\n  \"dark\": $foundation-dark-gray,\n  \"black\": $foundation-black,\n);\n$all-colors: map.merge($pst-semantic-colors, $extra-semantic-colors);\n\n@mixin create-sd-colors($value, $name) {\n  // define the pst variables, so that downstream user overrides will work\n  --pst-color-#{$name}: #{$value};\n\n  // we are now using a11y-combination to calculate the text color - this is based\n  // on the WCAG color contrast guidelines\n  --pst-color-#{$name}-text: #{a11y-combination($value)};\n\n  // TODO: highlight seems to be used for buttons @trallard to fix on a11y follow-up work\n  --pst-color-#{$name}-highlight: #{color.adjust($value, $lightness: -15%)};\n\n  // override the sphinx-design variables\n  --sd-color-#{$name}: var(--pst-color-#{$name});\n  --sd-color-#{$name}-text: var(--pst-color-#{$name}-text);\n\n  // TODO: highlight seems to be used for buttons @trallard to fix on a11y follow-up work\n  --sd-color-#{$name}-highlight: var(--pst-color-#{$name}-highlight);\n}\n\n// Now we override the --sd-color-* variables.\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    // check if this color is defined differently for light/dark\n    @each $name in $sd-semantic-color-names {\n      $definition: map.get($all-colors, $name);\n\n      @if meta.type-of($definition) == map {\n        @each $key, $value in $definition {\n          @if string.index($key, $mode) {\n            // since now we define the bg colours in the semantic colours and not\n            // by changing opacity, we need to check if the key contains bg and the\n            // correct mode (light/dark)\n            @if string.index($key, \"bg\") {\n              --sd-color-#{$name}-bg: #{$value};\n\n              // create local variable\n              $value: check-color($value);\n\n              --sd-color-#{$name}-bg-text: #{a11y-combination($value)};\n            } @else {\n              $value: check-color($value);\n\n              @include create-sd-colors($value, $name);\n            }\n          }\n        }\n      } @else {\n        $value: map.get($all-colors, $name);\n\n        @include create-sd-colors($value, $name);\n      }\n    }\n  }\n}\n\n// Make sure the color border variables are set using our variables\n@each $mode in (light, dark) {\n  html[data-theme=\"#{$mode}\"] {\n    --sd-color-card-border: var(--pst-color-border);\n  }\n}\n\n/*******************************************************************************\n  * shadows\n  */\nhtml[data-theme=\"light\"] {\n  .sd-shadow-xs,\n  .sd-shadow-sm,\n  .sd-shadow-md,\n  .sd-shadow-lg {\n    @include box-shadow;\n  }\n}\n\n/*******************************************************************************\n  * cards\n  */\n\n.bd-content .sd-card {\n  border: 1px solid var(--pst-color-border);\n\n  // TODO - --pst-color-panel-background is not defined... where is this coming from?\n  .sd-card-header {\n    background-color: var(--pst-color-panel-background);\n    border-bottom: 1px solid var(--pst-color-border);\n  }\n\n  .sd-card-footer {\n    background-color: var(--pst-color-panel-background);\n    border-top: 1px solid var(--pst-color-border);\n  }\n\n  .sd-card-body {\n    background-color: var(--pst-color-panel-background);\n  }\n\n  // Focus ring for link-cards\n  .sd-stretched-link:focus-visible {\n    // Don't put the focus ring on the <a> element (it has zero height in Sphinx Design cards)\n    outline: none;\n\n    // Put the focus ring on the <a> element's ::after pseudo-element\n    &::after {\n      outline: $focus-ring-outline;\n      border-radius: 0.25rem; // copied from Sphinx Design CSS for .sd-card\n    }\n  }\n\n  &.sd-card-hover:hover {\n    border-color: var(--pst-color-link-hover);\n  }\n}\n\n/*******************************************************************************\n  * tabs\n  */\n\n.bd-content .sd-tab-set {\n  > input {\n    // Active tab label\n    &:checked + label {\n      border-style: solid solid none;\n      border-color: var(--pst-color-primary) var(--pst-color-primary)\n        transparent; // top LR bottom\n\n      border-width: 0.125rem 0.125rem 0;\n      border-radius: 0.125rem 0.125rem 0 0;\n      background-color: var(--pst-color-on-background);\n      transform: translateY(0.125rem);\n      color: var(--pst-color-primary);\n    }\n\n    &:focus-visible + label {\n      border: 0.125rem solid var(--pst-color-accent);\n      border-radius: 0.125rem;\n      background-color: var(--pst-color-accent-bg);\n      color: var(--pst-color-on-surface);\n    }\n\n    // Hover label\n    &:not(:checked, :focus-visible) + label:hover {\n      border-color: transparent;\n      color: var(--pst-color-secondary);\n      text-decoration-line: underline;\n      text-decoration-thickness: $link-hover-decoration-thickness;\n    }\n  }\n\n  // Tab label\n  > label {\n    color: var(--pst-color-on-surface);\n    border: 0.125rem solid transparent;\n    border-radius: 0.125rem 0.125rem 0 0;\n    background-color: var(--pst-color-surface);\n    padding: 0 0.75em;\n    margin-inline-end: 0.25rem;\n    line-height: 1.95;\n\n    html[data-theme=\"dark\"] & {\n      background-color: var(--pst-color-on-background);\n    }\n  }\n\n  // panel\n  .sd-tab-content {\n    border: 0.125rem solid var(--pst-color-primary);\n    border-radius: 0.1875rem;\n    box-shadow: unset;\n    padding: 0.625rem;\n    background-color: var(--pst-color-on-background);\n  }\n}\n\n/*******************************************************************************\n* Dropdowns\n*/\n\ndetails.sd-dropdown {\n  // Remove all borders to over-ride SD behavior, and we'll add our own later\n  border: 0 !important;\n\n  // Drop shadow should behave same as admonitions\n  @include box-shadow;\n\n  // Header is where the \"clickable\" box goes\n  summary.sd-card-header {\n    border: 0 !important;\n    display: flex;\n    align-items: center;\n    position: relative; // So background color works\n    font-weight: 600;\n    padding-top: 0.5rem;\n    padding-bottom: 0.5rem;\n\n    // Set a variable that we can re-use for colors later\n    // We must set this in the current and content sibling container\n    // so that it is defined in both places\n    --pst-sd-dropdown-color: var(--pst-gray-500);\n    --pst-sd-dropdown-bg-color: var(--pst-color-surface);\n\n    & + div.sd-summary-content {\n      border: 0;\n\n      --pst-sd-dropdown-color: var(--sd-color-card-border);\n    }\n\n    @each $name in $sd-semantic-color-names {\n      &.sd-bg-#{$name} {\n        --pst-sd-dropdown-color: var(--sd-color-#{$name});\n        --pst-sd-dropdown-bg-color: var(--sd-color-#{$name}-bg);\n\n        // Otherwise it won't be defined in the sibling element\n        & + div.sd-summary-content {\n          --pst-sd-dropdown-color: var(--sd-color-#{$name});\n          --pst-sd-dropdown-bg-color: var(--sd-color-#{$name}-bg);\n        }\n      }\n      &.sd-bg-text-#{$name} {\n        // Use the WCAG conformant text color\n        color: var(--sd-color-#{$name}-bg-text) !important;\n      }\n    }\n\n    @include legacy-backdrop-placeholder;\n\n    background-color: var(--pst-sd-dropdown-bg-color) !important;\n\n    // Add a left border with the same structure as our admonitions\n    border-left: 0.2rem solid var(--pst-sd-dropdown-color) !important;\n\n    // stylelint-disable-next-line no-duplicate-selectors\n    & + div.sd-summary-content {\n      border-left: 0.2rem solid var(--pst-sd-dropdown-color) !important;\n      border-bottom-left-radius: calc(0.25rem - 1px);\n      background-color: var(--pst-color-on-background);\n    }\n\n    span.sd-summary-icon {\n      display: inline-flex;\n      align-items: center;\n      color: var(--pst-sd-dropdown-color) !important;\n\n      svg {\n        opacity: 1;\n      }\n    }\n\n    // Positioning of the caret\n    .sd-summary-up,\n    .sd-summary-down {\n      top: 0.7rem;\n    }\n\n    // Focus ring\n    &:focus-visible {\n      outline: $focus-ring-outline;\n      outline-offset: -$focus-ring-width;\n    }\n  }\n}\n\n/*******************************************************************************\n* Buttons (which in Sphinx Design are actually links that look like buttons)\n* ref: https://sphinx-design.readthedocs.io/en/pydata-theme/badges_buttons.html#buttons\n*/\nhtml {\n  .sd-btn {\n    min-width: 2.25rem;\n    padding: 0.3125rem 0.75rem 0.4375rem; // 5px 12px 7px\n\n    &:hover {\n      @include link-style-hover; // override Sphinx Design\n\n      text-decoration-thickness: 1px;\n    }\n  }\n\n  @each $name in $sd-semantic-color-names {\n    .sd-btn-#{$name},\n    .sd-btn-outline-#{$name} {\n      &:focus-visible {\n        // Override Sphinx Design's use of -highlight colors. The -highlight\n        // colors are 15% darker, so this would create the effect of darkening\n        // the button when focused but we just want the button to have a focus\n        // ring of the same (non-highlight) color.\n        background-color: var(--sd-color-#{$name}) !important;\n        border-color: var(--sd-color-#{$name}) !important;\n        outline: var(--sd-color-#{$name}) solid $focus-ring-width;\n        outline-offset: $focus-ring-width;\n      }\n    }\n  }\n}\n","/**\n * Sphinx togglebutton\n */\n\n.bd-content {\n  @mixin chevron-down {\n    .toggle-chevron-right {\n      transform: rotate(90deg); // point chevron down\n      transition: none; // match non-animated behavior of other chevrons on site\n    }\n  }\n\n  @mixin chevron-up {\n    .toggle-chevron-right {\n      transform: rotate(-90deg); // point chevron up\n      transition: none; // match non-animated behavior of other chevrons on site\n    }\n  }\n\n  // Admonition toggles\n  .admonition {\n    button.toggle-button {\n      color: inherit;\n\n      // When disclosure widget is closed\n      &.toggle-button-hidden {\n        @include chevron-down;\n      }\n\n      // When open\n      @include chevron-up;\n    }\n\n    // Focus ring\n    // ----------\n    // Sphinx-togglebutton makes the entire admonition header clickable, but\n    // only the button within the header is focusable. We want the entire\n    // clickable area to be surrounded with a focus ring, so that's why we use\n    // the :focus-within selector, rather than a :focus-visible selector on the\n    // button.\n    &:focus-within {\n      overflow: visible;\n\n      // The complicated focus ring styles here are a consequence of the markup\n      // and border styles for this particular admonition class. (For the other\n      // type of admonition on this site, the focus ring style is achieved with\n      // simple `outline` and `outline-offset` rules on the admonition's\n      // header.) The problem is that Sphinx-togglebutton puts the admonition's\n      // left border on the outermost container (rather than separately setting\n      // the left border on the container's children). This makes it complicated\n      // to get the focus ring to simultaneously cover the left border in the\n      // header and align perfectly on the right with the body.\n      .admonition-title:focus-within::before {\n        content: \"\";\n        transform: translateX(\n          -$admonition-left-border-width\n        ); // align left edges of admonition and ring\n\n        width: calc(100% + $admonition-left-border-width); // align right edges\n        height: 100%;\n        border: $focus-ring-outline;\n        border-radius: $focus-ring-width;\n      }\n\n      // When expanded, sharpen the bottom left and right corners of the focus ring\n      &:not(.toggle-hidden) .admonition-title:focus-within::before {\n        border-bottom-left-radius: 0;\n        border-bottom-right-radius: 0;\n      }\n    }\n  }\n\n  // Details buttons\n  details.toggle-details {\n    // Over-ride border color to re-use our primary color\n    summary {\n      border-left: 3px solid var(--pst-color-primary);\n\n      @include chevron-down;\n    }\n\n    // When expanded, sharpen the bottom left and right corners of the focus ring\n    &[open] {\n      @include chevron-up;\n\n      :focus-visible {\n        border-bottom-left-radius: 0;\n        border-bottom-right-radius: 0;\n      }\n    }\n  }\n}\n","/**\n * Styles for various Sphinx execution libraries to display pre-executed notebooks.\n * For now, where these define output sections, we simply revert their background\n * to be a \"light theme\" background. This ensures that inputs/outputs behave similarly,\n * because the CSS is often controlled by each package.\n * In the future, we might add dark theme support for specific packages.\n */\n\n/*******************************************************************************\n * nbsphinx\n */\nhtml div.rendered_html,\n// NBsphinx ipywidgets output selector\nhtml .jp-RenderedHTMLCommon {\n  // Add some margin around the element box for the focus ring. Otherwise the\n  // focus ring gets clipped because the containing elements have `overflow:\n  // hidden` applied to them (via the `.lm-Widget` selector)\n  margin: $focus-ring-width;\n\n  table {\n    table-layout: auto;\n  }\n}\n\n.bd-content .nboutput {\n  .output_area {\n    &.rendered_html,\n    .jp-RenderedHTMLCommon {\n      // pandas\n      table.dataframe {\n        @include table-colors;\n      }\n    }\n\n    // Dark theme special-cases\n    html[data-theme=\"dark\"] & {\n      &.rendered_html:not(:has(table.dataframe)),\n      // ipywidgets\n      .widget-subarea {\n        @include cell-output-background;\n      }\n\n      &.stderr {\n        background-color: var(--pst-color-danger);\n      }\n    }\n  }\n}\n\n// Add extra padding to the final item in an nbsphinx container\ndiv.nblast.container {\n  margin-bottom: 1rem;\n}\n\n/*******************************************************************************\n * myst NB\n */\n\ndiv.cell_output .output {\n  max-width: 100%;\n  overflow-x: auto;\n}\n\n.bd-content div.cell_output {\n  // pandas\n  table.dataframe {\n    @include table-colors;\n  }\n\n  html[data-theme=\"dark\"] & {\n    img,\n    .text_html:not(:has(table.dataframe)),\n    // ipywidgets\n    .widget-subarea {\n      @include cell-output-background;\n    }\n  }\n}\n\n// Prevent tables from scrunching together\n.bd-content {\n  div.cell_input {\n    display: flex;\n    flex-direction: column;\n    justify-content: stretch;\n  }\n\n  div.cell_input,\n  div.output {\n    border-radius: $admonition-border-radius;\n  }\n\n  div.output {\n    table {\n      table-layout: auto;\n    }\n  }\n}\n","/**\n * style for the various mapping libs based on leaflet (folium, geemap, ipyleaflet)\n * mainly ensure the good display of the maps in both themes and avoid the customization\n * of the tiles\n */\n\n/**\n * avoid border override from pydata-sphinx-theme\n * minimal selctor to get the priority\n */\nhtml[data-theme=\"dark\"] .bd-content img.leaflet-tile.leaflet-tile-loaded {\n  border-radius: 0;\n  padding: 0;\n}\n","/**\n * /search.html page special-cases\n */\n\n.bd-search-container {\n  /*******************************************\n  * Search results\n  */\n  // Whitespace\n  div#search-results {\n    > h2 {\n      font-size: var(--pst-font-size-icon);\n      margin-top: 1rem;\n    }\n\n    p.search-summary {\n      color: var(--pst-color-text-muted);\n    }\n  }\n\n  ul.search {\n    margin: 0;\n    list-style: none;\n\n    li {\n      background-image: none;\n      padding: 1rem 0;\n      margin: 1rem 0;\n      border-top: 1px solid var(--pst-color-text-muted);\n\n      // First link is the page title, it should be a bit bigger\n      > a {\n        font-size: 1.2em;\n      }\n\n      div.context,\n      p.context {\n        color: var(--pst-color-text-base);\n        margin: 0.5em 0 0;\n\n        // Add a # before page section titles to make it clear they are sections\n        a::before {\n          content: \"#\";\n          padding-right: 0.2em;\n          color: var(--pst-color-text-muted);\n        }\n      }\n    }\n  }\n}\n"],"names":[],"sourceRoot":""}
\ No newline at end of file
diff --git a/_static/styles/sphinx-book-theme.css b/_static/styles/sphinx-book-theme.css
index 56c23f180..5197540c9 100644
--- a/_static/styles/sphinx-book-theme.css
+++ b/_static/styles/sphinx-book-theme.css
@@ -5,4 +5,5 @@
  *
  * This follows the 7-1 pattern described here:
  * https://sass-guidelin.es/#architecture
- */html[data-theme=dark],html[data-theme=light]{--pst-font-size-base:none;--pst-color-secondary:#e89217}html[data-theme=light]{--sbt-color-announcement:#616161;--pst-color-primary:#176de8}html[data-theme=dark]{--pst-color-primary:#528fe4;--sbt-color-announcement:#616161;--pst-color-background:#121212}html{scroll-padding-top:4rem}.sbt-scroll-pixel-helper{position:absolute;width:0;height:0;top:0;left:0}.d-n,.onlyprint{display:none}@media print{.onlyprint{display:block!important}}@media print{.noprint{display:none!important}}.bd-article-container h1,.bd-article-container h2,.bd-article-container h3,.bd-article-container h4,.bd-article-container h5,.bd-article-container p.caption{color:var(--pst-color-muted)}.bd-article-container h1,.bd-article-container h2{font-weight:500}a.brackets:before{color:inherit;font-family:inherit;margin-right:0}table{position:relative}@media print{.bd-main .bd-content{margin-left:2rem;height:auto}.bd-main .bd-content #jb-print-docs-body{margin-left:0}.bd-main .bd-content #jb-print-docs-body h1{font-size:3em;text-align:center;margin-bottom:0}.bd-main .bd-content .bd-article{padding-top:0}.bd-main .bd-content .bd-article h1:first-of-type{display:none}.bd-main .bd-content .container{min-width:0!important}.bd-main .bd-content h1{margin-top:1em;margin-bottom:1em}.bd-main .bd-content h1,.bd-main .bd-content h2,.bd-main .bd-content h3,.bd-main .bd-content h4{break-after:avoid;color:#000}.bd-main .bd-content table{break-inside:avoid}.bd-main .bd-content pre{word-wrap:break-word}.bd-main .bd-content a.headerlink{display:none}.bd-main .bd-content aside.margin,.bd-main .bd-content aside.sidebar,.bd-main .bd-content blockquote.epigraph{border:none}.bd-main .bd-content .footer{margin-top:1em}.bd-main .bd-content #jb-print-toc{margin-bottom:1.5rem;margin-left:0}.bd-main .bd-content #jb-print-toc .section-nav{border-left:0!important;list-style-type:disc!important;margin-left:3em!important}.bd-main .bd-content #jb-print-toc .section-nav 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1em;\n        margin-bottom: 1em;\n      }\n      h1,\n      h2,\n      h3,\n      h4 {\n        break-after: avoid;\n        color: black;\n      }\n\n      table {\n        break-inside: avoid;\n      }\n\n      pre {\n        word-wrap: break-word;\n      }\n\n      a.headerlink {\n        display: none;\n      }\n\n      // Remove borders to save some ink\n      blockquote.epigraph,\n      aside.margin,\n      aside.sidebar {\n        border: none;\n      }\n\n      .footer {\n        margin-top: 1em;\n      }\n      // Print-only table of contents\n      #jb-print-toc {\n        margin-bottom: 1.5rem;\n        margin-left: 0rem;\n        .section-nav {\n          border-left: 0px !important;\n          list-style-type: disc !important;\n          margin-left: 3em !important;\n          a {\n            text-decoration: none !important;\n          }\n          li {\n            display: list-item !important;\n          }\n          .nav {\n            display: none;\n          }\n        }\n      }\n    }\n\n    // Hide the footer on printing\n    .bd-footer-content {\n      display: none !important;\n    }\n  }\n}\n",".bd-header-announcement {\n  background-color: var(--sbt-color-announcement);\n  color: #fff;\n}\n",".bd-main .bd-content {\n  // make article container left aligned in absence of sidebar\n  justify-content: left;\n}\n",".bd-main .bd-content .bd-article-container {\n  // Re-adjust padding defaults to be flush on the top and right\n  padding: 0rem;\n  // Unset overflow x so that sticky: top works for the article header\n  overflow-x: unset;\n  // prevent from overflowing the flex container\n  min-width: 0;\n\n  @media (min-width: $breakpoint-xl) {\n    // keep article at reasonable width in absence of sidebar\n    max-width: calc(100% - var(--pst-sidebar-secondary));\n  }\n\n  .bd-article {\n    padding-right: 2rem;\n    padding-left: 2rem;\n    @media (max-width: $breakpoint-md) {\n      padding-right: 1rem;\n      padding-left: 1rem;\n    }\n  }\n  details.above-input,\n  details.below-input {\n    summary {\n      border-left: 3px solid var(--pst-color-primary);\n    }\n  }\n}\n","/*********************************************\n* Top Bar *\n*********************************************/\n/**\n * Mixin:\n * Header behavior on mobile\n */\n@mixin header-height-mobile {\n  @media (max-width: $breakpoint-md) {\n    height: $header-article-height + 0.5rem;\n  }\n}\n\n/**\n * Sidebar toggle over-rides for PST\n */\n// Primary toggle is always visible\nbutton.sidebar-toggle.primary-toggle {\n  @media (min-width: $breakpoint-md) {\n    display: inline-block;\n  }\n  @media (max-width: $breakpoint-md) {\n    margin-bottom: 0px;\n  }\n}\n\n// Secondary toggle mimics behavior of \"persistent header\" div of PST\nbutton.sidebar-toggle.secondary-toggle {\n  @media (min-width: $breakpoint-xl) {\n    display: none;\n  }\n  @media (max-width: $breakpoint-md) {\n    margin-bottom: 0px;\n  }\n}\n\n// Wrapper container\n.bd-header-article {\n  display: flex;\n  align-items: center;\n  position: sticky;\n  top: 0;\n  background-color: var(--pst-color-background);\n  transition: left 0.2s;\n  font-size: 0.9em;\n  padding: 0 1rem;\n\n  @media (max-width: $breakpoint-md) {\n    // Give mobile view a bit more space for text\n    padding: 0 0.5rem;\n  }\n  z-index: $zindex-sticky;\n\n  @include header-height-mobile;\n\n  // The box shadow that shows up when you've scrolled past the top\n  .scrolled & {\n    box-shadow: 0 6px 6px -6px var(--pst-color-shadow);\n  }\n\n  // Remove inner padding so that spacing of buttons is a bit tighter\n  .header-article__inner {\n    padding: 0;\n  }\n\n  // Inner container with items in it\n  .header-article-items {\n    display: flex;\n    align-items: center;\n    height: $header-article-height;\n    width: 100%;\n  }\n\n  // Contains the individual item components so we want it centered\n  .header-article-item {\n    display: flex;\n    align-items: center;\n  }\n\n  /**\n  * Buttons in the header\n  */\n  // A series of buttons we special-case in the theme\n  .article-header-buttons {\n    display: flex;\n  }\n\n  // Generic button styles\n  .btn {\n    // Basic button size\n    font-size: 1.3rem;\n    color: var(--pst-color-text-muted);\n    border: none;\n    padding-left: 0.5rem;\n    padding-right: 0.5rem;\n\n    // Make sure anything inside is aligned vertically\n    display: flex;\n    align-items: center;\n\n    // Fix width of buttons so they're all the same\n    svg {\n      width: 1.3rem;\n    }\n\n    // Hover / active behavior\n    &.show,\n    &:hover {\n      color: var(--pst-color-text-base);\n      border: none;\n      & + .dropdown-menu {\n        display: block;\n      }\n    }\n    &:focus {\n      box-shadow: none;\n    }\n\n    &.dropdown-toggle {\n      // Hide the bootstrap caret\n      &:after {\n        display: none;\n      }\n    }\n  }\n\n  // Vertically align dropdown buttons\n  div.dropdown {\n    display: flex;\n    align-items: center;\n  }\n\n  .theme-switch-button {\n    // Removing some special-casing that was needed in PST\n    margin: 0;\n\n    // Remove extra padding since it is already there between sidebar items\n    span,\n    i,\n    button {\n      padding: 0;\n    }\n\n    // No background on hover. Need important to over-ride the PST which uses it too.\n    span,\n    i {\n      transition: color $animation-time ease-out;\n    }\n    &:active,\n    &:hover {\n      background-color: unset !important;\n      span,\n      i {\n        color: var(--pst-color-text-base);\n      }\n    }\n  }\n\n  // The menu that is normally hidden until you hover\n  .dropdown-menu {\n    // Hidden unless we are hovering\n    &:hover {\n      display: block;\n    }\n\n    // Positioning and layout of dropdown items to be standardized\n    top: 2rem;\n    transform: translateX(-75%);\n    @include pst-box-shadow;\n\n    // Color and shadowing\n    border-color: var(--pst-color-border);\n    background-color: var(--pst-color-background);\n    color: var(--pst-color-text-muted);\n\n    .dropdown-item {\n      display: inline-flex;\n      align-items: center;\n      padding-left: 0.5em;\n\n      // To prevent link underline from showing up\n      &:hover {\n        text-decoration: none;\n        background-color: initial;\n        color: var(--pst-color-text-base);\n      }\n\n      // Slightly smaller font for everything\n      font-size: 1em;\n\n      // Image icons should be the same height as <i> icons\n      span img {\n        height: 1em;\n      }\n\n      span.btn__icon-container {\n        width: 1.7em;\n        align-items: center;\n        display: inline-flex;\n        justify-content: center;\n      }\n    }\n  }\n}\n","/*********************************************\n* SASS Mixins\n*********************************************/\n/**\n* Hide the scrollbar until the element is hovered, so keep the page clean\n* Use this sparingly because it's not a great UX pattern.\n*/\n@mixin scrollbar-on-hover() {\n  &:not(:hover) {\n    &::-webkit-scrollbar-thumb {\n      visibility: hidden;\n    }\n  }\n}\n\n/**\n * The PyData Sphinx Theme box shadow rule\n * Copied here in csae we need to re-use.\n*/\n@mixin pst-box-shadow() {\n  box-shadow:\n    0 0.2rem 0.5rem var(--pst-color-shadow),\n    0 0 0.0625rem var(--pst-color-shadow) !important;\n}\n",".bd-header {\n  // Turn off sticky positioning so that it scrolls\n  position: inherit;\n\n  // Turn these off because we'll show it in the article header\n  // The primary sidebar toggle\n  button.sidebar-toggle {\n    display: none;\n  }\n}\n","/*********************************************\n* Left Nav Bar *\n*********************************************/\n\n.bd-sidebar-primary {\n  // So that it sticks to the top of the page instead of the header height\n  top: 0;\n  max-height: 100vh;\n\n  // Tighter padding so the spacing is more equal\n  padding: 1rem;\n\n  // Draw open/close animation\n  transition:\n    margin-left $animation-time ease 0s,\n    opacity $animation-time ease 0s,\n    visibility $animation-time ease 0s;\n\n  @media (max-width: $breakpoint-md) {\n    // So that tooltips don't overlap\n    z-index: $zindex-tooltip + 1;\n  }\n\n  // Remove the top border since there's often no header items above\n  .sidebar-primary-items__start {\n    border-top: none;\n  }\n\n  // On wide screens we have a smaller sidebar width than PST\n  @media (min-width: $breakpoint-lg) {\n    flex-basis: $sidebar-primary-width-widescreen;\n  }\n}\n\n// Default visibility for left sidebar is the reverse of what it is on mobile.\n// It is shown by default, and hidden with a click.\n// Mobile behavior is defined in the pydata sphinx theme\n@media (min-width: $breakpoint-lg) {\n  input#pst-primary-sidebar-checkbox:checked\n    ~ .bd-container\n    .bd-sidebar-primary {\n    margin-left: -$sidebar-primary-width-widescreen;\n    visibility: hidden;\n    opacity: 0;\n  }\n}\n","/*********************************************\n* Table of Contents (right nav bar)          *\n*********************************************/\n\n.bd-sidebar-secondary {\n  // So that it sticks to the top of the page instead of the header height\n  top: 0;\n\n  @media (max-width: $breakpoint-xl) {\n    // So that tooltips don't overlap\n    z-index: $zindex-tooltip + 1;\n  }\n\n  // So that we can center the TOC button with the article header buttons\n  .sidebar-secondary-items {\n    padding: 0;\n    display: flex;\n    gap: 0.5rem;\n\n    // Remove the manual padding since we'll use `gap`\n    .sidebar-secondary-item {\n      padding-top: 0;\n      padding-bottom: 0;\n    }\n  }\n\n  // The 'on this page' title div should take up the full header\n  .onthispage {\n    height: $header-article-height;\n    min-height: $header-article-height;\n    display: flex;\n    gap: 0.5rem;\n    align-items: center;\n    margin: 0;\n    color: var(--pst-color-muted);\n  }\n\n  // Wide screen behavior\n  @media (min-width: $breakpoint-xl) {\n    background: var(--pst-color-background);\n    height: fit-content;\n    transition: max-height 0.4s ease;\n\n    // To make sure it shows above the page content\n    z-index: $zindex-middle;\n\n    // Remove padding so that it's flush on the top and left\n    padding: 0;\n\n    // This is the container div for the secondary sidebar nav\n    .toc-item {\n      // Border is a bit less prominent\n      border-left-color: var(--pst-color-surface);\n      // Flush with the top so that we can fix the height of the toc header div\n      padding-top: 0;\n\n      // The table of contents <ul> after the title div\n      nav.page-toc {\n        // Remove extra margin the PST adds for other sidebar items\n        margin-bottom: 0;\n\n        // Items after \"on this page' should fade in and out\n        transition: opacity 0.4s ease;\n      }\n    }\n\n    // Rules for when sidebar is hidden\n    // the `not:hover` means that hovering over the sidebar will show it again.\n    &.hide:not(:hover) {\n      // Cap the height, and remove the scrollbar\n      max-height: $header-article-height;\n      overflow-y: hidden;\n\n      // Shadow matches what we have in the article header\n      .scrolled & {\n        box-shadow: 0 6px 6px -6px rgba(0, 0, 0, 0.3);\n      }\n\n      // Show a down carot\n      .onthispage:after {\n        opacity: 1;\n        content: \"\\f107\";\n        font-family: \"Font Awesome 5 Free\";\n        font-weight: 900;\n        padding-left: 0.5em;\n        transition: opacity 0.3s ease;\n      }\n\n      // The page-toc list is hidden\n      nav.page-toc {\n        opacity: 0;\n      }\n    }\n  }\n}\n","/*********************************************\n* Footer - content *\n*********************************************/\nfooter {\n  font-size: var(--sbt-font-size-small-1);\n  &.bd-footer-content {\n    display: flex;\n    flex-wrap: wrap;\n    padding: 15px;\n    border-top: 1px solid #ccc;\n    font-size: $sbt-font-size-small-1;\n    .bd-footer-content__inner {\n      padding-left: 0px;\n      p {\n        margin-bottom: 0px;\n      }\n    }\n  }\n}\n",".bd-footer-article {\n  padding: 0rem 1rem;\n  @media (max-width: $breakpoint-md) {\n    // More room for text on mobile\n    padding: 0rem 0.5rem;\n  }\n}\n","#pst-back-to-top {\n  // We should only display the back-to-top button when the TOC is not available.\n  // AKA, on narrow-ish screens.\n  // This over-rides a PST default\n  @media (min-width: $breakpoint-xl) {\n    display: none !important;\n  }\n\n  // Reduce size to be slightly less intrusive on the page\n  font-size: 0.8rem;\n}\n","/**\n * Icon links design for the primary sidebar, where it defaults in this theme.\n */\n.bd-sidebar-primary {\n  .navbar-icon-links {\n    column-gap: 0.5rem;\n\n    .nav-link {\n      // There are few kinds of elements that can be icon links and each is different\n      i,\n      span {\n        font-size: 1.2rem;\n      }\n\n      // Images usually fill more vertical space so we make them a bit smaller\n      img {\n        font-size: 0.8rem;\n      }\n    }\n  }\n}\n",".navbar-brand {\n  height: unset;\n  max-height: unset;\n\n  // Auto-center the image and title and make items vertical\n  flex-direction: column;\n  justify-content: center;\n  gap: 0.25rem;\n\n  // To prevent site text from having underlines\n  &:hover {\n    text-decoration: none;\n  }\n  .logo__title {\n    font-size: 1.25rem;\n    white-space: normal;\n    text-align: center;\n  }\n  // Prevent images from stretching vertically\n  .logo__image {\n    height: unset;\n  }\n}\n","// Clean up the search page so that it has less unnecessary text\n.bd-search-container {\n  margin: 2em;\n\n  #search-results {\n    h2:first-child {\n      display: none;\n    }\n  }\n}\n\n// Sidebar search button field\n.search-button-field {\n  width: 100%;\n  font-size: 0.9rem;\n  // Hide by default and we'll add a rule to show it on wide sreen below\n  display: none;\n\n  .search-button__kbd-shortcut {\n    margin-left: auto;\n  }\n}\n\n// Rules to switch off visibility of the field button and the header button\n@media (min-width: $breakpoint-lg) {\n  .search-button {\n    display: none !important;\n  }\n\n  .search-button-field {\n    display: flex;\n  }\n}\n\n// The \"clear search results\" button\n// Make it line up with our content better\ndiv#searchbox {\n  padding-right: 2rem;\n  padding-left: 2rem;\n  @media (max-width: $breakpoint-md) {\n    padding-right: 1rem;\n    padding-left: 1rem;\n  }\n\n  p.highlight-link {\n    // Remove the extra margin that is added\n    @media (min-width: $breakpoint-md) {\n      margin-left: 0;\n      a {\n        font-size: 1rem;\n      }\n    }\n  }\n}\n","// Images\nimg {\n  max-width: 100%;\n\n  &.align-center {\n    margin-left: auto;\n    margin-right: auto;\n    display: block;\n  }\n\n  &.align-left {\n    clear: left;\n    float: left;\n    margin-right: 1em;\n  }\n\n  &.align-right {\n    clear: right;\n    float: right;\n    margin-left: 1em;\n  }\n}\n\n// Figures\ndiv.figure {\n  width: 100%;\n  margin-bottom: 1em;\n  text-align: center;\n\n  &.align-left {\n    text-align: left;\n    p.caption {\n      margin-left: 0;\n    }\n  }\n  &.align-right {\n    text-align: right;\n    p.caption {\n      margin-right: 0;\n    }\n  }\n\n  p.caption {\n    margin: 0.5em 10%;\n  }\n\n  &.margin,\n  &.margin-caption {\n    p.caption {\n      margin: 0.5em 0;\n    }\n  }\n\n  &.margin-caption p.caption {\n    text-align: left;\n  }\n\n  span.caption-number {\n    font-weight: bold;\n  }\n\n  span {\n    font-size: 0.9rem;\n  }\n}\n","/**\n * Margin content\n * This is the area to the right of the main content\n * normally covered by the in-page table of contents\n * but if `.margin` classes are present, it shows up to the right in the margin\n * and the in-page TOC is hidden.\n * On narrow screens, margin content behaves like a sidebar\n */\n\n/**\n * Variables for calculating margin widths\n */\n// We want our margin content to be 1/3 the width of the main page content\n// after factoring in a small margin\n$margin-width-relative-to-content: 36%;\n$margin-gutter: 3%;\n$margin-width-width-gutter: $margin-width-relative-to-content - $margin-gutter;\n\n// re-subtract the gutter width because we want it to leave a white-space\n// This is how much to offset the margin content.\n$margin-offset: -$margin-width-relative-to-content;\n\n/**\n * This mixin will cause something to \"pop out\" to the margin on wide screens\n */\n@mixin margin-content() {\n  // On narrow screens this is the width of margin content\n  width: 40%;\n  float: right;\n  background-color: unset;\n  font-size: 0.9em;\n  margin-left: 0.5rem;\n\n  // Wide screens and printing should force margin behavior\n  @media (min-width: $breakpoint-lg), print {\n    width: $margin-width-width-gutter;\n    margin: 0 $margin-offset 0 0;\n\n    // Prevent sequential margin content from overlapping\n    clear: right;\n\n    p.sidebar-title {\n      margin-bottom: -1rem;\n      border-bottom: none;\n      padding-left: 0px;\n\n      // Content of admonitions has fewer horizontal white space to save space\n      ~ * {\n        padding-left: 0px;\n        padding-right: 0px;\n      }\n    }\n  }\n}\n\n/**\n * Sidenotes and marginnotes\n * over-rides the \"footnote\" behavior to pop out to the margin instead.\n */\nlabel.margin-toggle {\n  margin-bottom: 0em;\n  &.marginnote-label {\n    display: none;\n  }\n  sup {\n    user-select: none;\n  }\n  @media (max-width: $breakpoint-lg) {\n    cursor: pointer;\n    color: rgb(0, 113, 188);\n    &.marginnote-label {\n      display: inline;\n      &:after {\n        content: \"\\2295\";\n      }\n    }\n  }\n}\n\ninput.margin-toggle {\n  display: none;\n  @media (max-width: $breakpoint-lg) {\n    &:checked + .sidenote,\n    &:checked + .marginnote {\n      display: block;\n      float: left;\n      left: 1rem;\n      clear: both;\n      width: 95%;\n      margin: 1rem 2.5%;\n      position: relative;\n    }\n  }\n}\n\nspan.sidenote,\nspan.marginnote {\n  z-index: $zindex-middle;\n  position: relative;\n  sup {\n    user-select: none;\n  }\n  @include margin-content();\n  border-left: none;\n  @media (max-width: $breakpoint-lg) {\n    display: none;\n  }\n}\n\naside.sidebar {\n  .note {\n    // styling for notes inside sidebars\n    margin: 1rem;\n    padding: 0rem 0rem 1rem 0rem;\n  }\n  // The titles sticking\n  .admonition-title {\n    margin: 0rem -1rem 0rem 0rem;\n  }\n}\n\n/**\n * Sidebar content in the margin.\n * This will be added by the `margin` directive or the `sidebar` directive\n */\naside.sidebar.margin {\n  // Margin content can have an empty title so this prevents an empty title block\n  // from showing up on mobile\n  .sidebar-title:empty {\n    display: none;\n  }\n\n  // On narrow screens padding is added to all sidebar content\n  // This replaces padding w/ margin for admonitions because padding is used\n  // for the title background color\n  .admonition {\n    margin: 0.5rem;\n    padding-left: 0;\n    padding-right: 0;\n\n    // Remove the title margin so it\n    .admonition-title {\n      margin-left: 0;\n      margin-right: 0;\n    }\n  }\n\n  @media (min-width: $breakpoint-lg) {\n    // No border for margin sidebars on wide screen\n    border: none;\n\n    // Admonitions don't need the extra whitespace in the margin\n    .admonition {\n      margin: 1rem 0rem;\n      padding: 0rem 0rem 1rem 0rem;\n    }\n  }\n}\n\ndiv.margin,\nfigure.margin,\naside.margin,\n.margin.docutils.container,\n.cell.tag_popout,\n.cell.tag_margin {\n  z-index: $zindex-middle;\n  position: relative;\n  @include margin-content();\n\n  // Make cell outputs take up more space if they're in the margin\n  div.cell.tag_margin .cell_output {\n    padding-left: 0;\n  }\n}\n\n// A few permutations because docutils 0.18 switched to semantic tags\ndiv.figure.margin-caption p.caption,\ndiv.figure.margin-caption figcaption,\nfigure.margin-caption figcaption {\n  z-index: $zindex-middle;\n  position: relative;\n  @include margin-content();\n}\n\n// Margin captions\n.margin-caption figcaption {\n  text-align: left;\n}\n\n/**\n * Full width content\n */\n\n// Grow 100% by the ratio of the margin to the content width.\n$content-fullwidth-width: 100% + $margin-width-relative-to-content;\n\ndiv.cell.tag_full-width,\ndiv.cell.tag_full_width,\ndiv.full_width,\ndiv.full-width {\n  z-index: $zindex-middle;\n  position: relative;\n  @media (min-width: $breakpoint-lg) {\n    max-width: $content-fullwidth-width;\n    width: $content-fullwidth-width;\n  }\n}\n","/**\n * Epigraphs and other \"special\" quote blocks\n */\n\nblockquote {\n  &.pull-quote,\n  &.epigraph,\n  &.highlights {\n    font-size: 1.25em;\n    border-left: none;\n    background-color: var(--pst-color-background);\n  }\n\n  div > p + p.attribution {\n    font-style: normal;\n    font-size: 0.9em;\n    text-align: right;\n    color: #6c757d;\n    padding-right: 2em;\n  }\n}\n","// Over-ride Sphinx default so that content fills whitespace w/ margin content\npre,\ndiv[class*=\"highlight-\"] {\n  clear: none;\n}\n","// MyST-NB and Jupyter Notebooks\ndiv.cell.tag_output_scroll div.cell_output,\ndiv.cell.tag_scroll-output div.cell_output {\n  max-height: 24em;\n  overflow-y: auto;\n}\n\ndiv.cell.tag_scroll-input div.cell_input {\n  max-height: 24em;\n  overflow-y: auto;\n}\n","/**\n * Comment JavaScript libraries\n  * Libraries supported here are:\n  * - Hypothes.is : https://web.hypothes.is/\n  * - Utteranc.es : https://utteranc.es/\n  */\n// In general we want to hide any comment libraries on print\n@media only print {\n  hypothesis-sidebar,\n  div.utterances {\n    display: none;\n  }\n}\n","/*********************************************\n* Thebe *\n* ref: https://github.com/executablebooks/thebe\n*********************************************/\n.thebelab-cell {\n  border: none !important;\n  margin-right: 0.5em !important;\n}\n\n.thebelab-cell .thebelab-input {\n  padding-left: 10px !important;\n}\n\n.cell.docutils.container {\n  padding-right: 0px !important;\n}\n\nbutton.thebe-launch-button {\n  height: 2.5em;\n  font-size: 1em;\n}\n"],"names":[],"sourceRoot":""}
\ No newline at end of file
diff --git a/_static/vendor/fontawesome/6.5.1/css/all.min.css b/_static/vendor/fontawesome/6.5.1/css/all.min.css
deleted file mode 100644
index 5f2038f00..000000000
--- a/_static/vendor/fontawesome/6.5.1/css/all.min.css
+++ /dev/null
@@ -1,5 +0,0 @@
-/*!
- * Font Awesome Free 6.5.1 by @fontawesome - https://fontawesome.com
- * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License)
- * Copyright 2023 Fonticons, Inc.
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diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2 b/_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2
deleted file mode 100644
index 36fbda7d3..000000000
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2 and /dev/null differ
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2 b/_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2
deleted file mode 100644
index b6cabbacb..000000000
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2 and /dev/null differ
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2 b/_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2
deleted file mode 100644
index 824d518eb..000000000
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diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.woff2 b/_static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.woff2
deleted file mode 100644
index e09b5a550..000000000
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.woff2 and /dev/null differ
diff --git a/_static/vendor/fontawesome/6.5.1/LICENSE.txt b/_static/vendor/fontawesome/6.5.2/LICENSE.txt
similarity index 98%
rename from _static/vendor/fontawesome/6.5.1/LICENSE.txt
rename to _static/vendor/fontawesome/6.5.2/LICENSE.txt
index 39e18e3d3..e69c5e39a 100644
--- a/_static/vendor/fontawesome/6.5.1/LICENSE.txt
+++ b/_static/vendor/fontawesome/6.5.2/LICENSE.txt
@@ -23,7 +23,7 @@ as SVG and JS file types.
 In the Font Awesome Free download, the SIL OFL license applies to all icons
 packaged as web and desktop font files.
 
-Copyright (c) 2023 Fonticons, Inc. (https://fontawesome.com)
+Copyright (c) 2024 Fonticons, Inc. (https://fontawesome.com)
 with Reserved Font Name: "Font Awesome".
 
 This Font Software is licensed under the SIL Open Font License, Version 1.1.
@@ -123,7 +123,7 @@ OTHER DEALINGS IN THE FONT SOFTWARE.
 In the Font Awesome Free download, the MIT license applies to all non-font and
 non-icon files.
 
-Copyright 2023 Fonticons, Inc.
+Copyright 2024 Fonticons, Inc.
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
 this software and associated documentation files (the "Software"), to deal in the
diff --git a/_static/vendor/fontawesome/6.5.2/css/all.min.css b/_static/vendor/fontawesome/6.5.2/css/all.min.css
new file mode 100644
index 000000000..628b2ccdf
--- /dev/null
+++ b/_static/vendor/fontawesome/6.5.2/css/all.min.css
@@ -0,0 +1,5 @@
+/*!
+ * Font Awesome Free 6.5.2 by @fontawesome - https://fontawesome.com
+ * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License)
+ * Copyright 2024 Fonticons, Inc.
+ */.fa{font-family:var(--fa-style-family,"Font Awesome 6 Free");font-weight:var(--fa-style,900)}.fa,.fa-brands,.fa-classic,.fa-regular,.fa-sharp,.fa-solid,.fab,.far,.fas{-moz-osx-font-smoothing:grayscale;-webkit-font-smoothing:antialiased;display:var(--fa-display,inline-block);font-style:normal;font-variant:normal;line-height:1;text-rendering:auto}.fa-classic,.fa-regular,.fa-solid,.far,.fas{font-family:Font Awesome\ 6 Free}.fa-brands,.fab{font-family:Font Awesome\ 6 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diff --git a/_static/vendor/fontawesome/6.5.1/js/all.min.js.LICENSE.txt b/_static/vendor/fontawesome/6.5.2/js/all.min.js.LICENSE.txt
similarity index 55%
rename from _static/vendor/fontawesome/6.5.1/js/all.min.js.LICENSE.txt
rename to _static/vendor/fontawesome/6.5.2/js/all.min.js.LICENSE.txt
index ef6dda407..a91750aff 100644
--- a/_static/vendor/fontawesome/6.5.1/js/all.min.js.LICENSE.txt
+++ b/_static/vendor/fontawesome/6.5.2/js/all.min.js.LICENSE.txt
@@ -1,5 +1,5 @@
 /*!
- * Font Awesome Free 6.5.1 by @fontawesome - https://fontawesome.com
+ * Font Awesome Free 6.5.2 by @fontawesome - https://fontawesome.com
  * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License)
- * Copyright 2023 Fonticons, Inc.
+ * Copyright 2024 Fonticons, Inc.
  */
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.ttf b/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.ttf
similarity index 92%
rename from _static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.ttf
rename to _static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.ttf
index 5efb1d4f9..1fbb1f7c3 100644
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.ttf and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.ttf differ
diff --git a/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2 b/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2
new file mode 100644
index 000000000..5d2802169
Binary files /dev/null and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2 differ
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.ttf b/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.ttf
similarity index 95%
rename from _static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.ttf
rename to _static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.ttf
index 838b4e2cf..549d68dc0 100644
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.ttf and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.ttf differ
diff --git a/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2 b/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2
new file mode 100644
index 000000000..18400d7fa
Binary files /dev/null and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2 differ
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.ttf b/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.ttf
similarity index 93%
rename from _static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.ttf
rename to _static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.ttf
index ec24749db..bb2a86956 100644
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.ttf and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.ttf differ
diff --git a/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2 b/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2
new file mode 100644
index 000000000..758dd4f60
Binary files /dev/null and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2 differ
diff --git a/_static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.ttf b/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.ttf
similarity index 86%
rename from _static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.ttf
rename to _static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.ttf
index b175aa8ec..8c5864c42 100644
Binary files a/_static/vendor/fontawesome/6.5.1/webfonts/fa-v4compatibility.ttf and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.ttf differ
diff --git a/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2 b/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2
new file mode 100644
index 000000000..f94bec227
Binary files /dev/null and b/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2 differ
diff --git a/_static/webpack-macros.html b/_static/webpack-macros.html
index 243a8589f..72d229f6a 100644
--- a/_static/webpack-macros.html
+++ b/_static/webpack-macros.html
@@ -4,28 +4,28 @@
 -->
 {# Load FontAwesome icons #}
 {% macro head_pre_icons() %}
-  <link href="{{ pathto('_static/vendor/fontawesome/6.5.1/css/all.min.css', 1) }}?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2', 1) }}" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2', 1) }}" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2', 1) }}" />
+  <link href="{{ pathto('_static/vendor/fontawesome/6.5.2/css/all.min.css', 1) }}?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2', 1) }}" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2', 1) }}" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="{{ pathto('_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2', 1) }}" />
 {% endmacro %}
 
 {% macro head_pre_assets() %}
   <!-- Loaded before other Sphinx assets -->
-  <link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="{{ pathto('_static/styles/theme.css', 1) }}?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="{{ pathto('_static/styles/bootstrap.css', 1) }}?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="{{ pathto('_static/styles/pydata-sphinx-theme.css', 1) }}?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 {% endmacro %}
 
 {% macro head_js_preload() %}
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=8d27b9dea8ad943066ae" />
-  <script src="{{ pathto('_static/vendor/fontawesome/6.5.1/js/all.min.js', 1) }}?digest=8d27b9dea8ad943066ae"></script>
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-<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=8d27b9dea8ad943066ae"></script>
+  <script src="{{ pathto('_static/scripts/bootstrap.js', 1) }}?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="{{ pathto('_static/scripts/pydata-sphinx-theme.js', 1) }}?digest=dfe6caa3a7d634c4db9b"></script>
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diff --git a/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.html b/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.html
index 14446143c..2c9c3f070 100644
--- a/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.html
+++ b/autoapi/adsorbml/2023_neurips_challenge/challenge_eval/index.html
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.process_ml_data"><code class="docutils literal notranslate"><span class="pre">process_ml_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.process_ml_data"><code class="docutils literal notranslate"><span class="pre">process_ml_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,12 +639,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-adsorbml.2023_neurips_challenge.challenge_eval">
-<span id="adsorbml-2023-neurips-challenge-challenge-eval"></span><h1><a class="reference internal" href="#module-adsorbml.2023_neurips_challenge.challenge_eval" title="adsorbml.2023_neurips_challenge.challenge_eval"><code class="xref py py-mod docutils literal notranslate"><span class="pre">adsorbml.2023_neurips_challenge.challenge_eval</span></code></a><a class="headerlink" href="#module-adsorbml.2023_neurips_challenge.challenge_eval" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="adsorbml-2023-neurips-challenge-challenge-eval"></span><h1>adsorbml.2023_neurips_challenge.challenge_eval<a class="headerlink" href="#module-adsorbml.2023_neurips_challenge.challenge_eval" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful" title="adsorbml.2023_neurips_challenge.challenge_eval.is_successful"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_successful</span></code></a>(best_pred_energy, best_dft_energy[, ...])</p></td>
 <td><p>Computes the success rate given the best predicted energy</p></td>
@@ -662,6 +664,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="adsorbml.2023_neurips_challenge.challenge_eval.is_successful">
 <span class="sig-prename descclassname"><span class="pre">adsorbml.2023_neurips_challenge.challenge_eval.</span></span><span class="sig-name descname"><span class="pre">is_successful</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">best_pred_energy</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">best_dft_energy</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">SUCCESS_THRESHOLD</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.1</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful" title="Link to this definition">#</a></dt>
@@ -731,7 +737,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 and ML relaxed dft energy returns the success rate of your predictions.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -762,7 +767,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -781,16 +786,14 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.process_ml_data"><code class="docutils literal notranslate"><span class="pre">process_ml_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.process_ml_data"><code class="docutils literal notranslate"><span class="pre">process_ml_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.2023_neurips_challenge.challenge_eval.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -841,8 +844,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/adsorbml/scripts/dense_eval/index.html b/autoapi/adsorbml/scripts/dense_eval/index.html
index cb02cf2c2..be588c9ab 100644
--- a/autoapi/adsorbml/scripts/dense_eval/index.html
+++ b/autoapi/adsorbml/scripts/dense_eval/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
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+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,19 +617,17 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_hybrid_success"><code class="docutils literal notranslate"><span class="pre">compute_hybrid_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_compute"><code class="docutils literal notranslate"><span class="pre">get_dft_compute()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.filter_ml_data"><code class="docutils literal notranslate"><span class="pre">filter_ml_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_hybrid_success"><code class="docutils literal notranslate"><span class="pre">compute_hybrid_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_compute"><code class="docutils literal notranslate"><span class="pre">get_dft_compute()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.filter_ml_data"><code class="docutils literal notranslate"><span class="pre">filter_ml_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -638,7 +642,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-adsorbml.scripts.dense_eval">
-<span id="adsorbml-scripts-dense-eval"></span><h1><a class="reference internal" href="#module-adsorbml.scripts.dense_eval" title="adsorbml.scripts.dense_eval"><code class="xref py py-mod docutils literal notranslate"><span class="pre">adsorbml.scripts.dense_eval</span></code></a><a class="headerlink" href="#module-adsorbml.scripts.dense_eval" title="Link to this heading">#</a></h1>
+<span id="adsorbml-scripts-dense-eval"></span><h1>adsorbml.scripts.dense_eval<a class="headerlink" href="#module-adsorbml.scripts.dense_eval" title="Link to this heading">#</a></h1>
 <p>AdsorbML evaluation script. This script expects the results-file to be
 organized in a very specific structure in order to evaluate successfully.</p>
 <p>Results are to be saved out in a dictionary pickle file, where keys are the
@@ -713,11 +717,23 @@ <h2> Contents </h2>
 <p>}</p>
 </dd>
 </dl>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD" title="adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.dense_eval.parser" title="adsorbml.scripts.dense_eval.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.dense_eval.is_successful" title="adsorbml.scripts.dense_eval.is_successful"><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_successful</span></code></a>(best_ml_dft_energy, best_dft_energy)</p></td>
 <td><p>Computes the success rate given the best ML+DFT energy and the best ground</p></td>
@@ -739,19 +755,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD" title="adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.dense_eval.parser" title="adsorbml.scripts.dense_eval.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD">
 <span class="sig-prename descclassname"><span class="pre">adsorbml.scripts.dense_eval.</span></span><span class="sig-name descname"><span class="pre">SUCCESS_THRESHOLD</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">0.1</span></em><a class="headerlink" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD" title="Link to this definition">#</a></dt>
@@ -829,7 +836,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">adsorbml.scripts.dense_eval.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#adsorbml.scripts.dense_eval.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -860,7 +866,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -879,19 +885,17 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_hybrid_success"><code class="docutils literal notranslate"><span class="pre">compute_hybrid_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_compute"><code class="docutils literal notranslate"><span class="pre">get_dft_compute()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.filter_ml_data"><code class="docutils literal notranslate"><span class="pre">filter_ml_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.SUCCESS_THRESHOLD"><code class="docutils literal notranslate"><span class="pre">SUCCESS_THRESHOLD</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.is_successful"><code class="docutils literal notranslate"><span class="pre">is_successful()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_hybrid_success"><code class="docutils literal notranslate"><span class="pre">compute_hybrid_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.compute_valid_ml_success"><code class="docutils literal notranslate"><span class="pre">compute_valid_ml_success()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_data"><code class="docutils literal notranslate"><span class="pre">get_dft_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.get_dft_compute"><code class="docutils literal notranslate"><span class="pre">get_dft_compute()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.filter_ml_data"><code class="docutils literal notranslate"><span class="pre">filter_ml_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.dense_eval.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -942,8 +946,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/adsorbml/scripts/process_mlrs/index.html b/autoapi/adsorbml/scripts/process_mlrs/index.html
index 93644f7a8..f6e33c512 100644
--- a/autoapi/adsorbml/scripts/process_mlrs/index.html
+++ b/autoapi/adsorbml/scripts/process_mlrs/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
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     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 </ul>
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+</details></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
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+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../core/tasks/task/index.html">core.tasks.task</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../core/_cli/index.html">core._cli</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.process_mlrs"><code class="docutils literal notranslate"><span class="pre">process_mlrs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.process_mlrs"><code class="docutils literal notranslate"><span class="pre">process_mlrs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,7 +640,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-adsorbml.scripts.process_mlrs">
-<span id="adsorbml-scripts-process-mlrs"></span><h1><a class="reference internal" href="#module-adsorbml.scripts.process_mlrs" title="adsorbml.scripts.process_mlrs"><code class="xref py py-mod docutils literal notranslate"><span class="pre">adsorbml.scripts.process_mlrs</span></code></a><a class="headerlink" href="#module-adsorbml.scripts.process_mlrs" title="Link to this heading">#</a></h1>
+<span id="adsorbml-scripts-process-mlrs"></span><h1>adsorbml.scripts.process_mlrs<a class="headerlink" href="#module-adsorbml.scripts.process_mlrs" title="Link to this heading">#</a></h1>
 <p>This script processes ML relaxations and sets it up for the next step.
 - Reads final energy and structure for each relaxation
 - Filters out anomalies
@@ -657,39 +661,42 @@ <h2> Contents </h2>
 </li>
 <li><p>errors_by_sid.pkl: any errors that occurred</p></li>
 </ul>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.parse_args" title="adsorbml.scripts.process_mlrs.parse_args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parse_args</span></code></a>()</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER" title="adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.min_diff" title="adsorbml.scripts.process_mlrs.min_diff"><code class="xref py py-obj docutils literal notranslate"><span class="pre">min_diff</span></code></a>(atoms_init, atoms_final)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER" title="adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.process_mlrs" title="adsorbml.scripts.process_mlrs.process_mlrs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">process_mlrs</span></code></a>(arg)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.args" title="adsorbml.scripts.process_mlrs.args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">args</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER" title="adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.parse_args" title="adsorbml.scripts.process_mlrs.parse_args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parse_args</span></code></a>()</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER" title="adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.min_diff" title="adsorbml.scripts.process_mlrs.min_diff"><code class="xref py py-obj docutils literal notranslate"><span class="pre">min_diff</span></code></a>(atoms_init, atoms_final)</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.args" title="adsorbml.scripts.process_mlrs.args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">args</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.process_mlrs.process_mlrs" title="adsorbml.scripts.process_mlrs.process_mlrs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">process_mlrs</span></code></a>(arg)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER">
 <span class="sig-prename descclassname"><span class="pre">adsorbml.scripts.process_mlrs.</span></span><span class="sig-name descname"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">1.5</span></em><a class="headerlink" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER" title="Link to this definition">#</a></dt>
@@ -720,7 +727,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">adsorbml.scripts.process_mlrs.</span></span><span class="sig-name descname"><span class="pre">args</span></span><a class="headerlink" href="#adsorbml.scripts.process_mlrs.args" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -751,7 +757,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -770,17 +776,15 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.process_mlrs"><code class="docutils literal notranslate"><span class="pre">process_mlrs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.SURFACE_CHANGE_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">SURFACE_CHANGE_CUTOFF_MULTIPLIER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.DESORPTION_CUTOFF_MULTIPLIER"><code class="docutils literal notranslate"><span class="pre">DESORPTION_CUTOFF_MULTIPLIER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.process_mlrs"><code class="docutils literal notranslate"><span class="pre">process_mlrs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.process_mlrs.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -831,8 +835,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/adsorbml/scripts/utils/index.html b/autoapi/adsorbml/scripts/utils/index.html
index dd4006739..b4ebd1cd8 100644
--- a/autoapi/adsorbml/scripts/utils/index.html
+++ b/autoapi/adsorbml/scripts/utils/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
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     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../core/_cli/index.html">core._cli</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.converged_oszicar"><code class="docutils literal notranslate"><span class="pre">converged_oszicar()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.count_scf"><code class="docutils literal notranslate"><span class="pre">count_scf()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.converged_oszicar"><code class="docutils literal notranslate"><span class="pre">converged_oszicar()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.count_scf"><code class="docutils literal notranslate"><span class="pre">count_scf()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,12 +635,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-adsorbml.scripts.utils">
-<span id="adsorbml-scripts-utils"></span><h1><a class="reference internal" href="#module-adsorbml.scripts.utils" title="adsorbml.scripts.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">adsorbml.scripts.utils</span></code></a><a class="headerlink" href="#module-adsorbml.scripts.utils" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="adsorbml-scripts-utils"></span><h1>adsorbml.scripts.utils<a class="headerlink" href="#module-adsorbml.scripts.utils" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.utils.converged_oszicar" title="adsorbml.scripts.utils.converged_oszicar"><code class="xref py py-obj docutils literal notranslate"><span class="pre">converged_oszicar</span></code></a>(path[, nelm, ediff, idx])</p></td>
 <td><p>--- FOR VASP USERS ---</p></td>
@@ -646,6 +648,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="adsorbml.scripts.utils.converged_oszicar">
 <span class="sig-prename descclassname"><span class="pre">adsorbml.scripts.utils.</span></span><span class="sig-name descname"><span class="pre">converged_oszicar</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">path</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nelm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">60</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ediff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0001</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">idx</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#adsorbml.scripts.utils.converged_oszicar" title="Link to this definition">#</a></dt>
@@ -683,7 +689,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -714,7 +719,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -733,12 +738,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.converged_oszicar"><code class="docutils literal notranslate"><span class="pre">converged_oszicar()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.count_scf"><code class="docutils literal notranslate"><span class="pre">count_scf()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.converged_oszicar"><code class="docutils literal notranslate"><span class="pre">converged_oszicar()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.utils.count_scf"><code class="docutils literal notranslate"><span class="pre">count_scf()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -789,8 +792,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/adsorbml/scripts/write_top_k_vasp/index.html b/autoapi/adsorbml/scripts/write_top_k_vasp/index.html
index e98862d58..747c69ed6 100644
--- a/autoapi/adsorbml/scripts/write_top_k_vasp/index.html
+++ b/autoapi/adsorbml/scripts/write_top_k_vasp/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.write_top_k_vasp.VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">VASP_FLAGS</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.write_top_k_vasp.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
@@ -628,7 +635,21 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-adsorbml.scripts.write_top_k_vasp">
-<span id="adsorbml-scripts-write-top-k-vasp"></span><h1><a class="reference internal" href="#module-adsorbml.scripts.write_top_k_vasp" title="adsorbml.scripts.write_top_k_vasp"><code class="xref py py-mod docutils literal notranslate"><span class="pre">adsorbml.scripts.write_top_k_vasp</span></code></a><a class="headerlink" href="#module-adsorbml.scripts.write_top_k_vasp" title="Link to this heading">#</a></h1>
+<span id="adsorbml-scripts-write-top-k-vasp"></span><h1>adsorbml.scripts.write_top_k_vasp<a class="headerlink" href="#module-adsorbml.scripts.write_top_k_vasp" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#adsorbml.scripts.write_top_k_vasp.VASP_FLAGS" title="adsorbml.scripts.write_top_k_vasp.VASP_FLAGS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">VASP_FLAGS</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#adsorbml.scripts.write_top_k_vasp.parser" title="adsorbml.scripts.write_top_k_vasp.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -671,7 +692,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -690,6 +711,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.write_top_k_vasp.VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">VASP_FLAGS</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbml.scripts.write_top_k_vasp.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
@@ -743,8 +765,8 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/cattsunami/core/autoframe/index.html b/autoapi/cattsunami/core/autoframe/index.html
index 9c0adc917..8b2f02d7a 100644
--- a/autoapi/cattsunami/core/autoframe/index.html
+++ b/autoapi/cattsunami/core/autoframe/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
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     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../../core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../../core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../../core/common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../../../core/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../core/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
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 </ul>
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-<li class="toctree-l3"><a class="reference internal" href="../../../data/odac/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.odac</span></code></a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
 </ul>
-</li>
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l4 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html">cattsunami</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">cattsunami.core</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,47 +617,45 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame"><code class="docutils literal notranslate"><span class="pre">AutoFrame</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.reorder_adsorbate"><code class="docutils literal notranslate"><span class="pre">AutoFrame.reorder_adsorbate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.only_keep_unique_systems"><code class="docutils literal notranslate"><span class="pre">AutoFrame.only_keep_unique_systems()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.get_most_proximate_symmetric_group"><code class="docutils literal notranslate"><span class="pre">AutoFrame.get_most_proximate_symmetric_group()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.are_all_adsorbate_atoms_overlapping"><code class="docutils literal notranslate"><span class="pre">AutoFrame.are_all_adsorbate_atoms_overlapping()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_neb_frames()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_sites_for_product1"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_sites_for_product1()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_unique_sites_for_product2"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_unique_sites_for_product2()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_sites_within_r"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_sites_within_r()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame"><code class="docutils literal notranslate"><span class="pre">AutoFrame</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.reorder_adsorbate"><code class="docutils literal notranslate"><span class="pre">AutoFrame.reorder_adsorbate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.only_keep_unique_systems"><code class="docutils literal notranslate"><span class="pre">AutoFrame.only_keep_unique_systems()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.get_most_proximate_symmetric_group"><code class="docutils literal notranslate"><span class="pre">AutoFrame.get_most_proximate_symmetric_group()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.are_all_adsorbate_atoms_overlapping"><code class="docutils literal notranslate"><span class="pre">AutoFrame.are_all_adsorbate_atoms_overlapping()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_neb_frames()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_initial"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_initial()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_final"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_final()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_neb_frames()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_sites_for_product1"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_sites_for_product1()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_unique_sites_for_product2"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_unique_sites_for_product2()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_sites_within_r"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_sites_within_r()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption.get_neb_frames()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_neb_frames()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_initial"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_initial()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_final"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_final()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate_and_correct_frames"><code class="docutils literal notranslate"><span class="pre">interpolate_and_correct_frames()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_shortest_path"><code class="docutils literal notranslate"><span class="pre">get_shortest_path()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_transfer"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_transfer()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_dissociation"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_dissociation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_desorption"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_desorption()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_product2_idx"><code class="docutils literal notranslate"><span class="pre">get_product2_idx()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_general"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_general()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.unwrap_atoms"><code class="docutils literal notranslate"><span class="pre">unwrap_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate"><code class="docutils literal notranslate"><span class="pre">interpolate()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_edge_list_respected"><code class="docutils literal notranslate"><span class="pre">is_edge_list_respected()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.reorder_edge_list"><code class="docutils literal notranslate"><span class="pre">reorder_edge_list()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_adsorbate_adsorbed"><code class="docutils literal notranslate"><span class="pre">is_adsorbate_adsorbed()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption.get_neb_frames()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate_and_correct_frames"><code class="docutils literal notranslate"><span class="pre">interpolate_and_correct_frames()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_shortest_path"><code class="docutils literal notranslate"><span class="pre">get_shortest_path()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_transfer"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_transfer()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_dissociation"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_dissociation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_desorption"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_desorption()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_product2_idx"><code class="docutils literal notranslate"><span class="pre">get_product2_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_general"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_general()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.unwrap_atoms"><code class="docutils literal notranslate"><span class="pre">unwrap_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate"><code class="docutils literal notranslate"><span class="pre">interpolate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_edge_list_respected"><code class="docutils literal notranslate"><span class="pre">is_edge_list_respected()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.reorder_edge_list"><code class="docutils literal notranslate"><span class="pre">reorder_edge_list()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_adsorbate_adsorbed"><code class="docutils literal notranslate"><span class="pre">is_adsorbate_adsorbed()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -666,14 +670,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.core.autoframe">
-<span id="cattsunami-core-autoframe"></span><h1><a class="reference internal" href="#module-cattsunami.core.autoframe" title="cattsunami.core.autoframe"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a><a class="headerlink" href="#module-cattsunami.core.autoframe" title="Link to this heading">#</a></h1>
+<span id="cattsunami-core-autoframe"></span><h1>cattsunami.core.autoframe<a class="headerlink" href="#module-cattsunami.core.autoframe" title="Link to this heading">#</a></h1>
 <p>Home of the AutoFrame classes which facillitate the generation of initial
 and final frames for NEB calculations.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.core.autoframe.AutoFrame" title="cattsunami.core.autoframe.AutoFrame"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AutoFrame</span></code></a></p></td>
 <td><p>Base class to hold functions that are shared across the reaction types.</p></td>
@@ -689,10 +691,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.core.autoframe.interpolate_and_correct_frames" title="cattsunami.core.autoframe.interpolate_and_correct_frames"><code class="xref py py-obj docutils literal notranslate"><span class="pre">interpolate_and_correct_frames</span></code></a>(initial, final, ...)</p></td>
 <td><p>Given the initial and final frames, perform the following:</p></td>
@@ -732,6 +735,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="cattsunami.core.autoframe.AutoFrame">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">cattsunami.core.autoframe.</span></span><span class="sig-name descname"><span class="pre">AutoFrame</span></span><a class="headerlink" href="#cattsunami.core.autoframe.AutoFrame" title="Link to this definition">#</a></dt>
@@ -1338,7 +1345,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1369,7 +1375,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1378,7 +1384,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></p>
+        <p class="prev-next-title">cattsunami.core</p>
       </div>
     </a>
     <a class="right-next"
@@ -1386,7 +1392,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></p>
+        <p class="prev-next-title">cattsunami.core.ocpneb</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1406,47 +1412,45 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame"><code class="docutils literal notranslate"><span class="pre">AutoFrame</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.reorder_adsorbate"><code class="docutils literal notranslate"><span class="pre">AutoFrame.reorder_adsorbate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.only_keep_unique_systems"><code class="docutils literal notranslate"><span class="pre">AutoFrame.only_keep_unique_systems()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.get_most_proximate_symmetric_group"><code class="docutils literal notranslate"><span class="pre">AutoFrame.get_most_proximate_symmetric_group()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.are_all_adsorbate_atoms_overlapping"><code class="docutils literal notranslate"><span class="pre">AutoFrame.are_all_adsorbate_atoms_overlapping()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_neb_frames()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_sites_for_product1"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_sites_for_product1()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_unique_sites_for_product2"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_unique_sites_for_product2()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_sites_within_r"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_sites_within_r()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame"><code class="docutils literal notranslate"><span class="pre">AutoFrame</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.reorder_adsorbate"><code class="docutils literal notranslate"><span class="pre">AutoFrame.reorder_adsorbate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.only_keep_unique_systems"><code class="docutils literal notranslate"><span class="pre">AutoFrame.only_keep_unique_systems()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.get_most_proximate_symmetric_group"><code class="docutils literal notranslate"><span class="pre">AutoFrame.get_most_proximate_symmetric_group()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrame.are_all_adsorbate_atoms_overlapping"><code class="docutils literal notranslate"><span class="pre">AutoFrame.are_all_adsorbate_atoms_overlapping()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_neb_frames()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_initial"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_initial()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_final"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_final()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_neb_frames()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_sites_for_product1"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_sites_for_product1()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_best_unique_sites_for_product2"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_best_unique_sites_for_product2()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDissociation.get_sites_within_r"><code class="docutils literal notranslate"><span class="pre">AutoFrameDissociation.get_sites_within_r()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption.get_neb_frames()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_neb_frames()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_initial"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_initial()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameTransfer.get_system_pairs_final"><code class="docutils literal notranslate"><span class="pre">AutoFrameTransfer.get_system_pairs_final()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate_and_correct_frames"><code class="docutils literal notranslate"><span class="pre">interpolate_and_correct_frames()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_shortest_path"><code class="docutils literal notranslate"><span class="pre">get_shortest_path()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_transfer"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_transfer()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_dissociation"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_dissociation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_desorption"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_desorption()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_product2_idx"><code class="docutils literal notranslate"><span class="pre">get_product2_idx()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_general"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_general()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.unwrap_atoms"><code class="docutils literal notranslate"><span class="pre">unwrap_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate"><code class="docutils literal notranslate"><span class="pre">interpolate()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_edge_list_respected"><code class="docutils literal notranslate"><span class="pre">is_edge_list_respected()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.reorder_edge_list"><code class="docutils literal notranslate"><span class="pre">reorder_edge_list()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_adsorbate_adsorbed"><code class="docutils literal notranslate"><span class="pre">is_adsorbate_adsorbed()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.AutoFrameDesorption.get_neb_frames"><code class="docutils literal notranslate"><span class="pre">AutoFrameDesorption.get_neb_frames()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate_and_correct_frames"><code class="docutils literal notranslate"><span class="pre">interpolate_and_correct_frames()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_shortest_path"><code class="docutils literal notranslate"><span class="pre">get_shortest_path()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_transfer"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_transfer()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_dissociation"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_dissociation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_desorption"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_desorption()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.get_product2_idx"><code class="docutils literal notranslate"><span class="pre">get_product2_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.traverse_adsorbate_general"><code class="docutils literal notranslate"><span class="pre">traverse_adsorbate_general()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.unwrap_atoms"><code class="docutils literal notranslate"><span class="pre">unwrap_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.interpolate"><code class="docutils literal notranslate"><span class="pre">interpolate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_edge_list_respected"><code class="docutils literal notranslate"><span class="pre">is_edge_list_respected()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.reorder_edge_list"><code class="docutils literal notranslate"><span class="pre">reorder_edge_list()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.autoframe.is_adsorbate_adsorbed"><code class="docutils literal notranslate"><span class="pre">is_adsorbate_adsorbed()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1497,8 +1501,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/cattsunami/core/index.html b/autoapi/cattsunami/core/index.html
index 714ca20a5..9e53b09d8 100644
--- a/autoapi/cattsunami/core/index.html
+++ b/autoapi/cattsunami/core/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../index.html">cattsunami</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 current active has-children"><a class="current reference internal" href="#">cattsunami.core</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,19 +618,17 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,22 +645,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.core">
-<span id="cattsunami-core"></span><h1><a class="reference internal" href="#module-cattsunami.core" title="cattsunami.core"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><a class="headerlink" href="#module-cattsunami.core" title="Link to this heading">#</a></h1>
+<span id="cattsunami-core"></span><h1>cattsunami.core<a class="headerlink" href="#module-cattsunami.core" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l1"><a class="reference internal" href="ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l1"><a class="reference internal" href="reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.core.Reaction" title="cattsunami.core.Reaction"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Reaction</span></code></a></p></td>
 <td><p>Initialize Reaction object</p></td>
@@ -666,6 +668,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="cattsunami.core.Reaction">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">cattsunami.core.</span></span><span class="sig-name descname"><span class="pre">Reaction</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">reaction_db_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_db_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">reaction_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">reaction_str_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">reaction_type</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#cattsunami.core.Reaction" title="Link to this definition">#</a></dt>
@@ -712,7 +718,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -743,7 +748,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -752,7 +757,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></p>
+        <p class="prev-next-title">cattsunami</p>
       </div>
     </a>
     <a class="right-next"
@@ -760,7 +765,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></p>
+        <p class="prev-next-title">cattsunami.core.autoframe</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -781,19 +786,17 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
 </ul>
 </li>
 </ul>
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diff --git a/autoapi/cattsunami/core/ocpneb/index.html b/autoapi/cattsunami/core/ocpneb/index.html
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
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+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
 </ul>
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-</li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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@@ -583,14 +589,14 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,18 +640,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.core.ocpneb">
-<span id="cattsunami-core-ocpneb"></span><h1><a class="reference internal" href="#module-cattsunami.core.ocpneb" title="cattsunami.core.ocpneb"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a><a class="headerlink" href="#module-cattsunami.core.ocpneb" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="cattsunami-core-ocpneb"></span><h1>cattsunami.core.ocpneb<a class="headerlink" href="#module-cattsunami.core.ocpneb" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.core.ocpneb.OCPNEB" title="cattsunami.core.ocpneb.OCPNEB"><code class="xref py py-obj docutils literal notranslate"><span class="pre">OCPNEB</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="cattsunami.core.ocpneb.OCPNEB">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">cattsunami.core.ocpneb.</span></span><span class="sig-name descname"><span class="pre">OCPNEB</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">images</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">checkpoint_path</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">k</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">fmax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">climb</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">parallel</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">remove_rotation_and_translation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">world</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dynamic_relaxation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_fmax</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">method</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'aseneb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">allow_shared_calculator</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">precon</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">batch_size</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">4</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#cattsunami.core.ocpneb.OCPNEB" title="Link to this definition">#</a></dt>
@@ -682,7 +688,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -713,7 +718,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -722,7 +727,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></p>
+        <p class="prev-next-title">cattsunami.core.autoframe</p>
       </div>
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     <a class="right-next"
@@ -730,7 +735,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></p>
+        <p class="prev-next-title">cattsunami.core.reaction</p>
       </div>
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     </a>
@@ -750,15 +755,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB"><code class="docutils literal notranslate"><span class="pre">OCPNEB</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPNEB.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.set_positions"><code class="docutils literal notranslate"><span class="pre">OCPNEB.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.ocpneb.OCPNEB.get_precon_forces"><code class="docutils literal notranslate"><span class="pre">OCPNEB.get_precon_forces()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -811,8 +814,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
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diff --git a/autoapi/cattsunami/core/reaction/index.html b/autoapi/cattsunami/core/reaction/index.html
index 3d5df3547..073c0a3b5 100644
--- a/autoapi/cattsunami/core/reaction/index.html
+++ b/autoapi/cattsunami/core/reaction/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
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-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html">cattsunami</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">cattsunami.core</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,18 +637,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.core.reaction">
-<span id="cattsunami-core-reaction"></span><h1><a class="reference internal" href="#module-cattsunami.core.reaction" title="cattsunami.core.reaction"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a><a class="headerlink" href="#module-cattsunami.core.reaction" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="cattsunami-core-reaction"></span><h1>cattsunami.core.reaction<a class="headerlink" href="#module-cattsunami.core.reaction" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.core.reaction.Reaction" title="cattsunami.core.reaction.Reaction"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Reaction</span></code></a></p></td>
 <td><p>Initialize Reaction object</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="cattsunami.core.reaction.Reaction">
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@@ -657,7 +663,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction"><code class="docutils literal notranslate"><span class="pre">Reaction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.core.reaction.Reaction.get_desorption_mapping"><code class="docutils literal notranslate"><span class="pre">Reaction.get_desorption_mapping()</span></code></a></li>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
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+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
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+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../index.html">cattsunami</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 current active"><a class="current reference internal" href="#">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.databases.DISSOCIATION_REACTION_DB_PATH"><code class="docutils literal notranslate"><span class="pre">DISSOCIATION_REACTION_DB_PATH</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.databases.DESORPTION_REACTION_DB_PATH"><code class="docutils literal notranslate"><span class="pre">DESORPTION_REACTION_DB_PATH</span></code></a></li>
@@ -629,7 +636,24 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.databases">
-<span id="cattsunami-databases"></span><h1><a class="reference internal" href="#module-cattsunami.databases" title="cattsunami.databases"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a><a class="headerlink" href="#module-cattsunami.databases" title="Link to this heading">#</a></h1>
+<span id="cattsunami-databases"></span><h1>cattsunami.databases<a class="headerlink" href="#module-cattsunami.databases" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.databases.DISSOCIATION_REACTION_DB_PATH" title="cattsunami.databases.DISSOCIATION_REACTION_DB_PATH"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DISSOCIATION_REACTION_DB_PATH</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#cattsunami.databases.DESORPTION_REACTION_DB_PATH" title="cattsunami.databases.DESORPTION_REACTION_DB_PATH"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DESORPTION_REACTION_DB_PATH</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.databases.TRANSFER_REACTION_DB_PATH" title="cattsunami.databases.TRANSFER_REACTION_DB_PATH"><code class="xref py py-obj docutils literal notranslate"><span class="pre">TRANSFER_REACTION_DB_PATH</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="package-contents">
 <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -677,7 +701,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -686,15 +710,15 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></p>
+        <p class="prev-next-title">cattsunami.core.reaction</p>
       </div>
     </a>
     <a class="right-next"
-       href="../../ocpapi/index.html"
+       href="../../../execution_time.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></p>
+        <p class="prev-next-title">Notebook execution times</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -714,6 +738,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.databases.DISSOCIATION_REACTION_DB_PATH"><code class="docutils literal notranslate"><span class="pre">DISSOCIATION_REACTION_DB_PATH</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.databases.DESORPTION_REACTION_DB_PATH"><code class="docutils literal notranslate"><span class="pre">DESORPTION_REACTION_DB_PATH</span></code></a></li>
@@ -768,8 +793,8 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/cattsunami/index.html b/autoapi/cattsunami/index.html
index 0c935e149..082ed45f2 100644
--- a/autoapi/cattsunami/index.html
+++ b/autoapi/cattsunami/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
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-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -62,7 +62,7 @@
     <link rel="index" title="Index" href="../../genindex.html" />
     <link rel="search" title="Search" href="../../search.html" />
     <link rel="next" title="cattsunami.core" href="core/index.html" />
-    <link rel="prev" title="data.om" href="../data/om/index.html" />
+    <link rel="prev" title="ocpapi.version" href="../ocpapi/version/index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
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-<li class="toctree-l4"><a class="reference internal" href="core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l2 has-children"><a class="reference internal" href="../core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/utils/index.html">core.common.utils</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/models/index.html">core.models</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/escn/index.html">core.models.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="current reference internal" href="#">cattsunami</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,6 +618,7 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
 </ul>
@@ -628,7 +635,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami">
-<span id="cattsunami"></span><h1><a class="reference internal" href="#module-cattsunami" title="cattsunami"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><a class="headerlink" href="#module-cattsunami" title="Link to this heading">#</a></h1>
+<span id="cattsunami"></span><h1>cattsunami<a class="headerlink" href="#module-cattsunami" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -636,16 +643,22 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="core/index.html">cattsunami.core</a></li>
+<li class="toctree-l1"><a class="reference internal" href="databases/index.html">cattsunami.databases</a></li>
 </ul>
 </div>
 </section>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.__version__" title="cattsunami.__version__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__version__</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="package-contents">
 <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -683,16 +696,16 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="../data/om/index.html"
+       href="../ocpapi/version/index.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></p>
+        <p class="prev-next-title">ocpapi.version</p>
       </div>
     </a>
     <a class="right-next"
@@ -700,7 +713,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></p>
+        <p class="prev-next-title">cattsunami.core</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -721,6 +734,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
 </ul>
@@ -773,8 +787,8 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
   </div>
   
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-<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/cattsunami/run_validation/run_validation/index.html b/autoapi/cattsunami/run_validation/run_validation/index.html
index f5f6e7aba..209abbb98 100644
--- a/autoapi/cattsunami/run_validation/run_validation/index.html
+++ b/autoapi/cattsunami/run_validation/run_validation/index.html
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_sp"><code class="docutils literal notranslate"><span class="pre">get_results_sp()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_ml"><code class="docutils literal notranslate"><span class="pre">get_results_ml()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.all_converged"><code class="docutils literal notranslate"><span class="pre">all_converged()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barrierless"><code class="docutils literal notranslate"><span class="pre">both_barrierless()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barriered"><code class="docutils literal notranslate"><span class="pre">both_barriered()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.barrierless_converged"><code class="docutils literal notranslate"><span class="pre">barrierless_converged()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.is_failed_sp"><code class="docutils literal notranslate"><span class="pre">is_failed_sp()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parse_neb_info"><code class="docutils literal notranslate"><span class="pre">parse_neb_info()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_single_point"><code class="docutils literal notranslate"><span class="pre">get_single_point()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_sp"><code class="docutils literal notranslate"><span class="pre">get_results_sp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_ml"><code class="docutils literal notranslate"><span class="pre">get_results_ml()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.all_converged"><code class="docutils literal notranslate"><span class="pre">all_converged()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barrierless"><code class="docutils literal notranslate"><span class="pre">both_barrierless()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barriered"><code class="docutils literal notranslate"><span class="pre">both_barriered()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.barrierless_converged"><code class="docutils literal notranslate"><span class="pre">barrierless_converged()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.is_failed_sp"><code class="docutils literal notranslate"><span class="pre">is_failed_sp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parse_neb_info"><code class="docutils literal notranslate"><span class="pre">parse_neb_info()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_single_point"><code class="docutils literal notranslate"><span class="pre">get_single_point()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -640,14 +644,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-cattsunami.run_validation.run_validation">
-<span id="cattsunami-run-validation-run-validation"></span><h1><a class="reference internal" href="#module-cattsunami.run_validation.run_validation" title="cattsunami.run_validation.run_validation"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.run_validation.run_validation</span></code></a><a class="headerlink" href="#module-cattsunami.run_validation.run_validation" title="Link to this heading">#</a></h1>
+<span id="cattsunami-run-validation-run-validation"></span><h1>cattsunami.run_validation.run_validation<a class="headerlink" href="#module-cattsunami.run_validation.run_validation" title="Link to this heading">#</a></h1>
 <p>A python script to run a validation of the ML NEB model on a set of NEB calculations.
 This script has not been written to run in parallel, but should be modified to do so.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.run_validation.run_validation.parser" title="cattsunami.run_validation.run_validation.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.run_validation.run_validation.get_results_sp" title="cattsunami.run_validation.run_validation.get_results_sp"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_results_sp</span></code></a>(df2)</p></td>
 <td><p>Get the % success and % convergence for the model considered with</p></td>
@@ -678,16 +691,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#cattsunami.run_validation.run_validation.parser" title="cattsunami.run_validation.run_validation.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="cattsunami.run_validation.run_validation.get_results_sp">
 <span class="sig-prename descclassname"><span class="pre">cattsunami.run_validation.run_validation.</span></span><span class="sig-name descname"><span class="pre">get_results_sp</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">df2</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">pandas.DataFrame</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#cattsunami.run_validation.run_validation.get_results_sp" title="Link to this definition">#</a></dt>
@@ -871,7 +878,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">cattsunami.run_validation.run_validation.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#cattsunami.run_validation.run_validation.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -902,7 +908,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -921,21 +927,19 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_sp"><code class="docutils literal notranslate"><span class="pre">get_results_sp()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_ml"><code class="docutils literal notranslate"><span class="pre">get_results_ml()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.all_converged"><code class="docutils literal notranslate"><span class="pre">all_converged()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barrierless"><code class="docutils literal notranslate"><span class="pre">both_barrierless()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barriered"><code class="docutils literal notranslate"><span class="pre">both_barriered()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.barrierless_converged"><code class="docutils literal notranslate"><span class="pre">barrierless_converged()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.is_failed_sp"><code class="docutils literal notranslate"><span class="pre">is_failed_sp()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parse_neb_info"><code class="docutils literal notranslate"><span class="pre">parse_neb_info()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_single_point"><code class="docutils literal notranslate"><span class="pre">get_single_point()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_sp"><code class="docutils literal notranslate"><span class="pre">get_results_sp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_results_ml"><code class="docutils literal notranslate"><span class="pre">get_results_ml()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.all_converged"><code class="docutils literal notranslate"><span class="pre">all_converged()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barrierless"><code class="docutils literal notranslate"><span class="pre">both_barrierless()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.both_barriered"><code class="docutils literal notranslate"><span class="pre">both_barriered()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.barrierless_converged"><code class="docutils literal notranslate"><span class="pre">barrierless_converged()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.is_failed_sp"><code class="docutils literal notranslate"><span class="pre">is_failed_sp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parse_neb_info"><code class="docutils literal notranslate"><span class="pre">parse_neb_info()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.get_single_point"><code class="docutils literal notranslate"><span class="pre">get_single_point()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cattsunami.run_validation.run_validation.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -986,8 +990,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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diff --git a/autoapi/core/_cli/index.html b/autoapi/core/_cli/index.html
index d784a58a8..4750be6da 100644
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+++ b/autoapi/core/_cli/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,17 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner"><code class="docutils literal notranslate"><span class="pre">Runner</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.__call__"><code class="docutils literal notranslate"><span class="pre">Runner.__call__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.checkpoint"><code class="docutils literal notranslate"><span class="pre">Runner.checkpoint()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner"><code class="docutils literal notranslate"><span class="pre">Runner</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.__call__"><code class="docutils literal notranslate"><span class="pre">Runner.__call__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.checkpoint"><code class="docutils literal notranslate"><span class="pre">Runner.checkpoint()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.runner_wrapper"><code class="docutils literal notranslate"><span class="pre">runner_wrapper()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,31 +641,37 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core._cli">
-<span id="core-cli"></span><h1><a class="reference internal" href="#module-core._cli" title="core._cli"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a><a class="headerlink" href="#module-core._cli" title="Link to this heading">#</a></h1>
+<span id="core-cli"></span><h1>core._cli<a class="headerlink" href="#module-core._cli" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Facebook, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core._cli.Runner" title="core._cli.Runner"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Runner</span></code></a></p></td>
 <td><p>Derived callable classes are requeued after timeout with their current</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core._cli.main" title="core._cli.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>()</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core._cli.runner_wrapper" title="core._cli.runner_wrapper"><code class="xref py py-obj docutils literal notranslate"><span class="pre">runner_wrapper</span></code></a>(distributed, config)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core._cli.main" title="core._cli.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>()</p></td>
 <td><p>Run the main fairchem program.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core._cli.Runner">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core._cli.</span></span><span class="sig-name descname"><span class="pre">Runner</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">distributed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core._cli.Runner" title="Link to this definition">#</a></dt>
@@ -688,13 +699,17 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
+<dl class="py function">
+<dt class="sig sig-object py" id="core._cli.runner_wrapper">
+<span class="sig-prename descclassname"><span class="pre">core._cli.</span></span><span class="sig-name descname"><span class="pre">runner_wrapper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">distributed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">config</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core._cli.runner_wrapper" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py function">
 <dt class="sig sig-object py" id="core._cli.main">
 <span class="sig-prename descclassname"><span class="pre">core._cli.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#core._cli.main" title="Link to this definition">#</a></dt>
 <dd><p>Run the main fairchem program.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -725,7 +740,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -734,7 +749,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></p>
+        <p class="prev-next-title">core.trainers.ocp_trainer</p>
       </div>
     </a>
     <a class="right-next"
@@ -742,7 +757,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></p>
+        <p class="prev-next-title">data</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -762,17 +777,16 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner"><code class="docutils literal notranslate"><span class="pre">Runner</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.__call__"><code class="docutils literal notranslate"><span class="pre">Runner.__call__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.checkpoint"><code class="docutils literal notranslate"><span class="pre">Runner.checkpoint()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner"><code class="docutils literal notranslate"><span class="pre">Runner</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.__call__"><code class="docutils literal notranslate"><span class="pre">Runner.__call__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.Runner.checkpoint"><code class="docutils literal notranslate"><span class="pre">Runner.checkpoint()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.runner_wrapper"><code class="docutils literal notranslate"><span class="pre">runner_wrapper()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core._cli.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -823,8 +837,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/common/data_parallel/index.html b/autoapi/core/common/data_parallel/index.html
index f104a730b..66498493c 100644
--- a/autoapi/core/common/data_parallel/index.html
+++ b/autoapi/core/common/data_parallel/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
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     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,30 +617,28 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater"><code class="docutils literal notranslate"><span class="pre">OCPCollater</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater.__call__"><code class="docutils literal notranslate"><span class="pre">OCPCollater.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.balanced_partition"><code class="docutils literal notranslate"><span class="pre">balanced_partition()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata"><code class="docutils literal notranslate"><span class="pre">_HasMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata.metadata_path"><code class="docutils literal notranslate"><span class="pre">_HasMetadata.metadata_path</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater"><code class="docutils literal notranslate"><span class="pre">OCPCollater</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater.__call__"><code class="docutils literal notranslate"><span class="pre">OCPCollater.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.__iter__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.set_epoch_and_start_iteration()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.balanced_partition"><code class="docutils literal notranslate"><span class="pre">balanced_partition()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata"><code class="docutils literal notranslate"><span class="pre">_HasMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata.metadata_path"><code class="docutils literal notranslate"><span class="pre">_HasMetadata.metadata_path</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler._load_dataset"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler._load_dataset()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__len__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.set_epoch_and_start_iteration()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__iter__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.__iter__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.set_epoch_and_start_iteration()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler._load_dataset"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler._load_dataset()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__len__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.set_epoch_and_start_iteration()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__iter__()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -651,15 +655,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.data_parallel">
-<span id="core-common-data-parallel"></span><h1><a class="reference internal" href="#module-core.common.data_parallel" title="core.common.data_parallel"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></a><a class="headerlink" href="#module-core.common.data_parallel" title="Link to this heading">#</a></h1>
+<span id="core-common-data-parallel"></span><h1>core.common.data_parallel<a class="headerlink" href="#module-core.common.data_parallel" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.data_parallel.OCPCollater" title="core.common.data_parallel.OCPCollater"><code class="xref py py-obj docutils literal notranslate"><span class="pre">OCPCollater</span></code></a></p></td>
 <td><p></p></td>
@@ -675,16 +677,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.data_parallel.balanced_partition" title="core.common.data_parallel.balanced_partition"><code class="xref py py-obj docutils literal notranslate"><span class="pre">balanced_partition</span></code></a>(sizes, num_parts)</p></td>
 <td><p>Greedily partition the given set by always inserting</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.data_parallel.OCPCollater">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.data_parallel.</span></span><span class="sig-name descname"><span class="pre">OCPCollater</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.data_parallel.OCPCollater" title="Link to this definition">#</a></dt>
@@ -765,7 +772,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.data_parallel.BalancedBatchSampler">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.data_parallel.</span></span><span class="sig-name descname"><span class="pre">BalancedBatchSampler</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">batch_size</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_replicas</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.device</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'atoms'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">shuffle</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_last</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">force_balancing</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">throw_on_error</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.data_parallel.BalancedBatchSampler" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.data_parallel.</span></span><span class="sig-name descname"><span class="pre">BalancedBatchSampler</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">batch_size</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_replicas</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.device</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'atoms'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">shuffle</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_last</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">force_balancing</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">throw_on_error</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.data_parallel.BalancedBatchSampler" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">torch.utils.data.Sampler</span></code></p>
 <p>Base class for all Samplers.</p>
 <p>Every Sampler subclass has to provide an <a class="reference internal" href="#core.common.data_parallel.BalancedBatchSampler.__iter__" title="core.common.data_parallel.BalancedBatchSampler.__iter__"><code class="xref py py-meth docutils literal notranslate"><span class="pre">__iter__()</span></code></a> method, providing a
@@ -812,7 +819,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </div>
 <dl class="py method">
 <dt class="sig sig-object py" id="core.common.data_parallel.BalancedBatchSampler._load_dataset">
-<span class="sig-name descname"><span class="pre">_load_dataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Literal</span><span class="p"><span class="pre">[</span></span><span class="pre">atoms</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">neighbors</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.data_parallel.BalancedBatchSampler._load_dataset" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">_load_dataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Literal</span><span class="p"><span class="pre">[</span></span><span class="s"><span class="pre">'atoms'</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="s"><span class="pre">'neighbors'</span></span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.data_parallel.BalancedBatchSampler._load_dataset" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py method">
@@ -832,7 +839,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -863,7 +869,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -872,7 +878,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ml_relaxation</span></code></p>
+        <p class="prev-next-title">core.common.relaxation.ml_relaxation</p>
       </div>
     </a>
     <a class="right-next"
@@ -880,7 +886,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></p>
+        <p class="prev-next-title">core.common.distutils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -900,30 +906,28 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater"><code class="docutils literal notranslate"><span class="pre">OCPCollater</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater.__call__"><code class="docutils literal notranslate"><span class="pre">OCPCollater.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.balanced_partition"><code class="docutils literal notranslate"><span class="pre">balanced_partition()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata"><code class="docutils literal notranslate"><span class="pre">_HasMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata.metadata_path"><code class="docutils literal notranslate"><span class="pre">_HasMetadata.metadata_path</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater"><code class="docutils literal notranslate"><span class="pre">OCPCollater</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.OCPCollater.__call__"><code class="docutils literal notranslate"><span class="pre">OCPCollater.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.__iter__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.set_epoch_and_start_iteration()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.balanced_partition"><code class="docutils literal notranslate"><span class="pre">balanced_partition()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata"><code class="docutils literal notranslate"><span class="pre">_HasMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel._HasMetadata.metadata_path"><code class="docutils literal notranslate"><span class="pre">_HasMetadata.metadata_path</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.StatefulDistributedSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">StatefulDistributedSampler.__iter__()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler._load_dataset"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler._load_dataset()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__len__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.set_epoch_and_start_iteration"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.set_epoch_and_start_iteration()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.data_parallel.BalancedBatchSampler.__iter__"><code class="docutils literal notranslate"><span class="pre">BalancedBatchSampler.__iter__()</span></code></a></li>
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@@ -976,8 +980,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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 </form></div>
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+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,24 +617,22 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.T"><code class="docutils literal notranslate"><span class="pre">T</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.os_environ_get_or_throw"><code class="docutils literal notranslate"><span class="pre">os_environ_get_or_throw()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.setup"><code class="docutils literal notranslate"><span class="pre">setup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_rank"><code class="docutils literal notranslate"><span class="pre">get_rank()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_world_size"><code class="docutils literal notranslate"><span class="pre">get_world_size()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.is_master"><code class="docutils literal notranslate"><span class="pre">is_master()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.synchronize"><code class="docutils literal notranslate"><span class="pre">synchronize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.broadcast"><code class="docutils literal notranslate"><span class="pre">broadcast()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_reduce"><code class="docutils literal notranslate"><span class="pre">all_reduce()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_gather"><code class="docutils literal notranslate"><span class="pre">all_gather()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.gather_objects"><code class="docutils literal notranslate"><span class="pre">gather_objects()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.T"><code class="docutils literal notranslate"><span class="pre">T</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.os_environ_get_or_throw"><code class="docutils literal notranslate"><span class="pre">os_environ_get_or_throw()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.setup"><code class="docutils literal notranslate"><span class="pre">setup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_rank"><code class="docutils literal notranslate"><span class="pre">get_rank()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_world_size"><code class="docutils literal notranslate"><span class="pre">get_world_size()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.is_master"><code class="docutils literal notranslate"><span class="pre">is_master()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.synchronize"><code class="docutils literal notranslate"><span class="pre">synchronize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.broadcast"><code class="docutils literal notranslate"><span class="pre">broadcast()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_reduce"><code class="docutils literal notranslate"><span class="pre">all_reduce()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_gather"><code class="docutils literal notranslate"><span class="pre">all_gather()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.gather_objects"><code class="docutils literal notranslate"><span class="pre">gather_objects()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -643,15 +647,24 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.distutils">
-<span id="core-common-distutils"></span><h1><a class="reference internal" href="#module-core.common.distutils" title="core.common.distutils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a><a class="headerlink" href="#module-core.common.distutils" title="Link to this heading">#</a></h1>
+<span id="core-common-distutils"></span><h1>core.common.distutils<a class="headerlink" href="#module-core.common.distutils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.distutils.T" title="core.common.distutils.T"><code class="xref py py-obj docutils literal notranslate"><span class="pre">T</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.distutils.os_environ_get_or_throw" title="core.common.distutils.os_environ_get_or_throw"><code class="xref py py-obj docutils literal notranslate"><span class="pre">os_environ_get_or_throw</span></code></a>(→ str)</p></td>
 <td><p></p></td>
@@ -691,16 +704,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.distutils.T" title="core.common.distutils.T"><code class="xref py py-obj docutils literal notranslate"><span class="pre">T</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.common.distutils.T">
 <span class="sig-prename descclassname"><span class="pre">core.common.distutils.</span></span><span class="sig-name descname"><span class="pre">T</span></span><a class="headerlink" href="#core.common.distutils.T" title="Link to this definition">#</a></dt>
@@ -767,7 +774,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <dd><p>Gather a list of pickleable objects into rank 0</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -798,7 +804,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -807,7 +813,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></p>
+        <p class="prev-next-title">core.common.data_parallel</p>
       </div>
     </a>
     <a class="right-next"
@@ -815,7 +821,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></p>
+        <p class="prev-next-title">core.common.flags</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -835,24 +841,22 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.T"><code class="docutils literal notranslate"><span class="pre">T</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.os_environ_get_or_throw"><code class="docutils literal notranslate"><span class="pre">os_environ_get_or_throw()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.setup"><code class="docutils literal notranslate"><span class="pre">setup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_rank"><code class="docutils literal notranslate"><span class="pre">get_rank()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_world_size"><code class="docutils literal notranslate"><span class="pre">get_world_size()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.is_master"><code class="docutils literal notranslate"><span class="pre">is_master()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.synchronize"><code class="docutils literal notranslate"><span class="pre">synchronize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.broadcast"><code class="docutils literal notranslate"><span class="pre">broadcast()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_reduce"><code class="docutils literal notranslate"><span class="pre">all_reduce()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_gather"><code class="docutils literal notranslate"><span class="pre">all_gather()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.gather_objects"><code class="docutils literal notranslate"><span class="pre">gather_objects()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.T"><code class="docutils literal notranslate"><span class="pre">T</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.os_environ_get_or_throw"><code class="docutils literal notranslate"><span class="pre">os_environ_get_or_throw()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.setup"><code class="docutils literal notranslate"><span class="pre">setup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_rank"><code class="docutils literal notranslate"><span class="pre">get_rank()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.get_world_size"><code class="docutils literal notranslate"><span class="pre">get_world_size()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.is_master"><code class="docutils literal notranslate"><span class="pre">is_master()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.synchronize"><code class="docutils literal notranslate"><span class="pre">synchronize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.broadcast"><code class="docutils literal notranslate"><span class="pre">broadcast()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_reduce"><code class="docutils literal notranslate"><span class="pre">all_reduce()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.all_gather"><code class="docutils literal notranslate"><span class="pre">all_gather()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.distutils.gather_objects"><code class="docutils literal notranslate"><span class="pre">gather_objects()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -903,8 +907,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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diff --git a/autoapi/core/common/flags/index.html b/autoapi/core/common/flags/index.html
index 2d16b8947..b4989c1a1 100644
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.get_parser"><code class="docutils literal notranslate"><span class="pre">Flags.get_parser()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.add_core_args"><code class="docutils literal notranslate"><span class="pre">Flags.add_core_args()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.flags"><code class="docutils literal notranslate"><span class="pre">flags</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags"><code class="docutils literal notranslate"><span class="pre">Flags</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.get_parser"><code class="docutils literal notranslate"><span class="pre">Flags.get_parser()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.add_core_args"><code class="docutils literal notranslate"><span class="pre">Flags.add_core_args()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.flags"><code class="docutils literal notranslate"><span class="pre">flags</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,31 +640,34 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.flags">
-<span id="core-common-flags"></span><h1><a class="reference internal" href="#module-core.common.flags" title="core.common.flags"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></a><a class="headerlink" href="#module-core.common.flags" title="Link to this heading">#</a></h1>
+<span id="core-common-flags"></span><h1>core.common.flags<a class="headerlink" href="#module-core.common.flags" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
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-<section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.flags.Flags" title="core.common.flags.Flags"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Flags</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.flags.flags" title="core.common.flags.flags"><code class="xref py py-obj docutils literal notranslate"><span class="pre">flags</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="classes">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.flags.flags" title="core.common.flags.flags"><code class="xref py py-obj docutils literal notranslate"><span class="pre">flags</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.flags.Flags" title="core.common.flags.Flags"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Flags</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.flags.Flags">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.flags.</span></span><span class="sig-name descname"><span class="pre">Flags</span></span><a class="headerlink" href="#core.common.flags.Flags" title="Link to this definition">#</a></dt>
@@ -681,7 +688,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.common.flags.</span></span><span class="sig-name descname"><span class="pre">flags</span></span><a class="headerlink" href="#core.common.flags.flags" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
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 </section>
 
@@ -712,7 +718,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -721,7 +727,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></p>
+        <p class="prev-next-title">core.common.distutils</p>
       </div>
     </a>
     <a class="right-next"
@@ -729,7 +735,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></p>
+        <p class="prev-next-title">core.common.gp_utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -749,17 +755,15 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.get_parser"><code class="docutils literal notranslate"><span class="pre">Flags.get_parser()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.add_core_args"><code class="docutils literal notranslate"><span class="pre">Flags.add_core_args()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.flags"><code class="docutils literal notranslate"><span class="pre">flags</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags"><code class="docutils literal notranslate"><span class="pre">Flags</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.get_parser"><code class="docutils literal notranslate"><span class="pre">Flags.get_parser()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.Flags.add_core_args"><code class="docutils literal notranslate"><span class="pre">Flags.add_core_args()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.flags.flags"><code class="docutils literal notranslate"><span class="pre">flags</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -810,8 +814,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
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-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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   </footer>
diff --git a/autoapi/core/common/gp_utils/index.html b/autoapi/core/common/gp_utils/index.html
index 9a0626683..61cb05580 100644
--- a/autoapi/core/common/gp_utils/index.html
+++ b/autoapi/core/common/gp_utils/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+</details></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,56 +617,54 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP"><code class="docutils literal notranslate"><span class="pre">_GRAPH_PARALLEL_GROUP</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._DATA_PARALLEL_GROUP"><code class="docutils literal notranslate"><span class="pre">_DATA_PARALLEL_GROUP</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ensure_div"><code class="docutils literal notranslate"><span class="pre">ensure_div()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.divide_and_check_no_remainder"><code class="docutils literal notranslate"><span class="pre">divide_and_check_no_remainder()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.setup_gp"><code class="docutils literal notranslate"><span class="pre">setup_gp()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_group"><code class="docutils literal notranslate"><span class="pre">get_dp_group()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_group"><code class="docutils literal notranslate"><span class="pre">get_gp_group()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_rank"><code class="docutils literal notranslate"><span class="pre">get_dp_rank()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_rank"><code class="docutils literal notranslate"><span class="pre">get_gp_rank()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_world_size"><code class="docutils literal notranslate"><span class="pre">get_dp_world_size()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_world_size"><code class="docutils literal notranslate"><span class="pre">get_gp_world_size()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.pad_tensor"><code class="docutils literal notranslate"><span class="pre">pad_tensor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.trim_tensor"><code class="docutils literal notranslate"><span class="pre">trim_tensor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._split_tensor"><code class="docutils literal notranslate"><span class="pre">_split_tensor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._reduce"><code class="docutils literal notranslate"><span class="pre">_reduce()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._split"><code class="docutils literal notranslate"><span class="pre">_split()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._gather"><code class="docutils literal notranslate"><span class="pre">_gather()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._gather_with_padding"><code class="docutils literal notranslate"><span class="pre">_gather_with_padding()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.backward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP"><code class="docutils literal notranslate"><span class="pre">_GRAPH_PARALLEL_GROUP</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._DATA_PARALLEL_GROUP"><code class="docutils literal notranslate"><span class="pre">_DATA_PARALLEL_GROUP</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ensure_div"><code class="docutils literal notranslate"><span class="pre">ensure_div()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.divide_and_check_no_remainder"><code class="docutils literal notranslate"><span class="pre">divide_and_check_no_remainder()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.setup_gp"><code class="docutils literal notranslate"><span class="pre">setup_gp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.cleanup_gp"><code class="docutils literal notranslate"><span class="pre">cleanup_gp()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.initialized"><code class="docutils literal notranslate"><span class="pre">initialized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_group"><code class="docutils literal notranslate"><span class="pre">get_dp_group()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_group"><code class="docutils literal notranslate"><span class="pre">get_gp_group()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_rank"><code class="docutils literal notranslate"><span class="pre">get_dp_rank()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_rank"><code class="docutils literal notranslate"><span class="pre">get_gp_rank()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_world_size"><code class="docutils literal notranslate"><span class="pre">get_dp_world_size()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_world_size"><code class="docutils literal notranslate"><span class="pre">get_gp_world_size()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.pad_tensor"><code class="docutils literal notranslate"><span class="pre">pad_tensor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.trim_tensor"><code class="docutils literal notranslate"><span class="pre">trim_tensor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._split_tensor"><code class="docutils literal notranslate"><span class="pre">_split_tensor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._reduce"><code class="docutils literal notranslate"><span class="pre">_reduce()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._split"><code class="docutils literal notranslate"><span class="pre">_split()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._gather"><code class="docutils literal notranslate"><span class="pre">_gather()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils._gather_with_padding"><code class="docutils literal notranslate"><span class="pre">_gather_with_padding()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.backward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.backward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.backward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.backward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.backward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.backward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.copy_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">copy_to_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.reduce_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">reduce_from_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.scatter_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">scatter_to_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.gather_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">gather_from_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.backward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.copy_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">copy_to_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.reduce_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">reduce_from_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.scatter_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">scatter_to_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.gather_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">gather_from_model_parallel_region()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -675,15 +679,27 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.gp_utils">
-<span id="core-common-gp-utils"></span><h1><a class="reference internal" href="#module-core.common.gp_utils" title="core.common.gp_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></a><a class="headerlink" href="#module-core.common.gp_utils" title="Link to this heading">#</a></h1>
+<span id="core-common-gp-utils"></span><h1>core.common.gp_utils<a class="headerlink" href="#module-core.common.gp_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP" title="core.common.gp_utils._GRAPH_PARALLEL_GROUP"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_GRAPH_PARALLEL_GROUP</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.common.gp_utils._DATA_PARALLEL_GROUP" title="core.common.gp_utils._DATA_PARALLEL_GROUP"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_DATA_PARALLEL_GROUP</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.gp_utils.CopyToModelParallelRegion" title="core.common.gp_utils.CopyToModelParallelRegion"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CopyToModelParallelRegion</span></code></a></p></td>
 <td><p>Base class to create custom <cite>autograd.Function</cite>.</p></td>
@@ -699,10 +715,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.gp_utils.ensure_div" title="core.common.gp_utils.ensure_div"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ensure_div</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -772,27 +789,18 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP" title="core.common.gp_utils._GRAPH_PARALLEL_GROUP"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_GRAPH_PARALLEL_GROUP</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.common.gp_utils._DATA_PARALLEL_GROUP" title="core.common.gp_utils._DATA_PARALLEL_GROUP"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_DATA_PARALLEL_GROUP</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.common.gp_utils._GRAPH_PARALLEL_GROUP">
-<span class="sig-prename descclassname"><span class="pre">core.common.gp_utils.</span></span><span class="sig-name descname"><span class="pre">_GRAPH_PARALLEL_GROUP</span></span><a class="headerlink" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP" title="Link to this definition">#</a></dt>
+<span class="sig-prename descclassname"><span class="pre">core.common.gp_utils.</span></span><span class="sig-name descname"><span class="pre">_GRAPH_PARALLEL_GROUP</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.common.gp_utils._GRAPH_PARALLEL_GROUP" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py data">
 <dt class="sig sig-object py" id="core.common.gp_utils._DATA_PARALLEL_GROUP">
-<span class="sig-prename descclassname"><span class="pre">core.common.gp_utils.</span></span><span class="sig-name descname"><span class="pre">_DATA_PARALLEL_GROUP</span></span><a class="headerlink" href="#core.common.gp_utils._DATA_PARALLEL_GROUP" title="Link to this definition">#</a></dt>
+<span class="sig-prename descclassname"><span class="pre">core.common.gp_utils.</span></span><span class="sig-name descname"><span class="pre">_DATA_PARALLEL_GROUP</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.common.gp_utils._DATA_PARALLEL_GROUP" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py function">
@@ -1305,7 +1313,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.common.gp_utils.</span></span><span class="sig-name descname"><span class="pre">gather_from_model_parallel_region</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">input</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">-1</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.common.gp_utils.gather_from_model_parallel_region" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1336,7 +1343,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1345,7 +1352,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></p>
+        <p class="prev-next-title">core.common.flags</p>
       </div>
     </a>
     <a class="right-next"
@@ -1353,7 +1360,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></p>
+        <p class="prev-next-title">core.common.hpo_utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1373,56 +1380,54 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_group"><code class="docutils literal notranslate"><span class="pre">get_dp_group()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_group"><code class="docutils literal notranslate"><span class="pre">get_gp_group()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_rank"><code class="docutils literal notranslate"><span class="pre">get_dp_rank()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_dp_world_size"><code class="docutils literal notranslate"><span class="pre">get_dp_world_size()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.get_gp_world_size"><code class="docutils literal notranslate"><span class="pre">get_gp_world_size()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.trim_tensor"><code class="docutils literal notranslate"><span class="pre">trim_tensor()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.CopyToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">CopyToModelParallelRegion.backward()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ReduceFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ReduceFromModelParallelRegion.backward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.backward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.ScatterToModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">ScatterToModelParallelRegion.backward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.copy_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">copy_to_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.reduce_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">reduce_from_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.scatter_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">scatter_to_model_parallel_region()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.gather_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">gather_from_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.forward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.GatherFromModelParallelRegion.backward"><code class="docutils literal notranslate"><span class="pre">GatherFromModelParallelRegion.backward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.copy_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">copy_to_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.reduce_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">reduce_from_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.scatter_to_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">scatter_to_model_parallel_region()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.gp_utils.gather_from_model_parallel_region"><code class="docutils literal notranslate"><span class="pre">gather_from_model_parallel_region()</span></code></a></li>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.tune_reporter"><code class="docutils literal notranslate"><span class="pre">tune_reporter()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.label_metric_dict"><code class="docutils literal notranslate"><span class="pre">label_metric_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.tune_reporter"><code class="docutils literal notranslate"><span class="pre">tune_reporter()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.label_metric_dict"><code class="docutils literal notranslate"><span class="pre">label_metric_dict()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,15 +635,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.hpo_utils">
-<span id="core-common-hpo-utils"></span><h1><a class="reference internal" href="#module-core.common.hpo_utils" title="core.common.hpo_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a><a class="headerlink" href="#module-core.common.hpo_utils" title="Link to this heading">#</a></h1>
+<span id="core-common-hpo-utils"></span><h1>core.common.hpo_utils<a class="headerlink" href="#module-core.common.hpo_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.hpo_utils.tune_reporter" title="core.common.hpo_utils.tune_reporter"><code class="xref py py-obj docutils literal notranslate"><span class="pre">tune_reporter</span></code></a>(→ None)</p></td>
 <td><p>Wrapper function for tune.report()</p></td>
@@ -649,6 +651,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.common.hpo_utils.tune_reporter">
 <span class="sig-prename descclassname"><span class="pre">core.common.hpo_utils.</span></span><span class="sig-name descname"><span class="pre">tune_reporter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">iters</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">train_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">val_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">test_metrics</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">metric_to_opt</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'val_loss'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_max</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'min'</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.hpo_utils.tune_reporter" title="Link to this definition">#</a></dt>
@@ -672,7 +678,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.common.hpo_utils.</span></span><span class="sig-name descname"><span class="pre">label_metric_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">metric_dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">split</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.hpo_utils.label_metric_dict" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -703,7 +708,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -712,7 +717,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></p>
+        <p class="prev-next-title">core.common.gp_utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -720,7 +725,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></p>
+        <p class="prev-next-title">core.common.logger</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -740,12 +745,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.tune_reporter"><code class="docutils literal notranslate"><span class="pre">tune_reporter()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.label_metric_dict"><code class="docutils literal notranslate"><span class="pre">label_metric_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.tune_reporter"><code class="docutils literal notranslate"><span class="pre">tune_reporter()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.hpo_utils.label_metric_dict"><code class="docutils literal notranslate"><span class="pre">label_metric_dict()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -796,8 +799,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/core/common/index.html b/autoapi/core/common/index.html
index 9f83aa808..a7570e432 100644
--- a/autoapi/core/common/index.html
+++ b/autoapi/core/common/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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-<li class="toctree-l4"><a class="reference internal" href="distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
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+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -627,7 +633,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common">
-<span id="core-common"></span><h1><a class="reference internal" href="#module-core.common" title="core.common"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><a class="headerlink" href="#module-core.common" title="Link to this heading">#</a></h1>
+<span id="core-common"></span><h1>core.common<a class="headerlink" href="#module-core.common" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -635,15 +641,7 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="relaxation/optimizers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="relaxation/optimizers/lbfgs_torch/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers.lbfgs_torch</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="relaxation/ase_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ase_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="relaxation/ml_relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ml_relaxation</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="relaxation/index.html">core.common.relaxation</a></li>
 </ul>
 </div>
 </section>
@@ -651,17 +649,17 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l1"><a class="reference internal" href="distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="flags/index.html">core.common.flags</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="logger/index.html">core.common.logger</a></li>
+<li class="toctree-l1"><a class="reference internal" href="registry/index.html">core.common.registry</a></li>
+<li class="toctree-l1"><a class="reference internal" href="transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l1"><a class="reference internal" href="tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="typing/index.html">core.common.typing</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.common.utils</a></li>
 </ul>
 </div>
 </section>
@@ -694,7 +692,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -703,7 +701,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></p>
+        <p class="prev-next-title">core</p>
       </div>
     </a>
     <a class="right-next"
@@ -711,7 +709,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></p>
+        <p class="prev-next-title">core.common.relaxation</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -781,8 +779,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/common/logger/index.html b/autoapi/core/common/logger/index.html
index 5da4abb1c..c75de7f95 100644
--- a/autoapi/core/common/logger/index.html
+++ b/autoapi/core/common/logger/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
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     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,29 +617,30 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger"><code class="docutils literal notranslate"><span class="pre">Logger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.watch"><code class="docutils literal notranslate"><span class="pre">Logger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log"><code class="docutils literal notranslate"><span class="pre">Logger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_plots"><code class="docutils literal notranslate"><span class="pre">Logger.log_plots()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">Logger.mark_preempting()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger"><code class="docutils literal notranslate"><span class="pre">Logger</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.watch"><code class="docutils literal notranslate"><span class="pre">Logger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log"><code class="docutils literal notranslate"><span class="pre">Logger.log()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_plots"><code class="docutils literal notranslate"><span class="pre">Logger.log_plots()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">Logger.mark_preempting()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_summary"><code class="docutils literal notranslate"><span class="pre">Logger.log_summary()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger"><code class="docutils literal notranslate"><span class="pre">WandBLogger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.watch"><code class="docutils literal notranslate"><span class="pre">WandBLogger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log_plots()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">WandBLogger.mark_preempting()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.watch"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.mark_preempting()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_plots()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger"><code class="docutils literal notranslate"><span class="pre">WandBLogger</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.watch"><code class="docutils literal notranslate"><span class="pre">WandBLogger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log_plots()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log_summary"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log_summary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">WandBLogger.mark_preempting()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.watch"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.mark_preempting()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_plots()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_summary"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_summary()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -650,15 +657,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.logger">
-<span id="core-common-logger"></span><h1><a class="reference internal" href="#module-core.common.logger" title="core.common.logger"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></a><a class="headerlink" href="#module-core.common.logger" title="Link to this heading">#</a></h1>
+<span id="core-common-logger"></span><h1>core.common.logger<a class="headerlink" href="#module-core.common.logger" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.logger.Logger" title="core.common.logger.Logger"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Logger</span></code></a></p></td>
 <td><p>Generic class to interface with various logging modules, e.g. wandb,</p></td>
@@ -671,6 +676,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.logger.Logger">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.logger.</span></span><span class="sig-name descname"><span class="pre">Logger</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.logger.Logger" title="Link to this definition">#</a></dt>
@@ -699,6 +708,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">mark_preempting</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.Logger.mark_preempting" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="core.common.logger.Logger.log_summary">
+<em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">log_summary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">summary_dict</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.Logger.log_summary" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
 <dl class="py class">
@@ -724,6 +738,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">log_plots</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">plots</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">caption</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">''</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.WandBLogger.log_plots" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="core.common.logger.WandBLogger.log_summary">
+<span class="sig-name descname"><span class="pre">log_summary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">summary_dict</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.logger.WandBLogger.log_summary" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.common.logger.WandBLogger.mark_preempting">
 <span class="sig-name descname"><span class="pre">mark_preempting</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.WandBLogger.mark_preempting" title="Link to this definition">#</a></dt>
@@ -759,9 +778,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">log_plots</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">plots</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.TensorboardLogger.log_plots" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py method">
+<dt class="sig sig-object py" id="core.common.logger.TensorboardLogger.log_summary">
+<span class="sig-name descname"><span class="pre">log_summary</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">summary_dict</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.common.logger.TensorboardLogger.log_summary" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -792,7 +815,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -801,7 +824,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></p>
+        <p class="prev-next-title">core.common.hpo_utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -809,7 +832,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></p>
+        <p class="prev-next-title">core.common.registry</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -829,29 +852,30 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger"><code class="docutils literal notranslate"><span class="pre">Logger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.watch"><code class="docutils literal notranslate"><span class="pre">Logger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log"><code class="docutils literal notranslate"><span class="pre">Logger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_plots"><code class="docutils literal notranslate"><span class="pre">Logger.log_plots()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">Logger.mark_preempting()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger"><code class="docutils literal notranslate"><span class="pre">WandBLogger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.watch"><code class="docutils literal notranslate"><span class="pre">WandBLogger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log_plots()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">WandBLogger.mark_preempting()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger"><code class="docutils literal notranslate"><span class="pre">Logger</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.watch"><code class="docutils literal notranslate"><span class="pre">Logger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log"><code class="docutils literal notranslate"><span class="pre">Logger.log()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_plots"><code class="docutils literal notranslate"><span class="pre">Logger.log_plots()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">Logger.mark_preempting()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.Logger.log_summary"><code class="docutils literal notranslate"><span class="pre">Logger.log_summary()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.watch"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.watch()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.mark_preempting()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_plots()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger"><code class="docutils literal notranslate"><span class="pre">WandBLogger</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.watch"><code class="docutils literal notranslate"><span class="pre">WandBLogger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.WandBLogger.log_summary"><code class="docutils literal notranslate"><span class="pre">WandBLogger.log_summary()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.watch"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.watch()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.mark_preempting"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.mark_preempting()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_plots"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_plots()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.logger.TensorboardLogger.log_summary"><code class="docutils literal notranslate"><span class="pre">TensorboardLogger.log_summary()</span></code></a></li>
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+
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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-</li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,35 +617,33 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.R"><code class="docutils literal notranslate"><span class="pre">R</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.NestedDict"><code class="docutils literal notranslate"><span class="pre">NestedDict</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry._get_absolute_mapping"><code class="docutils literal notranslate"><span class="pre">_get_absolute_mapping()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry"><code class="docutils literal notranslate"><span class="pre">Registry</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.mapping"><code class="docutils literal notranslate"><span class="pre">Registry.mapping</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_task"><code class="docutils literal notranslate"><span class="pre">Registry.register_task()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_dataset"><code class="docutils literal notranslate"><span class="pre">Registry.register_dataset()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_model"><code class="docutils literal notranslate"><span class="pre">Registry.register_model()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_logger"><code class="docutils literal notranslate"><span class="pre">Registry.register_logger()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_trainer"><code class="docutils literal notranslate"><span class="pre">Registry.register_trainer()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register"><code class="docutils literal notranslate"><span class="pre">Registry.register()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.__import_error"><code class="docutils literal notranslate"><span class="pre">Registry.__import_error()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_task_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_task_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_dataset_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_dataset_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_model_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_model_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_logger_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_logger_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_trainer_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_trainer_class()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get"><code class="docutils literal notranslate"><span class="pre">Registry.get()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.unregister"><code class="docutils literal notranslate"><span class="pre">Registry.unregister()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.registry"><code class="docutils literal notranslate"><span class="pre">registry</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.R"><code class="docutils literal notranslate"><span class="pre">R</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.NestedDict"><code class="docutils literal notranslate"><span class="pre">NestedDict</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry._get_absolute_mapping"><code class="docutils literal notranslate"><span class="pre">_get_absolute_mapping()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry"><code class="docutils literal notranslate"><span class="pre">Registry</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.mapping"><code class="docutils literal notranslate"><span class="pre">Registry.mapping</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_task"><code class="docutils literal notranslate"><span class="pre">Registry.register_task()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_dataset"><code class="docutils literal notranslate"><span class="pre">Registry.register_dataset()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_model"><code class="docutils literal notranslate"><span class="pre">Registry.register_model()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_logger"><code class="docutils literal notranslate"><span class="pre">Registry.register_logger()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register_trainer"><code class="docutils literal notranslate"><span class="pre">Registry.register_trainer()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.register"><code class="docutils literal notranslate"><span class="pre">Registry.register()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.__import_error"><code class="docutils literal notranslate"><span class="pre">Registry.__import_error()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_task_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_task_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_dataset_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_dataset_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_model_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_model_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_logger_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_logger_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get_trainer_class"><code class="docutils literal notranslate"><span class="pre">Registry.get_trainer_class()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.get"><code class="docutils literal notranslate"><span class="pre">Registry.get()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.Registry.unregister"><code class="docutils literal notranslate"><span class="pre">Registry.unregister()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.registry.registry"><code class="docutils literal notranslate"><span class="pre">registry</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -654,7 +658,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.registry">
-<span id="core-common-registry"></span><h1><a class="reference internal" href="#module-core.common.registry" title="core.common.registry"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></a><a class="headerlink" href="#module-core.common.registry" title="Link to this heading">#</a></h1>
+<span id="core-common-registry"></span><h1>core.common.registry<a class="headerlink" href="#module-core.common.registry" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -670,43 +674,47 @@ <h2> Contents </h2>
 <ul class="simple">
 <li><p>Register a model: <code class="docutils literal notranslate"><span class="pre">&#64;registry.register_model</span></code></p></li>
 </ul>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry.R" title="core.common.registry.R"><code class="xref py py-obj docutils literal notranslate"><span class="pre">R</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.common.registry.NestedDict" title="core.common.registry.NestedDict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NestedDict</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry.registry" title="core.common.registry.registry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">registry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry.Registry" title="core.common.registry.Registry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Registry</span></code></a></p></td>
 <td><p>Class for registry object which acts as central source of truth.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry._get_absolute_mapping" title="core.common.registry._get_absolute_mapping"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_get_absolute_mapping</span></code></a>(name)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry.R" title="core.common.registry.R"><code class="xref py py-obj docutils literal notranslate"><span class="pre">R</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.common.registry.NestedDict" title="core.common.registry.NestedDict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NestedDict</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.registry.registry" title="core.common.registry.registry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">registry</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.common.registry.R">
 <span class="sig-prename descclassname"><span class="pre">core.common.registry.</span></span><span class="sig-name descname"><span class="pre">R</span></span><a class="headerlink" href="#core.common.registry.R" title="Link to this definition">#</a></dt>
@@ -926,7 +934,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.common.registry.</span></span><span class="sig-name descname"><span class="pre">registry</span></span><a class="headerlink" href="#core.common.registry.registry" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -957,7 +964,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -966,7 +973,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></p>
+        <p class="prev-next-title">core.common.logger</p>
       </div>
     </a>
     <a class="right-next"
@@ -974,7 +981,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></p>
+        <p class="prev-next-title">core.common.transforms</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -994,35 +1001,33 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.batch_to_atoms"><code class="docutils literal notranslate"><span class="pre">batch_to_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator"><code class="docutils literal notranslate"><span class="pre">OCPCalculator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.implemented_properties"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.implemented_properties</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.calculate"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.calculate()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.batch_to_atoms"><code class="docutils literal notranslate"><span class="pre">batch_to_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator"><code class="docutils literal notranslate"><span class="pre">OCPCalculator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.implemented_properties"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.implemented_properties</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.calculate"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.calculate()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,33 +641,36 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.relaxation.ase_utils">
-<span id="core-common-relaxation-ase-utils"></span><h1><a class="reference internal" href="#module-core.common.relaxation.ase_utils" title="core.common.relaxation.ase_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ase_utils</span></code></a><a class="headerlink" href="#module-core.common.relaxation.ase_utils" title="Link to this heading">#</a></h1>
+<span id="core-common-relaxation-ase-utils"></span><h1>core.common.relaxation.ase_utils<a class="headerlink" href="#module-core.common.relaxation.ase_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
 <p>Utilities to interface OCP models/trainers with the Atomic Simulation
 Environment (ASE)</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.relaxation.ase_utils.OCPCalculator" title="core.common.relaxation.ase_utils.OCPCalculator"><code class="xref py py-obj docutils literal notranslate"><span class="pre">OCPCalculator</span></code></a></p></td>
 <td><p>Base-class for all ASE calculators.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.relaxation.ase_utils.batch_to_atoms" title="core.common.relaxation.ase_utils.batch_to_atoms"><code class="xref py py-obj docutils literal notranslate"><span class="pre">batch_to_atoms</span></code></a>(batch)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.common.relaxation.ase_utils.batch_to_atoms">
 <span class="sig-prename descclassname"><span class="pre">core.common.relaxation.ase_utils.</span></span><span class="sig-name descname"><span class="pre">batch_to_atoms</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.relaxation.ase_utils.batch_to_atoms" title="Link to this definition">#</a></dt>
@@ -733,7 +740,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -764,7 +770,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -773,7 +779,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers.lbfgs_torch</span></code></p>
+        <p class="prev-next-title">core.common.relaxation.optimizers.lbfgs_torch</p>
       </div>
     </a>
     <a class="right-next"
@@ -781,7 +787,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ml_relaxation</span></code></p>
+        <p class="prev-next-title">core.common.relaxation.ml_relaxation</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -801,16 +807,14 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.batch_to_atoms"><code class="docutils literal notranslate"><span class="pre">batch_to_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator"><code class="docutils literal notranslate"><span class="pre">OCPCalculator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.implemented_properties"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.implemented_properties</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.calculate"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.calculate()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.batch_to_atoms"><code class="docutils literal notranslate"><span class="pre">batch_to_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator"><code class="docutils literal notranslate"><span class="pre">OCPCalculator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.implemented_properties"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.implemented_properties</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ase_utils.OCPCalculator.calculate"><code class="docutils literal notranslate"><span class="pre">OCPCalculator.calculate()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -863,8 +867,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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diff --git a/autoapi/core/common/relaxation/index.html b/autoapi/core/common/relaxation/index.html
index 4ff90dd85..cba10b34d 100644
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+++ b/autoapi/core/common/relaxation/index.html
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   <script data-cfasync="false">
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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                 <article class="bd-article">
                   
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+<span id="core-common-relaxation"></span><h1>core.common.relaxation<a class="headerlink" href="#module-core.common.relaxation" title="Link to this heading">#</a></h1>
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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+        <p class="prev-next-title">core.common</p>
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+        <p class="prev-next-title">core.common.relaxation.optimizers</p>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
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@@ -583,14 +589,14 @@
 
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 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
 </div></div>
       
     </div>
@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ml_relaxation.ml_relax"><code class="docutils literal notranslate"><span class="pre">ml_relax()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ml_relaxation.ml_relax"><code class="docutils literal notranslate"><span class="pre">ml_relax()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,21 +634,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.relaxation.ml_relaxation">
-<span id="core-common-relaxation-ml-relaxation"></span><h1><a class="reference internal" href="#module-core.common.relaxation.ml_relaxation" title="core.common.relaxation.ml_relaxation"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ml_relaxation</span></code></a><a class="headerlink" href="#module-core.common.relaxation.ml_relaxation" title="Link to this heading">#</a></h1>
+<span id="core-common-relaxation-ml-relaxation"></span><h1>core.common.relaxation.ml_relaxation<a class="headerlink" href="#module-core.common.relaxation.ml_relaxation" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.relaxation.ml_relaxation.ml_relax" title="core.common.relaxation.ml_relaxation.ml_relax"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ml_relax</span></code></a>(batch, model, steps, fmax, relax_opt, ...[, ...])</p></td>
 <td><p>Runs ML-based relaxations.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.common.relaxation.ml_relaxation.ml_relax">
 <span class="sig-prename descclassname"><span class="pre">core.common.relaxation.ml_relaxation.</span></span><span class="sig-name descname"><span class="pre">ml_relax</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">steps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">fmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">relax_opt</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">save_full_traj</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'cuda:0'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">transform</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">early_stop_batch</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.relaxation.ml_relaxation.ml_relax" title="Link to this definition">#</a></dt>
@@ -670,7 +676,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -701,7 +706,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -710,7 +715,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ase_utils</span></code></p>
+        <p class="prev-next-title">core.common.relaxation.ase_utils</p>
       </div>
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     <a class="right-next"
@@ -718,7 +723,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></p>
+        <p class="prev-next-title">core.common.data_parallel</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -738,11 +743,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ml_relaxation.ml_relax"><code class="docutils literal notranslate"><span class="pre">ml_relax()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.ml_relaxation.ml_relax"><code class="docutils literal notranslate"><span class="pre">ml_relax()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -793,8 +796,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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+<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html">ocpapi.version</a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
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@@ -431,7 +437,7 @@
 
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@@ -624,12 +630,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.relaxation.optimizers">
-<span id="core-common-relaxation-optimizers"></span><h1><a class="reference internal" href="#module-core.common.relaxation.optimizers" title="core.common.relaxation.optimizers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers</span></code></a><a class="headerlink" href="#module-core.common.relaxation.optimizers" title="Link to this heading">#</a></h1>
+<span id="core-common-relaxation-optimizers"></span><h1>core.common.relaxation.optimizers<a class="headerlink" href="#module-core.common.relaxation.optimizers" title="Link to this heading">#</a></h1>
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -671,7 +677,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
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       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></p>
+        <p class="prev-next-title">core.common.relaxation</p>
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@@ -679,7 +685,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers.lbfgs_torch</span></code></p>
+        <p class="prev-next-title">core.common.relaxation.optimizers.lbfgs_torch</p>
       </div>
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diff --git a/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.html b/autoapi/core/common/relaxation/optimizers/lbfgs_torch/index.html
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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@@ -611,22 +617,20 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS"><code class="docutils literal notranslate"><span class="pre">LBFGS</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">LBFGS.get_energy_and_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.set_positions"><code class="docutils literal notranslate"><span class="pre">LBFGS.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.check_convergence"><code class="docutils literal notranslate"><span class="pre">LBFGS.check_convergence()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.run"><code class="docutils literal notranslate"><span class="pre">LBFGS.run()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.step"><code class="docutils literal notranslate"><span class="pre">LBFGS.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.write"><code class="docutils literal notranslate"><span class="pre">LBFGS.write()</span></code></a></li>
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-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc"><code class="docutils literal notranslate"><span class="pre">TorchCalc</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">TorchCalc.get_energy_and_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.update_graph"><code class="docutils literal notranslate"><span class="pre">TorchCalc.update_graph()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS"><code class="docutils literal notranslate"><span class="pre">LBFGS</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">LBFGS.get_energy_and_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.set_positions"><code class="docutils literal notranslate"><span class="pre">LBFGS.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.check_convergence"><code class="docutils literal notranslate"><span class="pre">LBFGS.check_convergence()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.run"><code class="docutils literal notranslate"><span class="pre">LBFGS.run()</span></code></a></li>
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 </ul>
 </li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">TorchCalc.get_energy_and_forces()</span></code></a></li>
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 </ul>
 </li>
 </ul>
@@ -643,15 +647,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.relaxation.optimizers.lbfgs_torch">
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 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
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 <td><p></p></td>
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 <dt class="sig sig-object py" id="core.common.relaxation.optimizers.lbfgs_torch.LBFGS">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.relaxation.optimizers.lbfgs_torch.</span></span><span class="sig-name descname"><span class="pre">LBFGS</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">batch</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch_geometric.data.Batch</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc" title="core.common.relaxation.optimizers.lbfgs_torch.TorchCalc"><span class="pre">TorchCalc</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">maxstep</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.01</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">memory</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">damping</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.25</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">force_consistent</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'cuda:0'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">save_full_traj</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">traj_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">pathlib.Path</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">traj_names</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">early_stop_batch</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS" title="Link to this definition">#</a></dt>
@@ -711,7 +717,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS"><code class="docutils literal notranslate"><span class="pre">LBFGS</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">LBFGS.get_energy_and_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.set_positions"><code class="docutils literal notranslate"><span class="pre">LBFGS.set_positions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.check_convergence"><code class="docutils literal notranslate"><span class="pre">LBFGS.check_convergence()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.run"><code class="docutils literal notranslate"><span class="pre">LBFGS.run()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.step"><code class="docutils literal notranslate"><span class="pre">LBFGS.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.write"><code class="docutils literal notranslate"><span class="pre">LBFGS.write()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc"><code class="docutils literal notranslate"><span class="pre">TorchCalc</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">TorchCalc.get_energy_and_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.update_graph"><code class="docutils literal notranslate"><span class="pre">TorchCalc.update_graph()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS"><code class="docutils literal notranslate"><span class="pre">LBFGS</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">LBFGS.get_energy_and_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.set_positions"><code class="docutils literal notranslate"><span class="pre">LBFGS.set_positions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.check_convergence"><code class="docutils literal notranslate"><span class="pre">LBFGS.check_convergence()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.run"><code class="docutils literal notranslate"><span class="pre">LBFGS.run()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.step"><code class="docutils literal notranslate"><span class="pre">LBFGS.step()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.LBFGS.write"><code class="docutils literal notranslate"><span class="pre">LBFGS.write()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc"><code class="docutils literal notranslate"><span class="pre">TorchCalc</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.get_energy_and_forces"><code class="docutils literal notranslate"><span class="pre">TorchCalc.get_energy_and_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.relaxation.optimizers.lbfgs_torch.TorchCalc.update_graph"><code class="docutils literal notranslate"><span class="pre">TorchCalc.update_graph()</span></code></a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
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+</details></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,13 +619,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate"><code class="docutils literal notranslate"><span class="pre">RandomRotate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__call__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__call__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__repr__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__repr__()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate"><code class="docutils literal notranslate"><span class="pre">RandomRotate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__call__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__call__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__repr__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__repr__()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,21 +640,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.transforms">
-<span id="core-common-transforms"></span><h1><a class="reference internal" href="#module-core.common.transforms" title="core.common.transforms"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a><a class="headerlink" href="#module-core.common.transforms" title="Link to this heading">#</a></h1>
+<span id="core-common-transforms"></span><h1>core.common.transforms<a class="headerlink" href="#module-core.common.transforms" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.transforms.RandomRotate" title="core.common.transforms.RandomRotate"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RandomRotate</span></code></a></p></td>
 <td><p>Rotates node positions around a specific axis by a randomly sampled</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.transforms.RandomRotate">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.transforms.</span></span><span class="sig-name descname"><span class="pre">RandomRotate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">degrees</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">axes</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.transforms.RandomRotate" title="Link to this definition">#</a></dt>
@@ -680,7 +686,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
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 </section>
 </section>
 
@@ -711,7 +716,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -720,7 +725,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></p>
+        <p class="prev-next-title">core.common.registry</p>
       </div>
     </a>
     <a class="right-next"
@@ -728,7 +733,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></p>
+        <p class="prev-next-title">core.common.tutorial_utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -748,13 +753,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate"><code class="docutils literal notranslate"><span class="pre">RandomRotate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__call__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__call__()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate"><code class="docutils literal notranslate"><span class="pre">RandomRotate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__call__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__call__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.transforms.RandomRotate.__repr__"><code class="docutils literal notranslate"><span class="pre">RandomRotate.__repr__()</span></code></a></li>
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diff --git a/autoapi/core/common/tutorial_utils/index.html b/autoapi/core/common/tutorial_utils/index.html
index 9c775d91d..ee3a2db1c 100644
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_root"><code class="docutils literal notranslate"><span class="pre">fairchem_root()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_main"><code class="docutils literal notranslate"><span class="pre">fairchem_main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.describe_fairchem"><code class="docutils literal notranslate"><span class="pre">describe_fairchem()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.train_test_val_split"><code class="docutils literal notranslate"><span class="pre">train_test_val_split()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.generate_yml_config"><code class="docutils literal notranslate"><span class="pre">generate_yml_config()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_root"><code class="docutils literal notranslate"><span class="pre">fairchem_root()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_main"><code class="docutils literal notranslate"><span class="pre">fairchem_main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.describe_fairchem"><code class="docutils literal notranslate"><span class="pre">describe_fairchem()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.train_test_val_split"><code class="docutils literal notranslate"><span class="pre">train_test_val_split()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.generate_yml_config"><code class="docutils literal notranslate"><span class="pre">generate_yml_config()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -634,12 +638,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.tutorial_utils">
-<span id="core-common-tutorial-utils"></span><h1><a class="reference internal" href="#module-core.common.tutorial_utils" title="core.common.tutorial_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a><a class="headerlink" href="#module-core.common.tutorial_utils" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-common-tutorial-utils"></span><h1>core.common.tutorial_utils<a class="headerlink" href="#module-core.common.tutorial_utils" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.tutorial_utils.fairchem_root" title="core.common.tutorial_utils.fairchem_root"><code class="xref py py-obj docutils literal notranslate"><span class="pre">fairchem_root</span></code></a>()</p></td>
 <td><p>Return the root directory of the installed fairchem-core package.</p></td>
@@ -658,6 +660,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.common.tutorial_utils.fairchem_root">
 <span class="sig-prename descclassname"><span class="pre">core.common.tutorial_utils.</span></span><span class="sig-name descname"><span class="pre">fairchem_root</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#core.common.tutorial_utils.fairchem_root" title="Link to this definition">#</a></dt>
@@ -702,7 +708,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <p>Returns an absolute path to the generated yml file.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -733,7 +738,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -742,7 +747,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></p>
+        <p class="prev-next-title">core.common.transforms</p>
       </div>
     </a>
     <a class="right-next"
@@ -750,7 +755,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></p>
+        <p class="prev-next-title">core.common.typing</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -770,15 +775,13 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_root"><code class="docutils literal notranslate"><span class="pre">fairchem_root()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_main"><code class="docutils literal notranslate"><span class="pre">fairchem_main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.describe_fairchem"><code class="docutils literal notranslate"><span class="pre">describe_fairchem()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.train_test_val_split"><code class="docutils literal notranslate"><span class="pre">train_test_val_split()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.generate_yml_config"><code class="docutils literal notranslate"><span class="pre">generate_yml_config()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_root"><code class="docutils literal notranslate"><span class="pre">fairchem_root()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.fairchem_main"><code class="docutils literal notranslate"><span class="pre">fairchem_main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.describe_fairchem"><code class="docutils literal notranslate"><span class="pre">describe_fairchem()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.train_test_val_split"><code class="docutils literal notranslate"><span class="pre">train_test_val_split()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.tutorial_utils.generate_yml_config"><code class="docutils literal notranslate"><span class="pre">generate_yml_config()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -829,8 +832,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/common/typing/index.html b/autoapi/core/common/typing/index.html
index a2a410767..1066f85ef 100644
--- a/autoapi/core/common/typing/index.html
+++ b/autoapi/core/common/typing/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
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 </form></div>
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
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-</li>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing._T"><code class="docutils literal notranslate"><span class="pre">_T</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.assert_is_instance"><code class="docutils literal notranslate"><span class="pre">assert_is_instance()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.none_throws"><code class="docutils literal notranslate"><span class="pre">none_throws()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing._T"><code class="docutils literal notranslate"><span class="pre">_T</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.assert_is_instance"><code class="docutils literal notranslate"><span class="pre">assert_is_instance()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.none_throws"><code class="docutils literal notranslate"><span class="pre">none_throws()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,31 +637,34 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.typing">
-<span id="core-common-typing"></span><h1><a class="reference internal" href="#module-core.common.typing" title="core.common.typing"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a><a class="headerlink" href="#module-core.common.typing" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="core-common-typing"></span><h1>core.common.typing<a class="headerlink" href="#module-core.common.typing" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.typing.assert_is_instance" title="core.common.typing.assert_is_instance"><code class="xref py py-obj docutils literal notranslate"><span class="pre">assert_is_instance</span></code></a>(→ _T)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.common.typing.none_throws" title="core.common.typing.none_throws"><code class="xref py py-obj docutils literal notranslate"><span class="pre">none_throws</span></code></a>(→ _T)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.typing._T" title="core.common.typing._T"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_T</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.typing._T" title="core.common.typing._T"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_T</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.common.typing.assert_is_instance" title="core.common.typing.assert_is_instance"><code class="xref py py-obj docutils literal notranslate"><span class="pre">assert_is_instance</span></code></a>(→ _T)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.common.typing.none_throws" title="core.common.typing.none_throws"><code class="xref py py-obj docutils literal notranslate"><span class="pre">none_throws</span></code></a>(→ _T)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.common.typing._T">
 <span class="sig-prename descclassname"><span class="pre">core.common.typing.</span></span><span class="sig-name descname"><span class="pre">_T</span></span><a class="headerlink" href="#core.common.typing._T" title="Link to this definition">#</a></dt>
@@ -673,7 +680,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -704,7 +710,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -713,7 +719,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></p>
+        <p class="prev-next-title">core.common.tutorial_utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -721,7 +727,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></p>
+        <p class="prev-next-title">core.common.utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -741,14 +747,12 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing._T"><code class="docutils literal notranslate"><span class="pre">_T</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.assert_is_instance"><code class="docutils literal notranslate"><span class="pre">assert_is_instance()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.none_throws"><code class="docutils literal notranslate"><span class="pre">none_throws()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing._T"><code class="docutils literal notranslate"><span class="pre">_T</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.assert_is_instance"><code class="docutils literal notranslate"><span class="pre">assert_is_instance()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.typing.none_throws"><code class="docutils literal notranslate"><span class="pre">none_throws()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -799,8 +803,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
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-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/core/common/utils/index.html b/autoapi/core/common/utils/index.html
index ff12c5961..2f390e7ab 100644
--- a/autoapi/core/common/utils/index.html
+++ b/autoapi/core/common/utils/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,60 +617,58 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader.construct_mapping"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader.construct_mapping()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.print_cuda_usage"><code class="docutils literal notranslate"><span class="pre">print_cuda_usage()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.conditional_grad"><code class="docutils literal notranslate"><span class="pre">conditional_grad()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.plot_histogram"><code class="docutils literal notranslate"><span class="pre">plot_histogram()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.collate"><code class="docutils literal notranslate"><span class="pre">collate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.add_edge_distance_to_graph"><code class="docutils literal notranslate"><span class="pre">add_edge_distance_to_graph()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._import_local_file"><code class="docutils literal notranslate"><span class="pre">_import_local_file()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_experimental_imports"><code class="docutils literal notranslate"><span class="pre">setup_experimental_imports()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._get_project_root"><code class="docutils literal notranslate"><span class="pre">_get_project_root()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_imports"><code class="docutils literal notranslate"><span class="pre">setup_imports()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.dict_set_recursively"><code class="docutils literal notranslate"><span class="pre">dict_set_recursively()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.parse_value"><code class="docutils literal notranslate"><span class="pre">parse_value()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_dict_from_args"><code class="docutils literal notranslate"><span class="pre">create_dict_from_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.load_config"><code class="docutils literal notranslate"><span class="pre">load_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.build_config"><code class="docutils literal notranslate"><span class="pre">build_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_grid"><code class="docutils literal notranslate"><span class="pre">create_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.save_experiment_log"><code class="docutils literal notranslate"><span class="pre">save_experiment_log()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pbc_distances"><code class="docutils literal notranslate"><span class="pre">get_pbc_distances()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.radius_graph_pbc"><code class="docutils literal notranslate"><span class="pre">radius_graph_pbc()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_max_neighbors_mask"><code class="docutils literal notranslate"><span class="pre">get_max_neighbors_mask()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pruned_edge_idx"><code class="docutils literal notranslate"><span class="pre">get_pruned_edge_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.merge_dicts"><code class="docutils literal notranslate"><span class="pre">merge_dicts()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween.filter"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween.filter()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_logging"><code class="docutils literal notranslate"><span class="pre">setup_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.compute_neighbors"><code class="docutils literal notranslate"><span class="pre">compute_neighbors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.check_traj_files"><code class="docutils literal notranslate"><span class="pre">check_traj_files()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.new_trainer_context"><code class="docutils literal notranslate"><span class="pre">new_trainer_context()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._resolve_scale_factor_submodule"><code class="docutils literal notranslate"><span class="pre">_resolve_scale_factor_submodule()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._report_incompat_keys"><code class="docutils literal notranslate"><span class="pre">_report_incompat_keys()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.load_state_dict"><code class="docutils literal notranslate"><span class="pre">load_state_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.scatter_det"><code class="docutils literal notranslate"><span class="pre">scatter_det()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_commit_hash"><code class="docutils literal notranslate"><span class="pre">get_commit_hash()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.cg_change_mat"><code class="docutils literal notranslate"><span class="pre">cg_change_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.irreps_sum"><code class="docutils literal notranslate"><span class="pre">irreps_sum()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.update_config"><code class="docutils literal notranslate"><span class="pre">update_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_loss_module"><code class="docutils literal notranslate"><span class="pre">get_loss_module()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -679,15 +683,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.common.utils">
-<span id="core-common-utils"></span><h1><a class="reference internal" href="#module-core.common.utils" title="core.common.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a><a class="headerlink" href="#module-core.common.utils" title="Link to this heading">#</a></h1>
+<span id="core-common-utils"></span><h1>core.common.utils<a class="headerlink" href="#module-core.common.utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.utils.UniqueKeyLoader" title="core.common.utils.UniqueKeyLoader"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UniqueKeyLoader</span></code></a></p></td>
 <td><p></p></td>
@@ -700,10 +702,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.utils.pyg2_data_transform" title="core.common.utils.pyg2_data_transform"><code class="xref py py-obj docutils literal notranslate"><span class="pre">pyg2_data_transform</span></code></a>(data)</p></td>
 <td><p>if we're on the new pyg (2.0 or later) and if the Data stored is in older format</p></td>
@@ -811,13 +814,17 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <td><p>Returns the sum of the dimensions of the irreps up to the specified angular momentum.</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="reference internal" href="#core.common.utils.update_config" title="core.common.utils.update_config"><code class="xref py py-obj docutils literal notranslate"><span class="pre">update_config</span></code></a>(base_config)</p></td>
-<td><p>Configs created prior to OCP 2.0 are organized a little different than they</p></td>
+<td><p>Configs created prior to FAIRChem/OCP 2.0 are organized a little different than they</p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.common.utils.get_loss_module" title="core.common.utils.get_loss_module"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_loss_module</span></code></a>(loss_name)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.common.utils.UniqueKeyLoader">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.common.utils.</span></span><span class="sig-name descname"><span class="pre">UniqueKeyLoader</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">stream</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.utils.UniqueKeyLoader" title="Link to this definition">#</a></dt>
@@ -1103,7 +1110,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <dl class="py function">
 <dt class="sig sig-object py" id="core.common.utils.update_config">
 <span class="sig-prename descclassname"><span class="pre">core.common.utils.</span></span><span class="sig-name descname"><span class="pre">update_config</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">base_config</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.utils.update_config" title="Link to this definition">#</a></dt>
-<dd><p>Configs created prior to OCP 2.0 are organized a little different than they
+<dd><p>Configs created prior to FAIRChem/OCP 2.0 are organized a little different than they
 are now. Update old configs to fit the new expected structure.</p>
 </dd></dl>
 
@@ -1112,7 +1119,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.common.utils.</span></span><span class="sig-name descname"><span class="pre">get_loss_module</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">loss_name</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.common.utils.get_loss_module" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1143,7 +1149,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1152,7 +1158,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></p>
+        <p class="prev-next-title">core.common.typing</p>
       </div>
     </a>
     <a class="right-next"
@@ -1160,7 +1166,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></p>
+        <p class="prev-next-title">core.datasets</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1180,60 +1186,58 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader.construct_mapping"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader.construct_mapping()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.pyg2_data_transform"><code class="docutils literal notranslate"><span class="pre">pyg2_data_transform()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.save_checkpoint"><code class="docutils literal notranslate"><span class="pre">save_checkpoint()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.Complete"><code class="docutils literal notranslate"><span class="pre">Complete</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.Complete.__call__"><code class="docutils literal notranslate"><span class="pre">Complete.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.UniqueKeyLoader.construct_mapping"><code class="docutils literal notranslate"><span class="pre">UniqueKeyLoader.construct_mapping()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.warmup_lr_lambda"><code class="docutils literal notranslate"><span class="pre">warmup_lr_lambda()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.print_cuda_usage"><code class="docutils literal notranslate"><span class="pre">print_cuda_usage()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.conditional_grad"><code class="docutils literal notranslate"><span class="pre">conditional_grad()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.plot_histogram"><code class="docutils literal notranslate"><span class="pre">plot_histogram()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.collate"><code class="docutils literal notranslate"><span class="pre">collate()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.add_edge_distance_to_graph"><code class="docutils literal notranslate"><span class="pre">add_edge_distance_to_graph()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._import_local_file"><code class="docutils literal notranslate"><span class="pre">_import_local_file()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_experimental_imports"><code class="docutils literal notranslate"><span class="pre">setup_experimental_imports()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._get_project_root"><code class="docutils literal notranslate"><span class="pre">_get_project_root()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_imports"><code class="docutils literal notranslate"><span class="pre">setup_imports()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.dict_set_recursively"><code class="docutils literal notranslate"><span class="pre">dict_set_recursively()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.parse_value"><code class="docutils literal notranslate"><span class="pre">parse_value()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_dict_from_args"><code class="docutils literal notranslate"><span class="pre">create_dict_from_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.load_config"><code class="docutils literal notranslate"><span class="pre">load_config()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.build_config"><code class="docutils literal notranslate"><span class="pre">build_config()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_grid"><code class="docutils literal notranslate"><span class="pre">create_grid()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.save_experiment_log"><code class="docutils literal notranslate"><span class="pre">save_experiment_log()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pbc_distances"><code class="docutils literal notranslate"><span class="pre">get_pbc_distances()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.radius_graph_pbc"><code class="docutils literal notranslate"><span class="pre">radius_graph_pbc()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_max_neighbors_mask"><code class="docutils literal notranslate"><span class="pre">get_max_neighbors_mask()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pruned_edge_idx"><code class="docutils literal notranslate"><span class="pre">get_pruned_edge_idx()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.merge_dicts"><code class="docutils literal notranslate"><span class="pre">merge_dicts()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween.filter"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween.filter()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.pyg2_data_transform"><code class="docutils literal notranslate"><span class="pre">pyg2_data_transform()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.save_checkpoint"><code class="docutils literal notranslate"><span class="pre">save_checkpoint()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.Complete"><code class="docutils literal notranslate"><span class="pre">Complete</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.Complete.__call__"><code class="docutils literal notranslate"><span class="pre">Complete.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_logging"><code class="docutils literal notranslate"><span class="pre">setup_logging()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.compute_neighbors"><code class="docutils literal notranslate"><span class="pre">compute_neighbors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.check_traj_files"><code class="docutils literal notranslate"><span class="pre">check_traj_files()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.new_trainer_context"><code class="docutils literal notranslate"><span class="pre">new_trainer_context()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.update_config"><code class="docutils literal notranslate"><span class="pre">update_config()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.warmup_lr_lambda"><code class="docutils literal notranslate"><span class="pre">warmup_lr_lambda()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.print_cuda_usage"><code class="docutils literal notranslate"><span class="pre">print_cuda_usage()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.conditional_grad"><code class="docutils literal notranslate"><span class="pre">conditional_grad()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.plot_histogram"><code class="docutils literal notranslate"><span class="pre">plot_histogram()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.collate"><code class="docutils literal notranslate"><span class="pre">collate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.add_edge_distance_to_graph"><code class="docutils literal notranslate"><span class="pre">add_edge_distance_to_graph()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._import_local_file"><code class="docutils literal notranslate"><span class="pre">_import_local_file()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_experimental_imports"><code class="docutils literal notranslate"><span class="pre">setup_experimental_imports()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._get_project_root"><code class="docutils literal notranslate"><span class="pre">_get_project_root()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_imports"><code class="docutils literal notranslate"><span class="pre">setup_imports()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.dict_set_recursively"><code class="docutils literal notranslate"><span class="pre">dict_set_recursively()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.parse_value"><code class="docutils literal notranslate"><span class="pre">parse_value()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_dict_from_args"><code class="docutils literal notranslate"><span class="pre">create_dict_from_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.load_config"><code class="docutils literal notranslate"><span class="pre">load_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.build_config"><code class="docutils literal notranslate"><span class="pre">build_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.create_grid"><code class="docutils literal notranslate"><span class="pre">create_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.save_experiment_log"><code class="docutils literal notranslate"><span class="pre">save_experiment_log()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pbc_distances"><code class="docutils literal notranslate"><span class="pre">get_pbc_distances()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.radius_graph_pbc"><code class="docutils literal notranslate"><span class="pre">radius_graph_pbc()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_max_neighbors_mask"><code class="docutils literal notranslate"><span class="pre">get_max_neighbors_mask()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_pruned_edge_idx"><code class="docutils literal notranslate"><span class="pre">get_pruned_edge_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.merge_dicts"><code class="docutils literal notranslate"><span class="pre">merge_dicts()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.SeverityLevelBetween.filter"><code class="docutils literal notranslate"><span class="pre">SeverityLevelBetween.filter()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.setup_logging"><code class="docutils literal notranslate"><span class="pre">setup_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.compute_neighbors"><code class="docutils literal notranslate"><span class="pre">compute_neighbors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.check_traj_files"><code class="docutils literal notranslate"><span class="pre">check_traj_files()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.new_trainer_context"><code class="docutils literal notranslate"><span class="pre">new_trainer_context()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._resolve_scale_factor_submodule"><code class="docutils literal notranslate"><span class="pre">_resolve_scale_factor_submodule()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils._report_incompat_keys"><code class="docutils literal notranslate"><span class="pre">_report_incompat_keys()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.load_state_dict"><code class="docutils literal notranslate"><span class="pre">load_state_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.scatter_det"><code class="docutils literal notranslate"><span class="pre">scatter_det()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_commit_hash"><code class="docutils literal notranslate"><span class="pre">get_commit_hash()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.cg_change_mat"><code class="docutils literal notranslate"><span class="pre">cg_change_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.irreps_sum"><code class="docutils literal notranslate"><span class="pre">irreps_sum()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.update_config"><code class="docutils literal notranslate"><span class="pre">update_config()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.common.utils.get_loss_module"><code class="docutils literal notranslate"><span class="pre">get_loss_module()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1284,8 +1288,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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diff --git a/autoapi/core/datasets/_utils/index.html b/autoapi/core/datasets/_utils/index.html
index b9151b404..7a65d5ea5 100644
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+++ b/autoapi/core/datasets/_utils/index.html
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
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-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
 </div></div>
       
     </div>
@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets._utils.rename_data_object_keys"><code class="docutils literal notranslate"><span class="pre">rename_data_object_keys()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets._utils.rename_data_object_keys"><code class="docutils literal notranslate"><span class="pre">rename_data_object_keys()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,21 +634,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets._utils">
-<span id="core-datasets-utils"></span><h1><a class="reference internal" href="#module-core.datasets._utils" title="core.datasets._utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></a><a class="headerlink" href="#module-core.datasets._utils" title="Link to this heading">#</a></h1>
+<span id="core-datasets-utils"></span><h1>core.datasets._utils<a class="headerlink" href="#module-core.datasets._utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets._utils.rename_data_object_keys" title="core.datasets._utils.rename_data_object_keys"><code class="xref py py-obj docutils literal notranslate"><span class="pre">rename_data_object_keys</span></code></a>(→ torch_geometric.data.Data)</p></td>
 <td><p>Rename data object keys</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.datasets._utils.rename_data_object_keys">
 <span class="sig-prename descclassname"><span class="pre">core.datasets._utils.</span></span><span class="sig-name descname"><span class="pre">rename_data_object_keys</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data_object</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch_geometric.data.Data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">key_mapping</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch_geometric.data.Data</span></span></span><a class="headerlink" href="#core.datasets._utils.rename_data_object_keys" title="Link to this definition">#</a></dt>
@@ -659,7 +665,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -690,7 +695,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
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@@ -699,7 +704,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.qmof_khot_embeddings</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings.qmof_khot_embeddings</p>
       </div>
     </a>
     <a class="right-next"
@@ -707,7 +712,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></p>
+        <p class="prev-next-title">core.datasets.ase_datasets</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -727,11 +732,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets._utils.rename_data_object_keys"><code class="docutils literal notranslate"><span class="pre">rename_data_object_keys()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets._utils.rename_data_object_keys"><code class="docutils literal notranslate"><span class="pre">rename_data_object_keys()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -782,8 +785,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/datasets/ase_datasets/index.html b/autoapi/core/datasets/ase_datasets/index.html
index 399e6447c..647755150 100644
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+++ b/autoapi/core/datasets/ase_datasets/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,42 +617,40 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.apply_one_tags"><code class="docutils literal notranslate"><span class="pre">apply_one_tags()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__len__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_relaxed_energy()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_metadata()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.apply_one_tags"><code class="docutils literal notranslate"><span class="pre">apply_one_tags()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__len__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.get_metadata()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_metadata()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_metadata()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseDBDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -663,15 +667,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.ase_datasets">
-<span id="core-datasets-ase-datasets"></span><h1><a class="reference internal" href="#module-core.datasets.ase_datasets" title="core.datasets.ase_datasets"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a><a class="headerlink" href="#module-core.datasets.ase_datasets" title="Link to this heading">#</a></h1>
+<span id="core-datasets-ase-datasets"></span><h1>core.datasets.ase_datasets<a class="headerlink" href="#module-core.datasets.ase_datasets" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.ase_datasets.AseAtomsDataset" title="core.datasets.ase_datasets.AseAtomsDataset"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AseAtomsDataset</span></code></a></p></td>
 <td><p>This is an abstract Dataset that includes helpful utilities for turning</p></td>
@@ -687,16 +689,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.ase_datasets.apply_one_tags" title="core.datasets.ase_datasets.apply_one_tags"><code class="xref py py-obj docutils literal notranslate"><span class="pre">apply_one_tags</span></code></a>(atoms[, skip_if_nonzero, skip_always])</p></td>
 <td><p>This function will apply tags of 1 to an ASE atoms object.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.datasets.ase_datasets.apply_one_tags">
 <span class="sig-prename descclassname"><span class="pre">core.datasets.ase_datasets.</span></span><span class="sig-name descname"><span class="pre">apply_one_tags</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">skip_if_nonzero</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">skip_always</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.ase_datasets.apply_one_tags" title="Link to this definition">#</a></dt>
@@ -1011,7 +1018,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1042,7 +1048,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1051,7 +1057,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></p>
+        <p class="prev-next-title">core.datasets._utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -1059,7 +1065,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></p>
+        <p class="prev-next-title">core.datasets.lmdb_database</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1079,42 +1085,40 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.apply_one_tags"><code class="docutils literal notranslate"><span class="pre">apply_one_tags()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__len__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.ase_datasets.AseAtomsDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">AseAtomsDataset.__getitem__()</span></code></a></li>
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@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
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 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.atomic_radii.ATOMIC_RADII"><code class="docutils literal notranslate"><span class="pre">ATOMIC_RADII</span></code></a></li>
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-<span id="core-datasets-embeddings-atomic-radii"></span><h1><a class="reference internal" href="#module-core.datasets.embeddings.atomic_radii" title="core.datasets.embeddings.atomic_radii"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></a><a class="headerlink" href="#module-core.datasets.embeddings.atomic_radii" title="Link to this heading">#</a></h1>
+<span id="core-datasets-embeddings-atomic-radii"></span><h1>core.datasets.embeddings.atomic_radii<a class="headerlink" href="#module-core.datasets.embeddings.atomic_radii" title="Link to this heading">#</a></h1>
 <p>Atomic radii in picometers</p>
 <p>NaN stored for unavailable parameters.</p>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
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+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.embeddings.atomic_radii.ATOMIC_RADII" title="core.datasets.embeddings.atomic_radii.ATOMIC_RADII"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ATOMIC_RADII</span></code></a></p></td>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.continuous_embeddings</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings.continuous_embeddings</p>
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   </div>
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.atomic_radii.ATOMIC_RADII"><code class="docutils literal notranslate"><span class="pre">ATOMIC_RADII</span></code></a></li>
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -572,10 +578,10 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.continuous_embeddings.CONTINUOUS_EMBEDDINGS"><code class="docutils literal notranslate"><span class="pre">CONTINUOUS_EMBEDDINGS</span></code></a></li>
 </ul>
@@ -627,7 +634,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.embeddings.continuous_embeddings">
-<span id="core-datasets-embeddings-continuous-embeddings"></span><h1><a class="reference internal" href="#module-core.datasets.embeddings.continuous_embeddings" title="core.datasets.embeddings.continuous_embeddings"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.continuous_embeddings</span></code></a><a class="headerlink" href="#module-core.datasets.embeddings.continuous_embeddings" title="Link to this heading">#</a></h1>
+<span id="core-datasets-embeddings-continuous-embeddings"></span><h1>core.datasets.embeddings.continuous_embeddings<a class="headerlink" href="#module-core.datasets.embeddings.continuous_embeddings" title="Link to this heading">#</a></h1>
 <p>CGCNN-like embeddings using continuous values instead of original k-hot.</p>
 <dl class="simple">
 <dt>Properties:</dt><dd><p>Group number
@@ -642,6 +649,17 @@ <h2> Contents </h2>
 </dd>
 </dl>
 <p>NaN stored for unavaialable parameters.</p>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.embeddings.continuous_embeddings.CONTINUOUS_EMBEDDINGS" title="core.datasets.embeddings.continuous_embeddings.CONTINUOUS_EMBEDDINGS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CONTINUOUS_EMBEDDINGS</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -679,7 +697,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -688,7 +706,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
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       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings.atomic_radii</p>
       </div>
     </a>
     <a class="right-next"
@@ -696,7 +714,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.khot_embeddings</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings.khot_embeddings</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -716,6 +734,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.continuous_embeddings.CONTINUOUS_EMBEDDINGS"><code class="docutils literal notranslate"><span class="pre">CONTINUOUS_EMBEDDINGS</span></code></a></li>
 </ul>
@@ -768,8 +787,8 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   
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diff --git a/autoapi/core/datasets/embeddings/index.html b/autoapi/core/datasets/embeddings/index.html
index 9178d22ad..d4a8bd91f 100644
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
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+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
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 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.ATOMIC_RADII"><code class="docutils literal notranslate"><span class="pre">ATOMIC_RADII</span></code></a></li>
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 <ul>
-<li class="toctree-l1"><a class="reference internal" href="atomic_radii/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></a></li>
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 </div>
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+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.embeddings.ATOMIC_RADII" title="core.datasets.embeddings.ATOMIC_RADII"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ATOMIC_RADII</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.datasets.embeddings.CONTINUOUS_EMBEDDINGS" title="core.datasets.embeddings.CONTINUOUS_EMBEDDINGS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CONTINUOUS_EMBEDDINGS</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.embeddings.KHOT_EMBEDDINGS" title="core.datasets.embeddings.KHOT_EMBEDDINGS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">KHOT_EMBEDDINGS</span></code></a></p></td>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></p>
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+<span id="core-datasets-embeddings-khot-embeddings"></span><h1>core.datasets.embeddings.khot_embeddings<a class="headerlink" href="#module-core.datasets.embeddings.khot_embeddings" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
 <p>Original CGCNN k-hot elemental embeddings.</p>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
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 <section id="module-contents">
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+<li class="toctree-l4"><a class="reference internal" href="../../../tasks/task/index.html">core.tasks.task</a></li>
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@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+</button>
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     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.qmof_khot_embeddings.QMOF_KHOT_EMBEDDINGS"><code class="docutils literal notranslate"><span class="pre">QMOF_KHOT_EMBEDDINGS</span></code></a></li>
 </ul>
@@ -627,13 +634,24 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.embeddings.qmof_khot_embeddings">
-<span id="core-datasets-embeddings-qmof-khot-embeddings"></span><h1><a class="reference internal" href="#module-core.datasets.embeddings.qmof_khot_embeddings" title="core.datasets.embeddings.qmof_khot_embeddings"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.qmof_khot_embeddings</span></code></a><a class="headerlink" href="#module-core.datasets.embeddings.qmof_khot_embeddings" title="Link to this heading">#</a></h1>
+<span id="core-datasets-embeddings-qmof-khot-embeddings"></span><h1>core.datasets.embeddings.qmof_khot_embeddings<a class="headerlink" href="#module-core.datasets.embeddings.qmof_khot_embeddings" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
 <p>k-hot elemental embeddings from QMOF, motivated by the following Github Issue threads:
 <a class="github reference external" href="https://github.com/txie-93/cgcnn/issues/2">txie-93/cgcnn#2</a>
 <a class="github reference external" href="https://github.com/arosen93/QMOF/issues/18">arosen93/QMOF#18</a></p>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.embeddings.qmof_khot_embeddings.QMOF_KHOT_EMBEDDINGS" title="core.datasets.embeddings.qmof_khot_embeddings.QMOF_KHOT_EMBEDDINGS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">QMOF_KHOT_EMBEDDINGS</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
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@@ -671,7 +689,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -680,7 +698,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.khot_embeddings</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings.khot_embeddings</p>
       </div>
     </a>
     <a class="right-next"
@@ -688,7 +706,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></p>
+        <p class="prev-next-title">core.datasets._utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -708,6 +726,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.embeddings.qmof_khot_embeddings.QMOF_KHOT_EMBEDDINGS"><code class="docutils literal notranslate"><span class="pre">QMOF_KHOT_EMBEDDINGS</span></code></a></li>
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   </div>
   
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+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/datasets/index.html b/autoapi/core/datasets/index.html
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+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
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+
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@@ -139,6 +140,8 @@
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
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@@ -583,14 +589,14 @@
 
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 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,68 +619,66 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_metadata()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_metadata()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__exit__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__exit__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._update"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._update()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write_deleted_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write_deleted_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.delete"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.delete()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._get_row"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._get_row_by_index"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row_by_index()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._select"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._select()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.count"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.count()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._load_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._load_ids()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__exit__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__exit__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._update"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write_deleted_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write_deleted_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.delete"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.delete()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._get_row"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._get_row_by_index"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row_by_index()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._select"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._select()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.count"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.count()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._load_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._load_ids()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset"><code class="docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.metadata_path"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.metadata_path</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.sharded"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.sharded</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.get_metadata()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.SinglePointLmdbDataset"><code class="docutils literal notranslate"><span class="pre">SinglePointLmdbDataset</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.TrajectoryLmdbDataset"><code class="docutils literal notranslate"><span class="pre">TrajectoryLmdbDataset</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.data_list_collater"><code class="docutils literal notranslate"><span class="pre">data_list_collater()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset"><code class="docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.metadata_path"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.metadata_path</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.sharded"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.sharded</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.get_metadata()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.SinglePointLmdbDataset"><code class="docutils literal notranslate"><span class="pre">SinglePointLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.TrajectoryLmdbDataset"><code class="docutils literal notranslate"><span class="pre">TrajectoryLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.data_list_collater"><code class="docutils literal notranslate"><span class="pre">data_list_collater()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -691,18 +695,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets">
-<span id="core-datasets"></span><h1><a class="reference internal" href="#module-core.datasets" title="core.datasets"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><a class="headerlink" href="#module-core.datasets" title="Link to this heading">#</a></h1>
+<span id="core-datasets"></span><h1>core.datasets<a class="headerlink" href="#module-core.datasets" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="embeddings/atomic_radii/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="embeddings/continuous_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.continuous_embeddings</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="embeddings/khot_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.khot_embeddings</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="embeddings/qmof_khot_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.qmof_khot_embeddings</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="embeddings/index.html">core.datasets.embeddings</a></li>
 </ul>
 </div>
 </section>
@@ -710,20 +708,18 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="lmdb_database/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l1"><a class="reference internal" href="lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l1"><a class="reference internal" href="lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l1"><a class="reference internal" href="oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l1"><a class="reference internal" href="target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.AseDBDataset" title="core.datasets.AseDBDataset"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a></p></td>
 <td><p>This Dataset connects to an ASE Database, allowing the storage of atoms objects</p></td>
@@ -751,16 +747,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.data_list_collater" title="core.datasets.data_list_collater"><code class="xref py py-obj docutils literal notranslate"><span class="pre">data_list_collater</span></code></a>(→ torch_geometric.data.data.BaseData)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.datasets.AseDBDataset">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.datasets.</span></span><span class="sig-name descname"><span class="pre">AseDBDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atoms_transform</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Callable</span><span class="p"><span class="pre">[</span></span><span class="p"><span class="pre">[</span></span><span class="pre">ase.Atoms</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Ellipsis</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">ase.Atoms</span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">apply_one_tags</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.AseDBDataset" title="Link to this definition">#</a></dt>
@@ -1006,18 +1007,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.datasets.</span></span><span class="sig-name descname"><span class="pre">LMDBDatabase</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">pathlib.Path</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">create_indices</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_lock_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">serial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">readonly</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.LMDBDatabase" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">ase.db.core.Database</span></code></p>
 <p>Base class for all databases.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.datasets.LMDBDatabase.metadata">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">metadata</span></span><a class="headerlink" href="#core.datasets.LMDBDatabase.metadata" title="Link to this definition">#</a></dt>
-<dd><p>Load the metadata from the DB if present</p>
-</dd></dl>
-
-<dl class="py property">
-<dt class="sig sig-object py" id="core.datasets.LMDBDatabase._nextid">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_nextid</span></span><a class="headerlink" href="#core.datasets.LMDBDatabase._nextid" title="Link to this definition">#</a></dt>
-<dd><p>Get the id of the next row to be written</p>
-</dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.datasets.LMDBDatabase.__enter__">
 <span class="sig-name descname"><span class="pre">__enter__</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">typing_extensions.Self</span></span></span><a class="headerlink" href="#core.datasets.LMDBDatabase.__enter__" title="Link to this definition">#</a></dt>
@@ -1070,6 +1059,20 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-name descname"><span class="pre">_select</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cmps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">explain</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">verbosity</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">limit</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">offset</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sort</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_data</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">columns</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'all'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.LMDBDatabase._select" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.datasets.LMDBDatabase.metadata">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">metadata</span></span><a class="headerlink" href="#core.datasets.LMDBDatabase.metadata" title="Link to this definition">#</a></dt>
+<dt class="sig sig-object py">
+<span class="sig-name descname"><span class="pre">Load</span> <span class="pre">the</span> <span class="pre">metadata</span> <span class="pre">from</span> <span class="pre">the</span> <span class="pre">DB</span> <span class="pre">if</span> <span class="pre">present</span></span></dt>
+<dd></dd></dl>
+
+<dl class="py property">
+<dt class="sig sig-object py" id="core.datasets.LMDBDatabase._nextid">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_nextid</span></span><a class="headerlink" href="#core.datasets.LMDBDatabase._nextid" title="Link to this definition">#</a></dt>
+<dt class="sig sig-object py">
+<span class="sig-name descname"><span class="pre">Get</span> <span class="pre">the</span> <span class="pre">id</span> <span class="pre">of</span> <span class="pre">the</span> <span class="pre">next</span> <span class="pre">row</span> <span class="pre">to</span> <span class="pre">be</span> <span class="pre">written</span></span></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.datasets.LMDBDatabase.count">
 <span class="sig-name descname"><span class="pre">count</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">selection</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span></span></span><a class="headerlink" href="#core.datasets.LMDBDatabase.count" title="Link to this definition">#</a></dt>
@@ -1249,7 +1252,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1280,7 +1282,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1289,7 +1291,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></p>
+        <p class="prev-next-title">core.common.utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -1297,7 +1299,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings</span></code></p>
+        <p class="prev-next-title">core.datasets.embeddings</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1319,68 +1321,66 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_relaxed_energy()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset"><code class="docutils literal notranslate"><span class="pre">AseDBDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseDBDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.close_db"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_metadata()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseDBDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseDBDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset._load_dataset_get_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_metadata()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset"><code class="docutils literal notranslate"><span class="pre">AseReadDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset._load_dataset_get_ids"><code class="docutils literal notranslate"><span class="pre">AseReadDataset._load_dataset_get_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_atoms"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadDataset.get_relaxed_energy()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.AseReadMultiStructureDataset.get_relaxed_energy"><code class="docutils literal notranslate"><span class="pre">AseReadMultiStructureDataset.get_relaxed_energy()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._write_deleted_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write_deleted_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.delete"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.delete()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._get_row"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._select"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._select()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase.count"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.count()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LMDBDatabase._load_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._load_ids()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset"><code class="docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.metadata_path"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.metadata_path</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.sharded"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.sharded</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.LmdbDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.get_metadata()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.SinglePointLmdbDataset"><code class="docutils literal notranslate"><span class="pre">SinglePointLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.TrajectoryLmdbDataset"><code class="docutils literal notranslate"><span class="pre">TrajectoryLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.data_list_collater"><code class="docutils literal notranslate"><span class="pre">data_list_collater()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
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@@ -1433,8 +1433,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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@@ -154,7 +157,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
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 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,27 +617,25 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__exit__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__exit__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._update"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._update()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._write_deleted_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write_deleted_ids()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.delete"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.delete()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._get_row"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._get_row_by_index"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row_by_index()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._select"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._select()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.count"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.count()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._load_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._load_ids()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.RESERVED_KEYS"><code class="docutils literal notranslate"><span class="pre">RESERVED_KEYS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__exit__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__exit__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._update"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._write_deleted_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write_deleted_ids()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.delete"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.delete()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._get_row"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._get_row_by_index"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._get_row_by_index()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._select"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._select()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.count"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.count()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._load_ids"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._load_ids()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -648,33 +652,36 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.lmdb_database">
-<span id="core-datasets-lmdb-database"></span><h1><a class="reference internal" href="#module-core.datasets.lmdb_database" title="core.datasets.lmdb_database"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a><a class="headerlink" href="#module-core.datasets.lmdb_database" title="Link to this heading">#</a></h1>
+<span id="core-datasets-lmdb-database"></span><h1>core.datasets.lmdb_database<a class="headerlink" href="#module-core.datasets.lmdb_database" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is modified from the ASE db json backend
 and is thus licensed under the corresponding LGPL2.1 license</p>
 <p>The ASE notice for the LGPL2.1 license is available here:
 <a class="gitlab reference external" href="https://gitlab.com/ase/ase/-/blob/master/LICENSE">ase/ase/-/blob/master/LICENSE</a></p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_database.LMDBDatabase" title="core.datasets.lmdb_database.LMDBDatabase"><code class="xref py py-obj docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a></p></td>
-<td><p>Base class for all databases.</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_database.RESERVED_KEYS" title="core.datasets.lmdb_database.RESERVED_KEYS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RESERVED_KEYS</span></code></a></p></td>
+<td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="classes">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_database.RESERVED_KEYS" title="core.datasets.lmdb_database.RESERVED_KEYS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RESERVED_KEYS</span></code></a></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_database.LMDBDatabase" title="core.datasets.lmdb_database.LMDBDatabase"><code class="xref py py-obj docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a></p></td>
+<td><p>Base class for all databases.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.datasets.lmdb_database.RESERVED_KEYS">
 <span class="sig-prename descclassname"><span class="pre">core.datasets.lmdb_database.</span></span><span class="sig-name descname"><span class="pre">RESERVED_KEYS</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">['nextid',</span> <span class="pre">'metadata',</span> <span class="pre">'deleted_ids']</span></em><a class="headerlink" href="#core.datasets.lmdb_database.RESERVED_KEYS" title="Link to this definition">#</a></dt>
@@ -685,18 +692,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.datasets.lmdb_database.</span></span><span class="sig-name descname"><span class="pre">LMDBDatabase</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">filename</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">pathlib.Path</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">create_indices</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_lock_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">serial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">readonly</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">ase.db.core.Database</span></code></p>
 <p>Base class for all databases.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase.metadata">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">metadata</span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase.metadata" title="Link to this definition">#</a></dt>
-<dd><p>Load the metadata from the DB if present</p>
-</dd></dl>
-
-<dl class="py property">
-<dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase._nextid">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_nextid</span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase._nextid" title="Link to this definition">#</a></dt>
-<dd><p>Get the id of the next row to be written</p>
-</dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase.__enter__">
 <span class="sig-name descname"><span class="pre">__enter__</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">typing_extensions.Self</span></span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase.__enter__" title="Link to this definition">#</a></dt>
@@ -749,6 +744,20 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-name descname"><span class="pre">_select</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cmps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">explain</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">verbosity</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">limit</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">offset</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sort</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">include_data</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">columns</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'all'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase._select" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase.metadata">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">metadata</span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase.metadata" title="Link to this definition">#</a></dt>
+<dt class="sig sig-object py">
+<span class="sig-name descname"><span class="pre">Load</span> <span class="pre">the</span> <span class="pre">metadata</span> <span class="pre">from</span> <span class="pre">the</span> <span class="pre">DB</span> <span class="pre">if</span> <span class="pre">present</span></span></dt>
+<dd></dd></dl>
+
+<dl class="py property">
+<dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase._nextid">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_nextid</span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase._nextid" title="Link to this definition">#</a></dt>
+<dt class="sig sig-object py">
+<span class="sig-name descname"><span class="pre">Get</span> <span class="pre">the</span> <span class="pre">id</span> <span class="pre">of</span> <span class="pre">the</span> <span class="pre">next</span> <span class="pre">row</span> <span class="pre">to</span> <span class="pre">be</span> <span class="pre">written</span></span></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.datasets.lmdb_database.LMDBDatabase.count">
 <span class="sig-name descname"><span class="pre">count</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">selection</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">int</span></span></span><a class="headerlink" href="#core.datasets.lmdb_database.LMDBDatabase.count" title="Link to this definition">#</a></dt>
@@ -769,7 +778,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -800,7 +808,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -809,7 +817,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></p>
+        <p class="prev-next-title">core.datasets.ase_datasets</p>
       </div>
     </a>
     <a class="right-next"
@@ -817,7 +825,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></p>
+        <p class="prev-next-title">core.datasets.lmdb_dataset</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -837,27 +845,25 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.RESERVED_KEYS"><code class="docutils literal notranslate"><span class="pre">RESERVED_KEYS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.metadata"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.metadata</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._nextid"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._nextid</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__enter__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__enter__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.__exit__"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.__exit__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase.close"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase.close()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._write"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._write()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_database.LMDBDatabase._update"><code class="docutils literal notranslate"><span class="pre">LMDBDatabase._update()</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../tasks/task/index.html">core.tasks.task</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,26 +617,24 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.T_co"><code class="docutils literal notranslate"><span class="pre">T_co</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset"><code class="docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.metadata_path"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.metadata_path</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.sharded"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.sharded</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.close_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.get_metadata()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.SinglePointLmdbDataset"><code class="docutils literal notranslate"><span class="pre">SinglePointLmdbDataset</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.TrajectoryLmdbDataset"><code class="docutils literal notranslate"><span class="pre">TrajectoryLmdbDataset</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.data_list_collater"><code class="docutils literal notranslate"><span class="pre">data_list_collater()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.T_co"><code class="docutils literal notranslate"><span class="pre">T_co</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset"><code class="docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.metadata_path"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.metadata_path</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.sharded"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.sharded</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.close_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.LmdbDataset.get_metadata"><code class="docutils literal notranslate"><span class="pre">LmdbDataset.get_metadata()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.SinglePointLmdbDataset"><code class="docutils literal notranslate"><span class="pre">SinglePointLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.TrajectoryLmdbDataset"><code class="docutils literal notranslate"><span class="pre">TrajectoryLmdbDataset</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.lmdb_dataset.data_list_collater"><code class="docutils literal notranslate"><span class="pre">data_list_collater()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -645,15 +649,24 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.lmdb_dataset">
-<span id="core-datasets-lmdb-dataset"></span><h1><a class="reference internal" href="#module-core.datasets.lmdb_dataset" title="core.datasets.lmdb_dataset"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a><a class="headerlink" href="#module-core.datasets.lmdb_dataset" title="Link to this heading">#</a></h1>
+<span id="core-datasets-lmdb-dataset"></span><h1>core.datasets.lmdb_dataset<a class="headerlink" href="#module-core.datasets.lmdb_dataset" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_dataset.T_co" title="core.datasets.lmdb_dataset.T_co"><code class="xref py py-obj docutils literal notranslate"><span class="pre">T_co</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_dataset.LmdbDataset" title="core.datasets.lmdb_dataset.LmdbDataset"><code class="xref py py-obj docutils literal notranslate"><span class="pre">LmdbDataset</span></code></a></p></td>
 <td><p>An abstract class representing a <code class="xref py py-class docutils literal notranslate"><span class="pre">Dataset</span></code>.</p></td>
@@ -666,26 +679,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_dataset.data_list_collater" title="core.datasets.lmdb_dataset.data_list_collater"><code class="xref py py-obj docutils literal notranslate"><span class="pre">data_list_collater</span></code></a>(→ torch_geometric.data.data.BaseData)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.lmdb_dataset.T_co" title="core.datasets.lmdb_dataset.T_co"><code class="xref py py-obj docutils literal notranslate"><span class="pre">T_co</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.datasets.lmdb_dataset.T_co">
 <span class="sig-prename descclassname"><span class="pre">core.datasets.lmdb_dataset.</span></span><span class="sig-name descname"><span class="pre">T_co</span></span><a class="headerlink" href="#core.datasets.lmdb_dataset.T_co" title="Link to this definition">#</a></dt>
@@ -807,7 +815,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.datasets.lmdb_dataset.</span></span><span class="sig-name descname"><span class="pre">data_list_collater</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">torch_geometric.data.data.BaseData</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch_geometric.data.data.BaseData</span></span></span><a class="headerlink" href="#core.datasets.lmdb_dataset.data_list_collater" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -838,7 +845,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
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@@ -847,7 +854,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
           <div class="bd-content">
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
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@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,21 +640,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.oc22_lmdb_dataset">
-<span id="core-datasets-oc22-lmdb-dataset"></span><h1><a class="reference internal" href="#module-core.datasets.oc22_lmdb_dataset" title="core.datasets.oc22_lmdb_dataset"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a><a class="headerlink" href="#module-core.datasets.oc22_lmdb_dataset" title="Link to this heading">#</a></h1>
+<span id="core-datasets-oc22-lmdb-dataset"></span><h1>core.datasets.oc22_lmdb_dataset<a class="headerlink" href="#module-core.datasets.oc22_lmdb_dataset" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset" title="core.datasets.oc22_lmdb_dataset.OC22LmdbDataset"><code class="xref py py-obj docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a></p></td>
 <td><p>Dataset class to load from LMDB files containing relaxation</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.datasets.oc22_lmdb_dataset.OC22LmdbDataset">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.datasets.oc22_lmdb_dataset.</span></span><span class="sig-name descname"><span class="pre">OC22LmdbDataset</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">transform</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset" title="Link to this definition">#</a></dt>
@@ -694,7 +700,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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+        <p class="prev-next-title">core.datasets.lmdb_dataset</p>
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+        <p class="prev-next-title">core.datasets.target_metadata_guesser</p>
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@@ -762,15 +767,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__len__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.__getitem__"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.__getitem__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.connect_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.connect_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.oc22_lmdb_dataset.OC22LmdbDataset.close_db"><code class="docutils literal notranslate"><span class="pre">OC22LmdbDataset.close_db()</span></code></a></li>
 </ul>
 </li>
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index 3e314e942..2e4a3bbb2 100644
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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 </form></div>
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+
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths"><code class="docutils literal notranslate"><span class="pre">uniform_atoms_lengths()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_constant_shape"><code class="docutils literal notranslate"><span class="pre">target_constant_shape()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_per_atom"><code class="docutils literal notranslate"><span class="pre">target_per_atom()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_extensive"><code class="docutils literal notranslate"><span class="pre">target_extensive()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_target_metadata"><code class="docutils literal notranslate"><span class="pre">guess_target_metadata()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_property_metadata"><code class="docutils literal notranslate"><span class="pre">guess_property_metadata()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths"><code class="docutils literal notranslate"><span class="pre">uniform_atoms_lengths()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_constant_shape"><code class="docutils literal notranslate"><span class="pre">target_constant_shape()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_per_atom"><code class="docutils literal notranslate"><span class="pre">target_per_atom()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_extensive"><code class="docutils literal notranslate"><span class="pre">target_extensive()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_target_metadata"><code class="docutils literal notranslate"><span class="pre">guess_target_metadata()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_property_metadata"><code class="docutils literal notranslate"><span class="pre">guess_property_metadata()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,12 +639,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.datasets.target_metadata_guesser">
-<span id="core-datasets-target-metadata-guesser"></span><h1><a class="reference internal" href="#module-core.datasets.target_metadata_guesser" title="core.datasets.target_metadata_guesser"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a><a class="headerlink" href="#module-core.datasets.target_metadata_guesser" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-datasets-target-metadata-guesser"></span><h1>core.datasets.target_metadata_guesser<a class="headerlink" href="#module-core.datasets.target_metadata_guesser" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths" title="core.datasets.target_metadata_guesser.uniform_atoms_lengths"><code class="xref py py-obj docutils literal notranslate"><span class="pre">uniform_atoms_lengths</span></code></a>(→ bool)</p></td>
 <td><p></p></td>
@@ -662,6 +664,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.datasets.target_metadata_guesser.uniform_atoms_lengths">
 <span class="sig-prename descclassname"><span class="pre">core.datasets.target_metadata_guesser.</span></span><span class="sig-name descname"><span class="pre">uniform_atoms_lengths</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms_lens</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="headerlink" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths" title="Link to this definition">#</a></dt>
@@ -692,7 +698,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.datasets.target_metadata_guesser.</span></span><span class="sig-name descname"><span class="pre">guess_property_metadata</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms_list</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.datasets.target_metadata_guesser.guess_property_metadata" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -723,7 +728,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -732,7 +737,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></p>
+        <p class="prev-next-title">core.datasets.oc22_lmdb_dataset</p>
       </div>
     </a>
     <a class="right-next"
@@ -740,7 +745,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models</span></code></p>
+        <p class="prev-next-title">core.models</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -760,16 +765,14 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths"><code class="docutils literal notranslate"><span class="pre">uniform_atoms_lengths()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_constant_shape"><code class="docutils literal notranslate"><span class="pre">target_constant_shape()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_per_atom"><code class="docutils literal notranslate"><span class="pre">target_per_atom()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_extensive"><code class="docutils literal notranslate"><span class="pre">target_extensive()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_target_metadata"><code class="docutils literal notranslate"><span class="pre">guess_target_metadata()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_property_metadata"><code class="docutils literal notranslate"><span class="pre">guess_property_metadata()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.uniform_atoms_lengths"><code class="docutils literal notranslate"><span class="pre">uniform_atoms_lengths()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_constant_shape"><code class="docutils literal notranslate"><span class="pre">target_constant_shape()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_per_atom"><code class="docutils literal notranslate"><span class="pre">target_per_atom()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.target_extensive"><code class="docutils literal notranslate"><span class="pre">target_extensive()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_target_metadata"><code class="docutils literal notranslate"><span class="pre">guess_target_metadata()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.datasets.target_metadata_guesser.guess_property_metadata"><code class="docutils literal notranslate"><span class="pre">guess_property_metadata()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -820,8 +823,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/index.html b/autoapi/core/index.html
index 3ce43308c..c073fb080 100644
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+++ b/autoapi/core/index.html
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   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -74,27 +74,23 @@
 
   
   
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           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
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-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l2 current active has-children"><a class="current reference internal" href="#">core</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="common/utils/index.html">core.common.utils</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="datasets/embeddings/index.html">core.datasets.embeddings</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="models/index.html">core.models</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/escn/index.html">core.models.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -627,7 +633,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core">
-<span id="core"></span><h1><a class="reference internal" href="#module-core" title="core"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><a class="headerlink" href="#module-core" title="Link to this heading">#</a></h1>
+<span id="core"></span><h1>core<a class="headerlink" href="#module-core" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -635,155 +641,14 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="common/relaxation/optimizers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.optimizers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="common/relaxation/ase_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ase_utils</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="common/relaxation/ml_relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation.ml_relaxation</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="common/data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="datasets/embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="datasets/embeddings/atomic_radii/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="datasets/embeddings/continuous_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.continuous_embeddings</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="datasets/embeddings/khot_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.khot_embeddings</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="datasets/embeddings/qmof_khot_embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.qmof_khot_embeddings</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/lmdb_database/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="models/equiformer_v2/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/activation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/drop/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/edge_rot_mat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/equiformer_v2_oc20/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/gaussian_rbf/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.gaussian_rbf</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/input_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.input_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/layer_norm/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.layer_norm</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/module_list/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.module_list</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/radial_function/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.radial_function</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/so2_ops/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so2_ops</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so3</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/transformer_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.transformer_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/equiformer_v2/wigner/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.wigner</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/escn/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/escn/so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.so3</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.gemnet</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_gp/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_gp/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.gemnet</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_gp/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_gp/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_oc/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_oc/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_oc/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.initializers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_oc/interaction_indices/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/gemnet_oc/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/painn/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.painn</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/painn/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/scn/sampling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.sampling</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/scn/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.scn</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/scn/smearing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.smearing</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/scn/spherical_harmonics/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.spherical_harmonics</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="models/utils/activations/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.activations</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="models/utils/basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.basis</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="modules/scaling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="modules/scaling/compat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.compat</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="modules/scaling/fit/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="modules/scaling/scale_factor/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="modules/scaling/util/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="modules/evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="modules/exponential_moving_average/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="modules/loss/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="modules/normalizer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="modules/scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="modules/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="preprocessing/atoms_to_graphs/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="scripts/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="scripts/hpo/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="scripts/hpo/run_tune/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="scripts/hpo/run_tune_pbt/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/download_data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/gif_maker_parallelized/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/make_challenge_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/make_lmdb_sizes/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/make_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/preprocess_ef/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/preprocess_relaxed/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scripts/uncompress/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="tasks/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="tasks/task/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="trainers/base_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="trainers/ocp_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="common/index.html">core.common</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/index.html">core.datasets</a></li>
+<li class="toctree-l1"><a class="reference internal" href="models/index.html">core.models</a></li>
+<li class="toctree-l1"><a class="reference internal" href="modules/index.html">core.modules</a></li>
+<li class="toctree-l1"><a class="reference internal" href="preprocessing/index.html">core.preprocessing</a></li>
+<li class="toctree-l1"><a class="reference internal" href="scripts/index.html">core.scripts</a></li>
+<li class="toctree-l1"><a class="reference internal" href="tasks/index.html">core.tasks</a></li>
+<li class="toctree-l1"><a class="reference internal" href="trainers/index.html">core.trainers</a></li>
 </ul>
 </div>
 </section>
@@ -791,7 +656,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="_cli/index.html">core._cli</a></li>
 </ul>
 </div>
 </section>
@@ -824,7 +689,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -841,7 +706,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></p>
+        <p class="prev-next-title">core.common</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -911,8 +776,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
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diff --git a/autoapi/core/models/base/index.html b/autoapi/core/models/base/index.html
index b5ada9cb0..206123d9b 100644
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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             <div class="bd-article-container">
               
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
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 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel"><code class="docutils literal notranslate"><span class="pre">BaseModel</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.num_params"><code class="docutils literal notranslate"><span class="pre">BaseModel.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.forward"><code class="docutils literal notranslate"><span class="pre">BaseModel.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.generate_graph"><code class="docutils literal notranslate"><span class="pre">BaseModel.generate_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">BaseModel.no_weight_decay()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel"><code class="docutils literal notranslate"><span class="pre">BaseModel</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.forward"><code class="docutils literal notranslate"><span class="pre">BaseModel.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.generate_graph"><code class="docutils literal notranslate"><span class="pre">BaseModel.generate_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.num_params"><code class="docutils literal notranslate"><span class="pre">BaseModel.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">BaseModel.no_weight_decay()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,21 +640,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.base">
-<span id="core-models-base"></span><h1><a class="reference internal" href="#module-core.models.base" title="core.models.base"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a><a class="headerlink" href="#module-core.models.base" title="Link to this heading">#</a></h1>
+<span id="core-models-base"></span><h1>core.models.base<a class="headerlink" href="#module-core.models.base" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.base.BaseModel" title="core.models.base.BaseModel"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BaseModel</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.base.BaseModel">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.base.</span></span><span class="sig-name descname"><span class="pre">BaseModel</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.base.BaseModel" title="Link to this definition">#</a></dt>
@@ -686,11 +692,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 evaluation mode.</p>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.base.BaseModel.num_params">
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-<dd></dd></dl>
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@@ -701,6 +702,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">generate_graph</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enforce_max_neighbors_strictly</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.base.BaseModel.generate_graph" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.base.BaseModel.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.base.BaseModel.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
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 <dt class="sig sig-object py" id="core.models.base.BaseModel.no_weight_decay">
 <span class="sig-name descname"><span class="pre">no_weight_decay</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">list</span></span></span><a class="headerlink" href="#core.models.base.BaseModel.no_weight_decay" title="Link to this definition">#</a></dt>
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -749,7 +754,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.basis</span></code></p>
+        <p class="prev-next-title">core.models.utils.basis</p>
       </div>
     </a>
     <a class="right-next"
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></p>
+        <p class="prev-next-title">core.models.dimenet_plus_plus</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel"><code class="docutils literal notranslate"><span class="pre">BaseModel</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.num_params"><code class="docutils literal notranslate"><span class="pre">BaseModel.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.forward"><code class="docutils literal notranslate"><span class="pre">BaseModel.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.generate_graph"><code class="docutils literal notranslate"><span class="pre">BaseModel.generate_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">BaseModel.no_weight_decay()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel"><code class="docutils literal notranslate"><span class="pre">BaseModel</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.forward"><code class="docutils literal notranslate"><span class="pre">BaseModel.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.generate_graph"><code class="docutils literal notranslate"><span class="pre">BaseModel.generate_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.num_params"><code class="docutils literal notranslate"><span class="pre">BaseModel.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.base.BaseModel.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">BaseModel.no_weight_decay()</span></code></a></li>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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 </form></div>
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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@@ -139,6 +140,8 @@
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
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-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,33 +617,31 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.sym"><code class="docutils literal notranslate"><span class="pre">sym</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.sym"><code class="docutils literal notranslate"><span class="pre">sym</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.url"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.url</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.reset_parameters"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.triplets"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.url"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.url</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.reset_parameters"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.triplets"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -654,7 +658,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.dimenet_plus_plus">
-<span id="core-models-dimenet-plus-plus"></span><h1><a class="reference internal" href="#module-core.models.dimenet_plus_plus" title="core.models.dimenet_plus_plus"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a><a class="headerlink" href="#module-core.models.dimenet_plus_plus" title="Link to this heading">#</a></h1>
+<span id="core-models-dimenet-plus-plus"></span><h1>core.models.dimenet_plus_plus<a class="headerlink" href="#module-core.models.dimenet_plus_plus" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -678,11 +682,20 @@ <h2> Contents </h2>
 LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
 OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
 THE SOFTWARE.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.dimenet_plus_plus.sym" title="core.models.dimenet_plus_plus.sym"><code class="xref py py-obj docutils literal notranslate"><span class="pre">sym</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.dimenet_plus_plus.InteractionPPBlock" title="core.models.dimenet_plus_plus.InteractionPPBlock"><code class="xref py py-obj docutils literal notranslate"><span class="pre">InteractionPPBlock</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -698,19 +711,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.dimenet_plus_plus.sym" title="core.models.dimenet_plus_plus.sym"><code class="xref py py-obj docutils literal notranslate"><span class="pre">sym</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.dimenet_plus_plus.sym">
-<span class="sig-prename descclassname"><span class="pre">core.models.dimenet_plus_plus.</span></span><span class="sig-name descname"><span class="pre">sym</span></span><a class="headerlink" href="#core.models.dimenet_plus_plus.sym" title="Link to this definition">#</a></dt>
+<span class="sig-prename descclassname"><span class="pre">core.models.dimenet_plus_plus.</span></span><span class="sig-name descname"><span class="pre">sym</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.models.dimenet_plus_plus.sym" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py class">
@@ -891,11 +898,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward">
 <span class="sig-name descname"><span class="pre">_forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward" title="Link to this definition">#</a></dt>
@@ -906,9 +908,13 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -939,7 +945,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -948,7 +954,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></p>
+        <p class="prev-next-title">core.models.base</p>
       </div>
     </a>
     <a class="right-next"
@@ -956,7 +962,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></p>
+        <p class="prev-next-title">core.models.model_registry</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -976,33 +982,31 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.sym"><code class="docutils literal notranslate"><span class="pre">sym</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.sym"><code class="docutils literal notranslate"><span class="pre">sym</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.InteractionPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionPPBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.url"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.url</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.reset_parameters"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.triplets"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.OutputPPBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputPPBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.num_params"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.url"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.url</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.reset_parameters"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.triplets"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlus.forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlus.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.dimenet_plus_plus.DimeNetPlusPlusWrap._forward"><code class="docutils literal notranslate"><span class="pre">DimeNetPlusPlusWrap._forward()</span></code></a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 </div></div>
       
     </div>
@@ -611,47 +617,45 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.extra_repr()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SwiGLU"><code class="docutils literal notranslate"><span class="pre">SwiGLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SwiGLU.forward"><code class="docutils literal notranslate"><span class="pre">SwiGLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU.forward"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SwiGLU"><code class="docutils literal notranslate"><span class="pre">SwiGLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SwiGLU.forward"><code class="docutils literal notranslate"><span class="pre">SwiGLU.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU.forward"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SmoothLeakyReLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">SmoothLeakyReLU.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSigmoid"><code class="docutils literal notranslate"><span class="pre">ScaledSigmoid</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSigmoid.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSigmoid.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSmoothLeakyReLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSmoothLeakyReLU.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.GateActivation"><code class="docutils literal notranslate"><span class="pre">GateActivation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.GateActivation.forward"><code class="docutils literal notranslate"><span class="pre">GateActivation.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSigmoid"><code class="docutils literal notranslate"><span class="pre">ScaledSigmoid</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSigmoid.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSigmoid.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.S2Activation"><code class="docutils literal notranslate"><span class="pre">S2Activation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.S2Activation.forward"><code class="docutils literal notranslate"><span class="pre">S2Activation.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.GateActivation"><code class="docutils literal notranslate"><span class="pre">GateActivation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.GateActivation.forward"><code class="docutils literal notranslate"><span class="pre">GateActivation.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SeparableS2Activation"><code class="docutils literal notranslate"><span class="pre">SeparableS2Activation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SeparableS2Activation.forward"><code class="docutils literal notranslate"><span class="pre">SeparableS2Activation.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.S2Activation"><code class="docutils literal notranslate"><span class="pre">S2Activation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.S2Activation.forward"><code class="docutils literal notranslate"><span class="pre">S2Activation.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SeparableS2Activation"><code class="docutils literal notranslate"><span class="pre">SeparableS2Activation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.SeparableS2Activation.forward"><code class="docutils literal notranslate"><span class="pre">SeparableS2Activation.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -668,12 +672,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.activation">
-<span id="core-models-equiformer-v2-activation"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.activation" title="core.models.equiformer_v2.activation"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.activation" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-models-equiformer-v2-activation"></span><h1>core.models.equiformer_v2.activation<a class="headerlink" href="#module-core.models.equiformer_v2.activation" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.activation.ScaledSiLU" title="core.models.equiformer_v2.activation.ScaledSiLU"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -704,6 +706,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.activation.ScaledSiLU">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.activation.</span></span><span class="sig-name descname"><span class="pre">ScaledSiLU</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">inplace</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.activation.ScaledSiLU" title="Link to this definition">#</a></dt>
@@ -1081,7 +1087,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.lr_scheduler</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers.lr_scheduler</p>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.drop</p>
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@@ -1149,47 +1154,45 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.extra_repr()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSwiGLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSwiGLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.activation.ScaledSiLU.extra_repr"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.extra_repr()</span></code></a></li>
 </ul>
 </li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,34 +617,32 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.drop_path"><code class="docutils literal notranslate"><span class="pre">drop_path()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath"><code class="docutils literal notranslate"><span class="pre">DropPath</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.forward"><code class="docutils literal notranslate"><span class="pre">DropPath.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">DropPath.extra_repr()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath"><code class="docutils literal notranslate"><span class="pre">GraphDropPath</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.forward"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.drop_path"><code class="docutils literal notranslate"><span class="pre">drop_path()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath"><code class="docutils literal notranslate"><span class="pre">DropPath</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.forward"><code class="docutils literal notranslate"><span class="pre">DropPath.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">DropPath.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath"><code class="docutils literal notranslate"><span class="pre">GraphDropPath</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.forward"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.extra_repr()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.extra_repr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -655,14 +659,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.drop">
-<span id="core-models-equiformer-v2-drop"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.drop" title="core.models.equiformer_v2.drop"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.drop" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2-drop"></span><h1>core.models.equiformer_v2.drop<a class="headerlink" href="#module-core.models.equiformer_v2.drop" title="Link to this heading">#</a></h1>
 <p>Add <cite>extra_repr</cite> into DropPath implemented by timm
 for displaying more info.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.drop.DropPath" title="core.models.equiformer_v2.drop.DropPath"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DropPath</span></code></a></p></td>
 <td><p>Drop paths (Stochastic Depth) per sample  (when applied in main path of residual blocks).</p></td>
@@ -681,16 +683,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.drop.drop_path" title="core.models.equiformer_v2.drop.drop_path"><code class="xref py py-obj docutils literal notranslate"><span class="pre">drop_path</span></code></a>(→ torch.Tensor)</p></td>
 <td><p>Drop paths (Stochastic Depth) per sample (when applied in main path of residual blocks).</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.drop.drop_path">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.drop.</span></span><span class="sig-name descname"><span class="pre">drop_path</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_prob</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">training</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.equiformer_v2.drop.drop_path" title="Link to this definition">#</a></dt>
@@ -888,7 +895,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -919,7 +925,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.activation</p>
       </div>
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     <a class="right-next"
@@ -936,7 +942,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.edge_rot_mat</p>
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@@ -956,34 +962,32 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.drop_path"><code class="docutils literal notranslate"><span class="pre">drop_path()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath"><code class="docutils literal notranslate"><span class="pre">DropPath</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.forward"><code class="docutils literal notranslate"><span class="pre">DropPath.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">DropPath.extra_repr()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath"><code class="docutils literal notranslate"><span class="pre">GraphDropPath</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.forward"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.drop_path"><code class="docutils literal notranslate"><span class="pre">drop_path()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath"><code class="docutils literal notranslate"><span class="pre">DropPath</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.forward"><code class="docutils literal notranslate"><span class="pre">DropPath.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.DropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">DropPath.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath"><code class="docutils literal notranslate"><span class="pre">GraphDropPath</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.forward"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.GraphDropPath.extra_repr"><code class="docutils literal notranslate"><span class="pre">GraphDropPath.extra_repr()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropout.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.extra_repr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantScalarsDropout.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantScalarsDropout.extra_repr()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.drop.EquivariantDropoutArraySphericalHarmonics.extra_repr"><code class="docutils literal notranslate"><span class="pre">EquivariantDropoutArraySphericalHarmonics.extra_repr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1036,8 +1040,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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index 9fc5b1c73..76f0c521d 100644
--- a/autoapi/core/models/equiformer_v2/edge_rot_mat/index.html
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">init_edge_rot_mat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">init_edge_rot_mat()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,24 +634,25 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.edge_rot_mat">
-<span id="core-models-equiformer-v2-edge-rot-mat"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.edge_rot_mat" title="core.models.equiformer_v2.edge_rot_mat"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.edge_rot_mat" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-models-equiformer-v2-edge-rot-mat"></span><h1>core.models.equiformer_v2.edge_rot_mat<a class="headerlink" href="#module-core.models.equiformer_v2.edge_rot_mat" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat" title="core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat"><code class="xref py py-obj docutils literal notranslate"><span class="pre">init_edge_rot_mat</span></code></a>(edge_distance_vec)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.edge_rot_mat.</span></span><span class="sig-name descname"><span class="pre">init_edge_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_distance_vec</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -678,7 +683,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -687,7 +692,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.drop</p>
       </div>
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     <a class="right-next"
@@ -695,7 +700,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.equiformer_v2_oc20</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -715,11 +720,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">init_edge_rot_mat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.edge_rot_mat.init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">init_edge_rot_mat()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -770,8 +773,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES"><code class="docutils literal notranslate"><span class="pre">_AVG_NUM_NODES</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_DEGREE"><code class="docutils literal notranslate"><span class="pre">_AVG_DEGREE</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._uniform_init_rad_func_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._uniform_init_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.no_weight_decay()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES"><code class="docutils literal notranslate"><span class="pre">_AVG_NUM_NODES</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_DEGREE"><code class="docutils literal notranslate"><span class="pre">_AVG_DEGREE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._uniform_init_rad_func_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._uniform_init_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.no_weight_decay()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -642,22 +646,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.equiformer_v2_oc20">
-<span id="core-models-equiformer-v2-equiformer-v2-oc20"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.equiformer_v2_oc20" title="core.models.equiformer_v2.equiformer_v2_oc20"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.equiformer_v2_oc20" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20" title="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquiformerV2_OC20</span></code></a></p></td>
-<td><p>Equiformer with graph attention built upon SO(2) convolution and feedforward network built upon S2 activation</p></td>
-</tr>
-</tbody>
-</table>
-</section>
+<span id="core-models-equiformer-v2-equiformer-v2-oc20"></span><h1>core.models.equiformer_v2.equiformer_v2_oc20<a class="headerlink" href="#module-core.models.equiformer_v2.equiformer_v2_oc20" title="Link to this heading">#</a></h1>
 <section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES" title="core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_AVG_NUM_NODES</span></code></a></p></td>
 <td><p></p></td>
@@ -667,6 +659,21 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="classes">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20" title="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquiformerV2_OC20</span></code></a></p></td>
+<td><p>Equiformer with graph attention built upon SO(2) convolution and feedforward network built upon S2 activation</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20.</span></span><span class="sig-name descname"><span class="pre">_AVG_NUM_NODES</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">77.81317</span></em><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES" title="Link to this definition">#</a></dt>
@@ -731,11 +738,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.forward">
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.forward" title="Link to this definition">#</a></dt>
@@ -746,6 +748,11 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-name descname"><span class="pre">_init_edge_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_distance_vec</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_edge_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_weights">
 <span class="sig-name descname"><span class="pre">_init_weights</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">m</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_weights" title="Link to this definition">#</a></dt>
@@ -769,7 +776,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -800,7 +806,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -809,7 +815,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.edge_rot_mat</p>
       </div>
     </a>
     <a class="right-next"
@@ -817,7 +823,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.gaussian_rbf</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.gaussian_rbf</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -837,21 +843,19 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_NUM_NODES"><code class="docutils literal notranslate"><span class="pre">_AVG_NUM_NODES</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20._AVG_DEGREE"><code class="docutils literal notranslate"><span class="pre">_AVG_DEGREE</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._init_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.equiformer_v2_oc20.EquiformerV2_OC20._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2_OC20._uniform_init_rad_func_linear_weights()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
       </div>
       
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@@ -440,14 +446,14 @@
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+              <div class="bd-header-article d-print-none">
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@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.gaussian"><code class="docutils literal notranslate"><span class="pre">gaussian()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.extra_repr"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.extra_repr()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.gaussian"><code class="docutils literal notranslate"><span class="pre">gaussian()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.extra_repr"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.extra_repr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,28 +640,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.gaussian_rbf">
-<span id="core-models-equiformer-v2-gaussian-rbf"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.gaussian_rbf" title="core.models.equiformer_v2.gaussian_rbf"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.gaussian_rbf</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.gaussian_rbf" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-models-equiformer-v2-gaussian-rbf"></span><h1>core.models.equiformer_v2.gaussian_rbf<a class="headerlink" href="#module-core.models.equiformer_v2.gaussian_rbf" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer" title="core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.gaussian_rbf.gaussian" title="core.models.equiformer_v2.gaussian_rbf.gaussian"><code class="xref py py-obj docutils literal notranslate"><span class="pre">gaussian</span></code></a>(→ torch.Tensor)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.gaussian_rbf.gaussian">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.gaussian_rbf.</span></span><span class="sig-name descname"><span class="pre">gaussian</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mean</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">std</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.equiformer_v2.gaussian_rbf.gaussian" title="Link to this definition">#</a></dt>
@@ -714,7 +721,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
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 </section>
 </section>
 
@@ -745,7 +751,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
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@@ -754,7 +760,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.equiformer_v2_oc20</p>
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     <a class="right-next"
@@ -762,7 +768,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.input_block</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.input_block</p>
       </div>
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@@ -782,15 +788,13 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.gaussian"><code class="docutils literal notranslate"><span class="pre">gaussian()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.extra_repr"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.extra_repr()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.gaussian"><code class="docutils literal notranslate"><span class="pre">gaussian()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.gaussian_rbf.GaussianRadialBasisLayer.extra_repr"><code class="docutils literal notranslate"><span class="pre">GaussianRadialBasisLayer.extra_repr()</span></code></a></li>
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 </ul>
@@ -843,8 +847,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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diff --git a/autoapi/core/models/equiformer_v2/index.html b/autoapi/core/models/equiformer_v2/index.html
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@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,18 +619,16 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2"><code class="docutils literal notranslate"><span class="pre">EquiformerV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_rad_func_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.no_weight_decay()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2"><code class="docutils literal notranslate"><span class="pre">EquiformerV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_rad_func_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.no_weight_decay()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,17 +645,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2">
-<span id="core-models-equiformer-v2"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2" title="core.models.equiformer_v2"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2"></span><h1>core.models.equiformer_v2<a class="headerlink" href="#module-core.models.equiformer_v2" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="trainers/energy_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="trainers/forces_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="trainers/lr_scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.lr_scheduler</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="trainers/index.html">core.models.equiformer_v2.trainers</a></li>
 </ul>
 </div>
 </section>
@@ -659,33 +658,35 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="activation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="drop/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="edge_rot_mat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="equiformer_v2_oc20/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="gaussian_rbf/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.gaussian_rbf</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="input_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.input_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="layer_norm/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.layer_norm</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="module_list/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.module_list</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="radial_function/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.radial_function</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="so2_ops/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so2_ops</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so3</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="transformer_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.transformer_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="wigner/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.wigner</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="activation/index.html">core.models.equiformer_v2.activation</a></li>
+<li class="toctree-l1"><a class="reference internal" href="drop/index.html">core.models.equiformer_v2.drop</a></li>
+<li class="toctree-l1"><a class="reference internal" href="edge_rot_mat/index.html">core.models.equiformer_v2.edge_rot_mat</a></li>
+<li class="toctree-l1"><a class="reference internal" href="equiformer_v2_oc20/index.html">core.models.equiformer_v2.equiformer_v2_oc20</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gaussian_rbf/index.html">core.models.equiformer_v2.gaussian_rbf</a></li>
+<li class="toctree-l1"><a class="reference internal" href="input_block/index.html">core.models.equiformer_v2.input_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="layer_norm/index.html">core.models.equiformer_v2.layer_norm</a></li>
+<li class="toctree-l1"><a class="reference internal" href="module_list/index.html">core.models.equiformer_v2.module_list</a></li>
+<li class="toctree-l1"><a class="reference internal" href="radial_function/index.html">core.models.equiformer_v2.radial_function</a></li>
+<li class="toctree-l1"><a class="reference internal" href="so2_ops/index.html">core.models.equiformer_v2.so2_ops</a></li>
+<li class="toctree-l1"><a class="reference internal" href="so3/index.html">core.models.equiformer_v2.so3</a></li>
+<li class="toctree-l1"><a class="reference internal" href="transformer_block/index.html">core.models.equiformer_v2.transformer_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="wigner/index.html">core.models.equiformer_v2.wigner</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.EquiformerV2" title="core.models.equiformer_v2.EquiformerV2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquiformerV2</span></code></a></p></td>
 <td><p>Equiformer with graph attention built upon SO(2) convolution and feedforward network built upon S2 activation</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.EquiformerV2">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.</span></span><span class="sig-name descname"><span class="pre">EquiformerV2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">500</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_radius</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">5.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">90</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">12</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_heads</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_alpha_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">32</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_value_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">16</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ffn_hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">512</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">norm_type</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'rms_norm_sh'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">grid_resolution</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sphere_samples</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_atom_edge_embedding</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">share_atom_edge_embedding</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_m_share_rad</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'gaussian'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_distance_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">512</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'scaled_silu'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_s2_act_attn</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_attn_renorm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">ffn_activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'scaled_silu'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gate_act</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_grid_mlp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_sep_s2_act</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha_drop</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_path_rate</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">proj_drop</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">weight_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'normal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enforce_max_neighbors_strictly</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">avg_num_nodes</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">avg_degree</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_energy_lin_ref</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">load_energy_lin_ref</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2" title="Link to this definition">#</a></dt>
@@ -740,11 +741,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.equiformer_v2.EquiformerV2.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.EquiformerV2.forward">
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2.forward" title="Link to this definition">#</a></dt>
@@ -755,6 +751,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">_init_edge_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_distance_vec</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2._init_edge_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.equiformer_v2.EquiformerV2.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.EquiformerV2._init_weights">
 <span class="sig-name descname"><span class="pre">_init_weights</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">m</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.EquiformerV2._init_weights" title="Link to this definition">#</a></dt>
@@ -778,7 +779,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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@@ -809,7 +809,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
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@@ -818,7 +818,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
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+        <p class="prev-next-title">core.models</p>
       </div>
     </a>
     <a class="right-next"
@@ -826,7 +826,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers</p>
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@@ -848,18 +848,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2"><code class="docutils literal notranslate"><span class="pre">EquiformerV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_rad_func_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_linear_weights()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.no_weight_decay()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2"><code class="docutils literal notranslate"><span class="pre">EquiformerV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.forward"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.num_params"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._init_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._init_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_rad_func_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_rad_func_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2._uniform_init_linear_weights"><code class="docutils literal notranslate"><span class="pre">EquiformerV2._uniform_init_linear_weights()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.EquiformerV2.no_weight_decay"><code class="docutils literal notranslate"><span class="pre">EquiformerV2.no_weight_decay()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.input_block.EdgeDegreeEmbedding"><code class="docutils literal notranslate"><span class="pre">EdgeDegreeEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.input_block.EdgeDegreeEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">EdgeDegreeEmbedding.forward()</span></code></a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,36 +617,34 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer"><code class="docutils literal notranslate"><span class="pre">get_normalization_layer()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_l_to_all_m_expand_index"><code class="docutils literal notranslate"><span class="pre">get_l_to_all_m_expand_index()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer"><code class="docutils literal notranslate"><span class="pre">get_normalization_layer()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_l_to_all_m_expand_index"><code class="docutils literal notranslate"><span class="pre">get_l_to_all_m_expand_index()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -657,16 +661,14 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.layer_norm">
-<span id="core-models-equiformer-v2-layer-norm"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.layer_norm" title="core.models.equiformer_v2.layer_norm"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.layer_norm</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.layer_norm" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2-layer-norm"></span><h1>core.models.equiformer_v2.layer_norm<a class="headerlink" href="#module-core.models.equiformer_v2.layer_norm" title="Link to this heading">#</a></h1>
 <p>1. Normalize features of shape (N, sphere_basis, C),
 with sphere_basis = (lmax + 1) ** 2.</p>
 <p>2. The difference from <cite>layer_norm.py</cite> is that all type-L vectors have
 the same number of channels and input features are of shape (N, sphere_basis, C).</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray" title="core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquivariantLayerNormArray</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -697,10 +699,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer" title="core.models.equiformer_v2.layer_norm.get_normalization_layer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_normalization_layer</span></code></a>(norm_type, lmax, num_channels)</p></td>
 <td><p></p></td>
@@ -710,6 +713,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.layer_norm.get_normalization_layer">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.layer_norm.</span></span><span class="sig-name descname"><span class="pre">get_normalization_layer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">norm_type</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">affine</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">normalization</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'component'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer" title="Link to this definition">#</a></dt>
@@ -856,7 +863,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
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@@ -887,7 +893,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer"><code class="docutils literal notranslate"><span class="pre">get_normalization_layer()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_l_to_all_m_expand_index"><code class="docutils literal notranslate"><span class="pre">get_l_to_all_m_expand_index()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_normalization_layer"><code class="docutils literal notranslate"><span class="pre">get_normalization_layer()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.get_l_to_all_m_expand_index"><code class="docutils literal notranslate"><span class="pre">get_l_to_all_m_expand_index()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArray.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArray.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantLayerNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantLayerNormArraySphericalHarmonics.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonics.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonics.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantRMSNormArraySphericalHarmonicsV2.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantRMSNormArraySphericalHarmonicsV2.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.__repr__"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.layer_norm.EquivariantDegreeLayerScale.forward"><code class="docutils literal notranslate"><span class="pre">EquivariantDegreeLayerScale.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1006,8 +1010,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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--- a/autoapi/core/models/equiformer_v2/module_list/index.html
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.module_list.ModuleListInfo"><code class="docutils literal notranslate"><span class="pre">ModuleListInfo</span></code></a><ul class="nav section-nav flex-column">
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.module_list.ModuleListInfo"><code class="docutils literal notranslate"><span class="pre">ModuleListInfo</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.module_list.ModuleListInfo.__repr__"><code class="docutils literal notranslate"><span class="pre">ModuleListInfo.__repr__()</span></code></a></li>
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@@ -633,18 +637,20 @@ <h2> Contents </h2>
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 <td><p>Contruct a radial function (linear layers + layer normalization + SiLU) given a list of channels</p></td>
 </tr>
 </tbody>
 </table>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so2_ops.SO2_Convolution"><code class="docutils literal notranslate"><span class="pre">SO2_Convolution</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so2_ops.SO2_Convolution.forward"><code class="docutils literal notranslate"><span class="pre">SO2_Convolution.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so2_ops.SO2_Linear.forward"><code class="docutils literal notranslate"><span class="pre">SO2_Linear.forward()</span></code></a></li>
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-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
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 <section id="classes">
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 <td><p>SO(2) Conv: Perform an SO(2) convolution on features corresponding to +- m</p></td>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so2_ops.SO2_Convolution.forward"><code class="docutils literal notranslate"><span class="pre">SO2_Convolution.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule</span></code></a><ul class="nav section-nav flex-column">
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 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.set_wigner"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_wigner()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.set_wigner"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_wigner()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear"><code class="docutils literal notranslate"><span class="pre">SO3_Linear</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.forward"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.__repr__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.forward"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.__repr__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear"><code class="docutils literal notranslate"><span class="pre">SO3_Linear</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.forward"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.__repr__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.forward"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.__repr__()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -676,15 +680,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.so3">
-<span id="core-models-equiformer-v2-so3"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.so3" title="core.models.equiformer_v2.so3"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so3</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.so3" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2-so3"></span><h1>core.models.equiformer_v2.so3<a class="headerlink" href="#module-core.models.equiformer_v2.so3" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.so3.CoefficientMappingModule" title="core.models.equiformer_v2.so3.CoefficientMappingModule"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CoefficientMappingModule</span></code></a></p></td>
 <td><p>Helper module for coefficients used to reshape lval &lt;--&gt; m and to get coefficients of specific degree or order</p></td>
@@ -706,6 +708,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.so3.CoefficientMappingModule">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.so3.</span></span><span class="sig-name descname"><span class="pre">CoefficientMappingModule</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">lmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.so3.CoefficientMappingModule" title="Link to this definition">#</a></dt>
@@ -989,7 +995,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1020,7 +1025,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -1029,7 +1034,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so2_ops</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.so2_ops</p>
       </div>
     </a>
     <a class="right-next"
@@ -1037,7 +1042,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.transformer_block</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.transformer_block</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -1057,55 +1062,53 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.complex_idx()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.coefficient_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.coefficient_idx()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.get_rotate_inv_rescale"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.get_rotate_inv_rescale()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.__repr__"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.__repr__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.complex_idx()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.coefficient_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.coefficient_idx()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.get_rotate_inv_rescale"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.get_rotate_inv_rescale()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.CoefficientMappingModule.__repr__"><code class="docutils literal notranslate"><span class="pre">CoefficientMappingModule.__repr__()</span></code></a></li>
 </ul>
 </li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.set_wigner"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_wigner()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear"><code class="docutils literal notranslate"><span class="pre">SO3_Linear</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.forward"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_Linear.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_Linear.__repr__()</span></code></a></li>
 </ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.forward"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.so3.SO3_LinearV2.__repr__"><code class="docutils literal notranslate"><span class="pre">SO3_LinearV2.__repr__()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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@@ -440,14 +446,14 @@
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   <span class="fa-solid fa-bars"></span>
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@@ -572,10 +578,10 @@
 
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer.load_extras()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer.load_extras()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,24 +637,26 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.trainers.energy_trainer">
-<span id="core-models-equiformer-v2-trainers-energy-trainer"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.trainers.energy_trainer" title="core.models.equiformer_v2.trainers.energy_trainer"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.trainers.energy_trainer" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2-trainers-energy-trainer"></span><h1>core.models.equiformer_v2.trainers.energy_trainer<a class="headerlink" href="#module-core.models.equiformer_v2.trainers.energy_trainer" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer" title="core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer</span></code></a></p></td>
 <td><p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer.</span></span><span class="sig-name descname"><span class="pre">EquiformerV2EnergyTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_fns</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eval_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer.</span></span><span class="sig-name descname"><span class="pre">EquiformerV2EnergyTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">fairchem.core.trainers.OCPTrainer</span></code></p>
 <p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to
 Relaxed State (IS2RS) tasks.</p>
@@ -668,8 +674,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <li><p><strong>outputs</strong> (<em>dict</em>) – Output property configuration.</p></li>
 <li><p><strong>dataset</strong> (<em>dict</em>) – Dataset configuration. The dataset needs to be a SinglePointLMDB dataset.</p></li>
 <li><p><strong>optimizer</strong> (<em>dict</em>) – Optimizer configuration.</p></li>
-<li><p><strong>loss_fns</strong> (<em>dict</em>) – Loss function configuration.</p></li>
-<li><p><strong>eval_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
+<li><p><strong>loss_functions</strong> (<em>dict</em>) – Loss function configuration.</p></li>
+<li><p><strong>evaluation_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
 <li><p><strong>identifier</strong> (<em>str</em>) – Experiment identifier that is appended to log directory.</p></li>
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 (default: <code class="xref py py-obj docutils literal notranslate"><span class="pre">None</span></code>)</p></li>
@@ -698,7 +704,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-</section>
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@@ -729,7 +734,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
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@@ -738,7 +743,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers</p>
       </div>
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@@ -746,7 +751,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers.forces_trainer</p>
       </div>
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@@ -766,12 +771,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer.load_extras()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.energy_trainer.EquiformerV2EnergyTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2EnergyTrainer.load_extras()</span></code></a></li>
 </ul>
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@@ -824,8 +827,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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diff --git a/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.html b/autoapi/core/models/equiformer_v2/trainers/forces_trainer/index.html
index 84e4830e7..35a4b01b0 100644
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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 </form></div>
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+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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@@ -440,14 +446,14 @@
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer.load_extras()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer.load_extras()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,24 +637,26 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.trainers.forces_trainer">
-<span id="core-models-equiformer-v2-trainers-forces-trainer"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.trainers.forces_trainer" title="core.models.equiformer_v2.trainers.forces_trainer"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.trainers.forces_trainer" title="Link to this heading">#</a></h1>
+<span id="core-models-equiformer-v2-trainers-forces-trainer"></span><h1>core.models.equiformer_v2.trainers.forces_trainer<a class="headerlink" href="#module-core.models.equiformer_v2.trainers.forces_trainer" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer" title="core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer</span></code></a></p></td>
 <td><p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer">
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+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer.</span></span><span class="sig-name descname"><span class="pre">EquiformerV2ForcesTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">fairchem.core.trainers.OCPTrainer</span></code></p>
 <p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to
 Relaxed State (IS2RS) tasks.</p>
@@ -668,8 +674,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <li><p><strong>outputs</strong> (<em>dict</em>) – Output property configuration.</p></li>
 <li><p><strong>dataset</strong> (<em>dict</em>) – Dataset configuration. The dataset needs to be a SinglePointLMDB dataset.</p></li>
 <li><p><strong>optimizer</strong> (<em>dict</em>) – Optimizer configuration.</p></li>
-<li><p><strong>loss_fns</strong> (<em>dict</em>) – Loss function configuration.</p></li>
-<li><p><strong>eval_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
+<li><p><strong>loss_functions</strong> (<em>dict</em>) – Loss function configuration.</p></li>
+<li><p><strong>evaluation_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
 <li><p><strong>identifier</strong> (<em>str</em>) – Experiment identifier that is appended to log directory.</p></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer.load_extras()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.forces_trainer.EquiformerV2ForcesTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">EquiformerV2ForcesTrainer.load_extras()</span></code></a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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   <section id="module-core.models.equiformer_v2.trainers">
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+<span id="core-models-equiformer-v2-trainers"></span><h1>core.models.equiformer_v2.trainers<a class="headerlink" href="#module-core.models.equiformer_v2.trainers" title="Link to this heading">#</a></h1>
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+<li class="toctree-l1"><a class="reference internal" href="forces_trainer/index.html">core.models.equiformer_v2.trainers.forces_trainer</a></li>
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+                <footer class="prev-next-footer d-print-none">
                   
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@@ -673,7 +679,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2</p>
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@@ -681,7 +687,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers.energy_trainer</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+
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+
   
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+    
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 document.write(`
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,26 +617,24 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply"><code class="docutils literal notranslate"><span class="pre">multiply()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.cosine_lr_lambda"><code class="docutils literal notranslate"><span class="pre">cosine_lr_lambda()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multistep_lr_lambda"><code class="docutils literal notranslate"><span class="pre">multistep_lr_lambda()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply"><code class="docutils literal notranslate"><span class="pre">multiply()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.cosine_lr_lambda"><code class="docutils literal notranslate"><span class="pre">cosine_lr_lambda()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multistep_lr_lambda"><code class="docutils literal notranslate"><span class="pre">multistep_lr_lambda()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -647,12 +651,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.trainers.lr_scheduler">
-<span id="core-models-equiformer-v2-trainers-lr-scheduler"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.trainers.lr_scheduler" title="core.models.equiformer_v2.trainers.lr_scheduler"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.lr_scheduler</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.trainers.lr_scheduler" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-models-equiformer-v2-trainers-lr-scheduler"></span><h1>core.models.equiformer_v2.trainers.lr_scheduler<a class="headerlink" href="#module-core.models.equiformer_v2.trainers.lr_scheduler" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda" title="core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CosineLRLambda</span></code></a></p></td>
 <td><p></p></td>
@@ -666,10 +668,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply" title="core.models.equiformer_v2.trainers.lr_scheduler.multiply"><code class="xref py py-obj docutils literal notranslate"><span class="pre">multiply</span></code></a>(obj, num)</p></td>
 <td><p></p></td>
@@ -682,6 +685,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.trainers.lr_scheduler.multiply">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.trainers.lr_scheduler.</span></span><span class="sig-name descname"><span class="pre">multiply</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">obj</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply" title="Link to this definition">#</a></dt>
@@ -785,7 +792,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -816,7 +822,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
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@@ -825,7 +831,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.trainers.forces_trainer</p>
       </div>
     </a>
     <a class="right-next"
@@ -833,7 +839,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.activation</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -853,26 +859,24 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply"><code class="docutils literal notranslate"><span class="pre">multiply()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.cosine_lr_lambda"><code class="docutils literal notranslate"><span class="pre">cosine_lr_lambda()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multistep_lr_lambda"><code class="docutils literal notranslate"><span class="pre">multistep_lr_lambda()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multiply"><code class="docutils literal notranslate"><span class="pre">multiply()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.cosine_lr_lambda"><code class="docutils literal notranslate"><span class="pre">cosine_lr_lambda()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.CosineLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">CosineLRLambda.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.multistep_lr_lambda"><code class="docutils literal notranslate"><span class="pre">multistep_lr_lambda()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.MultistepLRLambda.__call__"><code class="docutils literal notranslate"><span class="pre">MultistepLRLambda.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.trainers.lr_scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -925,8 +929,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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+<link href="../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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@@ -611,20 +617,18 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention.forward"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork.forward"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention.forward"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2"><code class="docutils literal notranslate"><span class="pre">TransBlockV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2.forward"><code class="docutils literal notranslate"><span class="pre">TransBlockV2.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork.forward"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork.forward()</span></code></a></li>
 </ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2"><code class="docutils literal notranslate"><span class="pre">TransBlockV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2.forward"><code class="docutils literal notranslate"><span class="pre">TransBlockV2.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,12 +645,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.transformer_block">
-<span id="core-models-equiformer-v2-transformer-block"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.transformer_block" title="core.models.equiformer_v2.transformer_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.transformer_block</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.transformer_block" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-models-equiformer-v2-transformer-block"></span><h1>core.models.equiformer_v2.transformer_block<a class="headerlink" href="#module-core.models.equiformer_v2.transformer_block" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention" title="core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention</span></code></a></p></td>
 <td><p>SO2EquivariantGraphAttention: Perform MLP attention + non-linear message passing</p></td>
@@ -664,6 +666,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.transformer_block.</span></span><span class="sig-name descname"><span class="pre">SO2EquivariantGraphAttention</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_heads</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_alpha_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">attn_value_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">SO3_rotation</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mappingReduced</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">SO3_grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_channels_list</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_atom_edge_embedding</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_m_share_rad</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'scaled_silu'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_s2_act_attn</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_attn_renorm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_gate_act</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_sep_s2_act</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha_drop</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.0</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention" title="Link to this definition">#</a></dt>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention.forward"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention.forward()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork.forward"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.SO2EquivariantGraphAttention.forward"><code class="docutils literal notranslate"><span class="pre">SO2EquivariantGraphAttention.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2"><code class="docutils literal notranslate"><span class="pre">TransBlockV2</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2.forward"><code class="docutils literal notranslate"><span class="pre">TransBlockV2.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.FeedForwardNetwork.forward"><code class="docutils literal notranslate"><span class="pre">FeedForwardNetwork.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2"><code class="docutils literal notranslate"><span class="pre">TransBlockV2</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.transformer_block.TransBlockV2.forward"><code class="docutils literal notranslate"><span class="pre">TransBlockV2.forward()</span></code></a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+              <div class="bd-header-article d-print-none">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button></div>
       
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
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+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
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@@ -633,31 +637,34 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.equiformer_v2.wigner">
-<span id="core-models-equiformer-v2-wigner"></span><h1><a class="reference internal" href="#module-core.models.equiformer_v2.wigner" title="core.models.equiformer_v2.wigner"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.wigner</span></code></a><a class="headerlink" href="#module-core.models.equiformer_v2.wigner" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="core-models-equiformer-v2-wigner"></span><h1>core.models.equiformer_v2.wigner<a class="headerlink" href="#module-core.models.equiformer_v2.wigner" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner.wigner_D" title="core.models.equiformer_v2.wigner.wigner_D"><code class="xref py py-obj docutils literal notranslate"><span class="pre">wigner_D</span></code></a>(→ torch.Tensor)</p></td>
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-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner._z_rot_mat" title="core.models.equiformer_v2.wigner._z_rot_mat"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_z_rot_mat</span></code></a>(→ torch.Tensor)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner._Jd" title="core.models.equiformer_v2.wigner._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
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+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner._Jd" title="core.models.equiformer_v2.wigner._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner.wigner_D" title="core.models.equiformer_v2.wigner.wigner_D"><code class="xref py py-obj docutils literal notranslate"><span class="pre">wigner_D</span></code></a>(→ torch.Tensor)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.models.equiformer_v2.wigner._z_rot_mat" title="core.models.equiformer_v2.wigner._z_rot_mat"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_z_rot_mat</span></code></a>(→ torch.Tensor)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.equiformer_v2.wigner._Jd">
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.wigner.</span></span><span class="sig-name descname"><span class="pre">_Jd</span></span><a class="headerlink" href="#core.models.equiformer_v2.wigner._Jd" title="Link to this definition">#</a></dt>
@@ -673,7 +680,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.models.equiformer_v2.wigner.</span></span><span class="sig-name descname"><span class="pre">_z_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">angle</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lv</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.equiformer_v2.wigner._z_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
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@@ -704,7 +710,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.equiformer_v2.wigner._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
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@@ -611,42 +617,40 @@ <h2> Contents </h2>
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             <nav aria-label="Page">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock"><code class="docutils literal notranslate"><span class="pre">ForceBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock.forward"><code class="docutils literal notranslate"><span class="pre">ForceBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -663,15 +667,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.escn.escn">
-<span id="core-models-escn-escn"></span><h1><a class="reference internal" href="#module-core.models.escn.escn" title="core.models.escn.escn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></a><a class="headerlink" href="#module-core.models.escn.escn" title="Link to this heading">#</a></h1>
+<span id="core-models-escn-escn"></span><h1>core.models.escn.escn<a class="headerlink" href="#module-core.models.escn.escn" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.escn.escn.eSCN" title="core.models.escn.escn.eSCN"><code class="xref py py-obj docutils literal notranslate"><span class="pre">eSCN</span></code></a></p></td>
 <td><p>Equivariant Spherical Channel Network</p></td>
@@ -699,6 +701,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.escn.escn.eSCN">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.escn.escn.</span></span><span class="sig-name descname"><span class="pre">eSCN</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">40</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">90</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">256</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_grid</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sphere_samples</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'gaussian'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">basis_width_scalar</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_resolution</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.02</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">show_timing_info</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.escn.eSCN" title="Link to this definition">#</a></dt>
@@ -728,11 +734,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.escn.escn.eSCN.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.escn.escn.eSCN.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.escn.escn.eSCN.forward">
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.escn.eSCN.forward" title="Link to this definition">#</a></dt>
@@ -743,6 +744,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">_init_edge_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_distance_vec</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.escn.eSCN._init_edge_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.escn.escn.eSCN.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.escn.escn.eSCN.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
 <dl class="py class">
@@ -914,7 +920,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -945,7 +950,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -954,7 +959,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></p>
+        <p class="prev-next-title">core.models.escn</p>
       </div>
     </a>
     <a class="right-next"
@@ -962,7 +967,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.so3</span></code></p>
+        <p class="prev-next-title">core.models.escn.so3</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -982,42 +987,40 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.LayerBlock"><code class="docutils literal notranslate"><span class="pre">LayerBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.LayerBlock.forward"><code class="docutils literal notranslate"><span class="pre">LayerBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.MessageBlock.forward"><code class="docutils literal notranslate"><span class="pre">MessageBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.LayerBlock"><code class="docutils literal notranslate"><span class="pre">LayerBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.LayerBlock.forward"><code class="docutils literal notranslate"><span class="pre">LayerBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Block"><code class="docutils literal notranslate"><span class="pre">SO2Block</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Block.forward"><code class="docutils literal notranslate"><span class="pre">SO2Block.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.MessageBlock.forward"><code class="docutils literal notranslate"><span class="pre">MessageBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Conv"><code class="docutils literal notranslate"><span class="pre">SO2Conv</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Conv.forward"><code class="docutils literal notranslate"><span class="pre">SO2Conv.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Block"><code class="docutils literal notranslate"><span class="pre">SO2Block</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Block.forward"><code class="docutils literal notranslate"><span class="pre">SO2Block.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Conv"><code class="docutils literal notranslate"><span class="pre">SO2Conv</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.SO2Conv.forward"><code class="docutils literal notranslate"><span class="pre">SO2Conv.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EnergyBlock"><code class="docutils literal notranslate"><span class="pre">EnergyBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EnergyBlock.forward"><code class="docutils literal notranslate"><span class="pre">EnergyBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock"><code class="docutils literal notranslate"><span class="pre">ForceBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock.forward"><code class="docutils literal notranslate"><span class="pre">ForceBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EnergyBlock"><code class="docutils literal notranslate"><span class="pre">EnergyBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.EnergyBlock.forward"><code class="docutils literal notranslate"><span class="pre">EnergyBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock"><code class="docutils literal notranslate"><span class="pre">ForceBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.escn.ForceBlock.forward"><code class="docutils literal notranslate"><span class="pre">ForceBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1070,8 +1073,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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-</li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
 </div></div>
       
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@@ -612,14 +618,12 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,27 +640,29 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.escn">
-<span id="core-models-escn"></span><h1><a class="reference internal" href="#module-core.models.escn" title="core.models.escn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a><a class="headerlink" href="#module-core.models.escn" title="Link to this heading">#</a></h1>
+<span id="core-models-escn"></span><h1>core.models.escn<a class="headerlink" href="#module-core.models.escn" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.so3</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="escn/index.html">core.models.escn.escn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="so3/index.html">core.models.escn.so3</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.escn.eSCN" title="core.models.escn.eSCN"><code class="xref py py-obj docutils literal notranslate"><span class="pre">eSCN</span></code></a></p></td>
 <td><p>Equivariant Spherical Channel Network</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.escn.eSCN">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.escn.</span></span><span class="sig-name descname"><span class="pre">eSCN</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">40</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">90</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax_list</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">256</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_grid</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sphere_samples</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'gaussian'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">basis_width_scalar</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_resolution</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.02</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">show_timing_info</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.eSCN" title="Link to this definition">#</a></dt>
@@ -686,11 +692,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.escn.eSCN.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.escn.eSCN.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.escn.eSCN.forward">
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.eSCN.forward" title="Link to this definition">#</a></dt>
@@ -701,9 +702,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">_init_edge_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_distance_vec</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.escn.eSCN._init_edge_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.escn.eSCN.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.escn.eSCN.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -734,7 +739,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -743,7 +748,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.wigner</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2.wigner</p>
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     <a class="right-next"
@@ -751,7 +756,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></p>
+        <p class="prev-next-title">core.models.escn.escn</p>
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       <i class="fa-solid fa-angle-right"></i>
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@@ -772,14 +777,12 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN"><code class="docutils literal notranslate"><span class="pre">eSCN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.forward"><code class="docutils literal notranslate"><span class="pre">eSCN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">eSCN._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.eSCN.num_params"><code class="docutils literal notranslate"><span class="pre">eSCN.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -832,8 +835,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,48 +617,46 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.complex_idx()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.coefficient_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.coefficient_idx()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.complex_idx()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.coefficient_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.coefficient_idx()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.set_lmax"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_lmax()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.wigner_D"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.wigner_D()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation._z_rot_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid._initialize"><code class="docutils literal notranslate"><span class="pre">SO3_Grid._initialize()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.set_lmax"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_lmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.wigner_D"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.wigner_D()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation._z_rot_mat()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid._initialize"><code class="docutils literal notranslate"><span class="pre">SO3_Grid._initialize()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -669,15 +673,24 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.escn.so3">
-<span id="core-models-escn-so3"></span><h1><a class="reference internal" href="#module-core.models.escn.so3" title="core.models.escn.so3"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.so3</span></code></a><a class="headerlink" href="#module-core.models.escn.so3" title="Link to this heading">#</a></h1>
+<span id="core-models-escn-so3"></span><h1>core.models.escn.so3<a class="headerlink" href="#module-core.models.escn.so3" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.escn.so3._Jd" title="core.models.escn.so3._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.escn.so3.CoefficientMapping" title="core.models.escn.so3.CoefficientMapping"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CoefficientMapping</span></code></a></p></td>
 <td><p>Helper functions for coefficients used to reshape l&lt;--&gt;m and to get coefficients of specific degree or order</p></td>
@@ -693,16 +706,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.escn.so3._Jd" title="core.models.escn.so3._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.escn.so3._Jd">
 <span class="sig-prename descclassname"><span class="pre">core.models.escn.so3.</span></span><span class="sig-name descname"><span class="pre">_Jd</span></span><a class="headerlink" href="#core.models.escn.so3._Jd" title="Link to this definition">#</a></dt>
@@ -901,7 +908,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 
 </dd></dl>
 
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@@ -932,7 +938,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
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@@ -941,7 +947,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></p>
+        <p class="prev-next-title">core.models.escn.escn</p>
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+        <p class="prev-next-title">core.models.gemnet</p>
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@@ -969,48 +975,46 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.complex_idx()</span></code></a></li>
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-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.complex_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.complex_idx()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.CoefficientMapping.coefficient_idx"><code class="docutils literal notranslate"><span class="pre">CoefficientMapping.coefficient_idx()</span></code></a></li>
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 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.set_lmax"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_lmax()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.wigner_D"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.wigner_D()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation._z_rot_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.clone"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.clone()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_embedding"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_embedding()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.set_lmax_mmax"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.set_lmax_mmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.expand_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.expand_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._reduce_edge"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._reduce_edge()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._m_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._m_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._l_primary"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._l_primary()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._grid_act"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._grid_act()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Embedding._from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Embedding._from_grid()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid._initialize"><code class="docutils literal notranslate"><span class="pre">SO3_Grid._initialize()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.set_lmax"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.set_lmax()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.rotate_inv"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.rotate_inv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.RotationToWignerDMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation.wigner_D"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation.wigner_D()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Rotation._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Rotation._z_rot_mat()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid._initialize"><code class="docutils literal notranslate"><span class="pre">SO3_Grid._initialize()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_to_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_to_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.get_from_grid_mat"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.get_from_grid_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.to_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.to_grid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.escn.so3.SO3_Grid.from_grid"><code class="docutils literal notranslate"><span class="pre">SO3_Grid.from_grid()</span></code></a></li>
 </ul>
 </li>
 </ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT"><code class="docutils literal notranslate"><span class="pre">GemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetT.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,21 +643,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.gemnet">
-<span id="core-models-gemnet-gemnet"></span><h1><a class="reference internal" href="#module-core.models.gemnet.gemnet" title="core.models.gemnet.gemnet"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.gemnet</span></code></a><a class="headerlink" href="#module-core.models.gemnet.gemnet" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gemnet"></span><h1>core.models.gemnet.gemnet<a class="headerlink" href="#module-core.models.gemnet.gemnet" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.gemnet.GemNetT" title="core.models.gemnet.gemnet.GemNetT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GemNetT</span></code></a></p></td>
 <td><p>GemNet-T, triplets-only variant of GemNet</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.gemnet.GemNetT">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet.gemnet.</span></span><span class="sig-name descname"><span class="pre">GemNetT</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_bil_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extensive</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'HeOrthogonal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'swish'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.gemnet.GemNetT" title="Link to this definition">#</a></dt>
@@ -692,11 +698,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.gemnet.gemnet.GemNetT.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.gemnet.gemnet.GemNetT.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.gemnet.gemnet.GemNetT.get_triplets">
 <span class="sig-name descname"><span class="pre">get_triplets</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.gemnet.GemNetT.get_triplets" title="Link to this definition">#</a></dt>
@@ -747,9 +748,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.gemnet.GemNetT.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.gemnet.gemnet.GemNetT.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.gemnet.gemnet.GemNetT.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -780,7 +785,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -789,7 +794,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.spherical_basis</p>
       </div>
     </a>
     <a class="right-next"
@@ -797,7 +802,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.initializers</p>
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       <i class="fa-solid fa-angle-right"></i>
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@@ -817,18 +822,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT"><code class="docutils literal notranslate"><span class="pre">GemNetT</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetT.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT"><code class="docutils literal notranslate"><span class="pre">GemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.gemnet.GemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetT.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -881,8 +884,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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diff --git a/autoapi/core/models/gemnet/index.html b/autoapi/core/models/gemnet/index.html
index 0974c07f8..7b15e83ee 100644
--- a/autoapi/core/models/gemnet/index.html
+++ b/autoapi/core/models/gemnet/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,18 +619,16 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT"><code class="docutils literal notranslate"><span class="pre">GemNetT</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetT.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT"><code class="docutils literal notranslate"><span class="pre">GemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GemNetT.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.GemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetT.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,22 +645,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet">
-<span id="core-models-gemnet"></span><h1><a class="reference internal" href="#module-core.models.gemnet" title="core.models.gemnet"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a><a class="headerlink" href="#module-core.models.gemnet" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet"></span><h1>core.models.gemnet<a class="headerlink" href="#module-core.models.gemnet" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.basis_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.efficient</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.embedding_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.interaction_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.radial_basis</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="layers/index.html">core.models.gemnet.layers</a></li>
 </ul>
 </div>
 </section>
@@ -664,23 +658,25 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.gemnet</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.utils</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html">core.models.gemnet.gemnet</a></li>
+<li class="toctree-l1"><a class="reference internal" href="initializers/index.html">core.models.gemnet.initializers</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.models.gemnet.utils</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.GemNetT" title="core.models.gemnet.GemNetT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GemNetT</span></code></a></p></td>
 <td><p>GemNet-T, triplets-only variant of GemNet</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.GemNetT">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet.</span></span><span class="sig-name descname"><span class="pre">GemNetT</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_bil_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extensive</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'HeOrthogonal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'swish'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.GemNetT" title="Link to this definition">#</a></dt>
@@ -719,11 +715,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.gemnet.GemNetT.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.gemnet.GemNetT.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.gemnet.GemNetT.get_triplets">
 <span class="sig-name descname"><span class="pre">get_triplets</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.GemNetT.get_triplets" title="Link to this definition">#</a></dt>
@@ -774,9 +765,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
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     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,15 +635,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.initializers">
-<span id="core-models-gemnet-initializers"></span><h1><a class="reference internal" href="#module-core.models.gemnet.initializers" title="core.models.gemnet.initializers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></a><a class="headerlink" href="#module-core.models.gemnet.initializers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-initializers"></span><h1>core.models.gemnet.initializers<a class="headerlink" href="#module-core.models.gemnet.initializers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.initializers._standardize" title="core.models.gemnet.initializers._standardize"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_standardize</span></code></a>(kernel)</p></td>
 <td><p>Makes sure that N*Var(W) = 1 and E[W] = 0</p></td>
@@ -649,6 +651,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet.initializers._standardize">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet.initializers.</span></span><span class="sig-name descname"><span class="pre">_standardize</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">kernel</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.initializers._standardize" title="Link to this definition">#</a></dt>
@@ -666,7 +672,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 “Exact solutions to the nonlinear dynamics of learning in deep linear neural networks”)</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -697,7 +702,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -706,7 +711,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.gemnet</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.gemnet</p>
       </div>
     </a>
     <a class="right-next"
@@ -714,7 +719,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -734,12 +739,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -790,8 +793,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
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+
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
+  
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 </ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,15 +643,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.atom_update_block">
-<span id="core-models-gemnet-layers-atom-update-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.atom_update_block" title="core.models.gemnet.layers.atom_update_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.atom_update_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.atom_update_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-atom-update-block"></span><h1>core.models.gemnet.layers.atom_update_block<a class="headerlink" href="#module-core.models.gemnet.layers.atom_update_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock" title="core.models.gemnet.layers.atom_update_block.AtomUpdateBlock"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a></p></td>
 <td><p>Aggregate the message embeddings of the atoms</p></td>
@@ -657,6 +659,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.atom_update_block.AtomUpdateBlock">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet.layers.atom_update_block.</span></span><span class="sig-name descname"><span class="pre">AtomUpdateBlock</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nHidden</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'atom_update'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock" title="Link to this definition">#</a></dt>
@@ -733,7 +739,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -764,7 +769,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -773,7 +778,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers</p>
       </div>
     </a>
     <a class="right-next"
@@ -781,7 +786,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.base_layers</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -801,18 +806,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -865,8 +868,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/models/gemnet/layers/base_layers/index.html b/autoapi/core/models/gemnet/layers/base_layers/index.html
index 34e06c0ac..176751a54 100644
--- a/autoapi/core/models/gemnet/layers/base_layers/index.html
+++ b/autoapi/core/models/gemnet/layers/base_layers/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../../../_static/togglebutton.css?v=13237357" />
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     <link rel="stylesheet" type="text/css" href="../../../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
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@@ -646,15 +650,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.base_layers">
-<span id="core-models-gemnet-layers-base-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.base_layers" title="core.models.gemnet.layers.base_layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.base_layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-base-layers"></span><h1>core.models.gemnet.layers.base_layers<a class="headerlink" href="#module-core.models.gemnet.layers.base_layers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
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 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.base_layers.Dense" title="core.models.gemnet.layers.base_layers.Dense"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Dense</span></code></a></p></td>
 <td><p>Combines dense layer with scaling for swish activation.</p></td>
@@ -670,6 +672,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
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 </dd></dl>
 
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 </section>
 </section>
 
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+        <p class="prev-next-title">core.models.gemnet.layers.atom_update_block</p>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.basis_utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.basis_utils</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.SiQU"><code class="docutils literal notranslate"><span class="pre">SiQU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.SiQU.forward"><code class="docutils literal notranslate"><span class="pre">SiQU.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,15 +640,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.basis_utils">
-<span id="core-models-gemnet-layers-basis-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.basis_utils" title="core.models.gemnet.layers.basis_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.basis_utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.basis_utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-basis-utils"></span><h1>core.models.gemnet.layers.basis_utils<a class="headerlink" href="#module-core.models.gemnet.layers.basis_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.basis_utils.Jn" title="core.models.gemnet.layers.basis_utils.Jn"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Jn</span></code></a>(r, n)</p></td>
 <td><p>numerical spherical bessel functions of order n</p></td>
@@ -669,6 +671,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.basis_utils.Jn">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet.layers.basis_utils.</span></span><span class="sig-name descname"><span class="pre">Jn</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">r</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.layers.basis_utils.Jn" title="Link to this definition">#</a></dt>
@@ -783,7 +789,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -814,7 +819,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -823,7 +828,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.base_layers</p>
       </div>
     </a>
     <a class="right-next"
@@ -831,7 +836,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.efficient</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.efficient</p>
       </div>
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   <section id="module-core.models.gemnet.layers.efficient">
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 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
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 <td><p>Down projection in the efficient reformulation.</p></td>
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@@ -242,7 +245,7 @@
 
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.EdgeEmbedding"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.EdgeEmbedding"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.EdgeEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.embedding_block">
-<span id="core-models-gemnet-layers-embedding-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.embedding_block" title="core.models.gemnet.layers.embedding_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.embedding_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.embedding_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-embedding-block"></span><h1>core.models.gemnet.layers.embedding_block<a class="headerlink" href="#module-core.models.gemnet.layers.embedding_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <section id="classes">
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding" title="core.models.gemnet.layers.embedding_block.AtomEmbedding"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomEmbedding</span></code></a></p></td>
 <td><p>Initial atom embeddings based on the atom type</p></td>
@@ -655,6 +657,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
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+</section>
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 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.embedding_block.AtomEmbedding">
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+        <p class="prev-next-title">core.models.gemnet.layers.efficient</p>
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+        <p class="prev-next-title">core.models.gemnet.layers.interaction_block</p>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.AtomEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding.forward()</span></code></a></li>
 </ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.EdgeEmbedding"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.embedding_block.EdgeEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding.forward()</span></code></a></li>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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@@ -431,7 +437,7 @@
 
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@@ -624,19 +630,19 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers">
-<span id="core-models-gemnet-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers" title="core.models.gemnet.layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers"></span><h1>core.models.gemnet.layers<a class="headerlink" href="#module-core.models.gemnet.layers" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.basis_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.efficient</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.embedding_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.interaction_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.radial_basis</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="atom_update_block/index.html">core.models.gemnet.layers.atom_update_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="base_layers/index.html">core.models.gemnet.layers.base_layers</a></li>
+<li class="toctree-l1"><a class="reference internal" href="basis_utils/index.html">core.models.gemnet.layers.basis_utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="efficient/index.html">core.models.gemnet.layers.efficient</a></li>
+<li class="toctree-l1"><a class="reference internal" href="embedding_block/index.html">core.models.gemnet.layers.embedding_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="interaction_block/index.html">core.models.gemnet.layers.interaction_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="radial_basis/index.html">core.models.gemnet.layers.radial_basis</a></li>
+<li class="toctree-l1"><a class="reference internal" href="spherical_basis/index.html">core.models.gemnet.layers.spherical_basis</a></li>
 </ul>
 </div>
 </section>
@@ -669,7 +675,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -678,7 +684,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></p>
+        <p class="prev-next-title">core.models.gemnet</p>
       </div>
     </a>
     <a class="right-next"
@@ -686,7 +692,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.atom_update_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.atom_update_block</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -755,8 +761,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/models/gemnet/layers/interaction_block/index.html b/autoapi/core/models/gemnet/layers/interaction_block/index.html
index a91ee07c8..f8c1ae911 100644
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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@@ -242,7 +245,7 @@
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3"><a class="reference internal" href="../../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
 </div></div>
       
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
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-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.interaction_block">
-<span id="core-models-gemnet-layers-interaction-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.interaction_block" title="core.models.gemnet.layers.interaction_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.interaction_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.interaction_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-interaction-block"></span><h1>core.models.gemnet.layers.interaction_block<a class="headerlink" href="#module-core.models.gemnet.layers.interaction_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly" title="core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly"><code class="xref py py-obj docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly</span></code></a></p></td>
 <td><p>Interaction block for GemNet-T/dT.</p></td>
@@ -655,6 +657,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet.layers.interaction_block.</span></span><span class="sig-name descname"><span class="pre">InteractionBlockTripletsOnly</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_bil_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'Interaction'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly" title="Link to this definition">#</a></dt>
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 </section>
 
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+                <footer class="prev-next-footer d-print-none">
                   
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@@ -765,7 +770,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.embedding_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.embedding_block</p>
       </div>
     </a>
     <a class="right-next"
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.radial_basis</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.radial_basis</p>
       </div>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
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diff --git a/autoapi/core/models/gemnet/layers/radial_basis/index.html b/autoapi/core/models/gemnet/layers/radial_basis/index.html
index 4f02f7e53..be15577b4 100644
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
 </ul>
 </li>
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@@ -649,15 +653,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.radial_basis">
-<span id="core-models-gemnet-layers-radial-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.radial_basis" title="core.models.gemnet.layers.radial_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.radial_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.radial_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-radial-basis"></span><h1>core.models.gemnet.layers.radial_basis<a class="headerlink" href="#module-core.models.gemnet.layers.radial_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.layers.radial_basis.PolynomialEnvelope" title="core.models.gemnet.layers.radial_basis.PolynomialEnvelope"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a></p></td>
 <td><p>Polynomial envelope function that ensures a smooth cutoff.</p></td>
@@ -681,6 +683,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
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 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.radial_basis.PolynomialEnvelope">
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 </dd></dl>
 
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 </section>
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.interaction_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.interaction_block</p>
       </div>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.layers.spherical_basis</p>
       </div>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -440,14 +446,14 @@
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.spherical_basis.CircularBasisLayer"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.spherical_basis.CircularBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer.forward()</span></code></a></li>
-</ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.spherical_basis.CircularBasisLayer"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.layers.spherical_basis.CircularBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer.forward()</span></code></a></li>
 </ul>
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@@ -633,21 +637,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.layers.spherical_basis">
-<span id="core-models-gemnet-layers-spherical-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet.layers.spherical_basis" title="core.models.gemnet.layers.spherical_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet.layers.spherical_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-layers-spherical-basis"></span><h1>core.models.gemnet.layers.spherical_basis<a class="headerlink" href="#module-core.models.gemnet.layers.spherical_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <td><p>2D Fourier Bessel Basis</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet.layers.spherical_basis.CircularBasisLayer">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet.layers.spherical_basis.</span></span><span class="sig-name descname"><span class="pre">CircularBasisLayer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radial_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="../radial_basis/index.html#core.models.gemnet.layers.radial_basis.RadialBasis" title="core.models.gemnet.layers.radial_basis.RadialBasis"><span class="pre">core.models.gemnet.layers.radial_basis.RadialBasis</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">efficient</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.layers.spherical_basis.CircularBasisLayer" title="Link to this definition">#</a></dt>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,19 +617,17 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -638,15 +642,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet.utils">
-<span id="core-models-gemnet-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet.utils" title="core.models.gemnet.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet.utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-utils"></span><h1>core.models.gemnet.utils<a class="headerlink" href="#module-core.models.gemnet.utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet.utils.read_json" title="core.models.gemnet.utils.read_json"><code class="xref py py-obj docutils literal notranslate"><span class="pre">read_json</span></code></a>(path)</p></td>
 <td><p></p></td>
@@ -677,6 +679,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet.utils.read_json">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet.utils.</span></span><span class="sig-name descname"><span class="pre">read_json</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet.utils.read_json" title="Link to this definition">#</a></dt>
@@ -784,7 +790,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet.utils.</span></span><span class="sig-name descname"><span class="pre">mask_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_mask</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.gemnet.utils.mask_neighbors" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -815,7 +820,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -824,7 +829,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet.initializers</p>
       </div>
     </a>
     <a class="right-next"
@@ -832,7 +837,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -852,19 +857,17 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -915,8 +918,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/core/models/gemnet_gp/gemnet/index.html b/autoapi/core/models/gemnet_gp/gemnet/index.html
index f81f968db..613a7e89e 100644
--- a/autoapi/core/models/gemnet_gp/gemnet/index.html
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   <script data-cfasync="false">
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.get_triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,21 +643,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.gemnet">
-<span id="core-models-gemnet-gp-gemnet"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.gemnet" title="core.models.gemnet_gp.gemnet"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.gemnet</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.gemnet" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-gemnet"></span><h1>core.models.gemnet_gp.gemnet<a class="headerlink" href="#module-core.models.gemnet_gp.gemnet" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT" title="core.models.gemnet_gp.gemnet.GraphParallelGemNetT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a></p></td>
 <td><p>GemNet-T, triplets-only variant of GemNet</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.gemnet.GraphParallelGemNetT">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.gemnet.</span></span><span class="sig-name descname"><span class="pre">GraphParallelGemNetT</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_bil_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extensive</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'HeOrthogonal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'swish'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scatter_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT" title="Link to this definition">#</a></dt>
@@ -692,11 +698,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.gemnet.GraphParallelGemNetT.get_triplets">
 <span class="sig-name descname"><span class="pre">get_triplets</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.get_triplets" title="Link to this definition">#</a></dt>
@@ -747,9 +748,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><a class="headerlink" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -780,7 +785,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -789,7 +794,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.spherical_basis</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.spherical_basis</p>
       </div>
     </a>
     <a class="right-next"
@@ -797,7 +802,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.initializers</p>
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@@ -817,18 +822,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.gemnet.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
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+</ul>
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+</ul>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,18 +619,16 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.get_triplets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,22 +645,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp">
-<span id="core-models-gemnet-gp"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp" title="core.models.gemnet_gp"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp"></span><h1>core.models.gemnet_gp<a class="headerlink" href="#module-core.models.gemnet_gp" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.basis_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.efficient</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.embedding_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.interaction_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.radial_basis</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="layers/index.html">core.models.gemnet_gp.layers</a></li>
 </ul>
 </div>
 </section>
@@ -664,23 +658,25 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.gemnet</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html">core.models.gemnet_gp.gemnet</a></li>
+<li class="toctree-l1"><a class="reference internal" href="initializers/index.html">core.models.gemnet_gp.initializers</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.models.gemnet_gp.utils</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.GraphParallelGemNetT" title="core.models.gemnet_gp.GraphParallelGemNetT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a></p></td>
 <td><p>GemNet-T, triplets-only variant of GemNet</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.GraphParallelGemNetT">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.</span></span><span class="sig-name descname"><span class="pre">GraphParallelGemNetT</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_bil_trip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> 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class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.GraphParallelGemNetT" title="Link to this definition">#</a></dt>
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+        <p class="prev-next-title">core.models.gemnet.utils</p>
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.num_params"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.num_params</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.get_triplets"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.get_triplets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.reorder_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.reorder_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.select_edges"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.select_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.generate_interaction_graph"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.generate_interaction_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.GraphParallelGemNetT.forward"><code class="docutils literal notranslate"><span class="pre">GraphParallelGemNetT.forward()</span></code></a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,15 +635,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.initializers">
-<span id="core-models-gemnet-gp-initializers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.initializers" title="core.models.gemnet_gp.initializers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.initializers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-initializers"></span><h1>core.models.gemnet_gp.initializers<a class="headerlink" href="#module-core.models.gemnet_gp.initializers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.initializers._standardize" title="core.models.gemnet_gp.initializers._standardize"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_standardize</span></code></a>(kernel)</p></td>
 <td><p>Makes sure that N*Var(W) = 1 and E[W] = 0</p></td>
@@ -649,6 +651,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.initializers._standardize">
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@@ -666,7 +672,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 “Exact solutions to the nonlinear dynamics of learning in deep linear neural networks”)</p>
 </dd></dl>
 
-</section>
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@@ -697,7 +702,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -706,7 +711,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.gemnet</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.gemnet</p>
       </div>
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     <a class="right-next"
@@ -714,7 +719,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.utils</p>
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@@ -734,12 +739,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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           class="sidebar-toggle"
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+          id="pst-primary-sidebar-checkbox"/>
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   <input type="checkbox"
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-          name="__secondary"
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
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 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,23 +617,21 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum"><code class="docutils literal notranslate"><span class="pre">scatter_sum()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.dense_rbf_F"><code class="docutils literal notranslate"><span class="pre">OutputBlock.dense_rbf_F</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_forces"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_energy"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum"><code class="docutils literal notranslate"><span class="pre">scatter_sum()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.dense_rbf_F"><code class="docutils literal notranslate"><span class="pre">OutputBlock.dense_rbf_F</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_forces"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_energy"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -644,15 +648,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.atom_update_block">
-<span id="core-models-gemnet-gp-layers-atom-update-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.atom_update_block" title="core.models.gemnet_gp.layers.atom_update_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.atom_update_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-atom-update-block"></span><h1>core.models.gemnet_gp.layers.atom_update_block<a class="headerlink" href="#module-core.models.gemnet_gp.layers.atom_update_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock" title="core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a></p></td>
 <td><p>Aggregate the message embeddings of the atoms</p></td>
@@ -662,16 +664,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum" title="core.models.gemnet_gp.layers.atom_update_block.scatter_sum"><code class="xref py py-obj docutils literal notranslate"><span class="pre">scatter_sum</span></code></a>(→ torch.Tensor)</p></td>
 <td><p>Clone of torch_scatter.scatter_sum but without in-place operations</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.layers.atom_update_block.scatter_sum">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.layers.atom_update_block.</span></span><span class="sig-name descname"><span class="pre">scatter_sum</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">src</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">index</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">-1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dim_size</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum" title="Link to this definition">#</a></dt>
@@ -769,7 +776,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -800,7 +806,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -809,7 +815,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers</p>
       </div>
     </a>
     <a class="right-next"
@@ -817,7 +823,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.base_layers</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -837,23 +843,21 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum"><code class="docutils literal notranslate"><span class="pre">scatter_sum()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.dense_rbf_F"><code class="docutils literal notranslate"><span class="pre">OutputBlock.dense_rbf_F</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.scatter_sum"><code class="docutils literal notranslate"><span class="pre">scatter_sum()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.AtomUpdateBlock.forward"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.dense_rbf_F"><code class="docutils literal notranslate"><span class="pre">OutputBlock.dense_rbf_F</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_forces"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.out_energy"><code class="docutils literal notranslate"><span class="pre">OutputBlock.out_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">OutputBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
 </ul>
 </li>
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@@ -906,8 +910,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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   </footer>
diff --git a/autoapi/core/models/gemnet_gp/layers/base_layers/index.html b/autoapi/core/models/gemnet_gp/layers/base_layers/index.html
index eeec965bc..1452d6d03 100644
--- a/autoapi/core/models/gemnet_gp/layers/base_layers/index.html
+++ b/autoapi/core/models/gemnet_gp/layers/base_layers/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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+  <link href="../../../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <script src="../../../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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+    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
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@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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@@ -572,10 +578,10 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,25 +617,23 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.SiQU"><code class="docutils literal notranslate"><span class="pre">SiQU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.SiQU.forward"><code class="docutils literal notranslate"><span class="pre">SiQU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.SiQU"><code class="docutils literal notranslate"><span class="pre">SiQU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.SiQU.forward"><code class="docutils literal notranslate"><span class="pre">SiQU.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -646,15 +650,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.base_layers">
-<span id="core-models-gemnet-gp-layers-base-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.base_layers" title="core.models.gemnet_gp.layers.base_layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.base_layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-base-layers"></span><h1>core.models.gemnet_gp.layers.base_layers<a class="headerlink" href="#module-core.models.gemnet_gp.layers.base_layers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.base_layers.Dense" title="core.models.gemnet_gp.layers.base_layers.Dense"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Dense</span></code></a></p></td>
 <td><p>Combines dense layer with scaling for swish activation.</p></td>
@@ -670,6 +672,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.layers.base_layers.Dense">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.layers.base_layers.</span></span><span class="sig-name descname"><span class="pre">Dense</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_in_features</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_out_features</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bias</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.layers.base_layers.Dense" title="Link to this definition">#</a></dt>
@@ -801,7 +807,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.atom_update_block</p>
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+        <p class="prev-next-title">core.models.gemnet_gp.layers.basis_utils</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.SiQU"><code class="docutils literal notranslate"><span class="pre">SiQU</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="fa-solid fa-list"></span>
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 </div></div>
       
     </div>
@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,15 +640,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.basis_utils">
-<span id="core-models-gemnet-gp-layers-basis-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.basis_utils" title="core.models.gemnet_gp.layers.basis_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.basis_utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.basis_utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-basis-utils"></span><h1>core.models.gemnet_gp.layers.basis_utils<a class="headerlink" href="#module-core.models.gemnet_gp.layers.basis_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.basis_utils.Jn" title="core.models.gemnet_gp.layers.basis_utils.Jn"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Jn</span></code></a>(r, n)</p></td>
 <td><p>numerical spherical bessel functions of order n</p></td>
@@ -669,6 +671,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.layers.basis_utils.Jn">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.layers.basis_utils.</span></span><span class="sig-name descname"><span class="pre">Jn</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">r</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.layers.basis_utils.Jn" title="Link to this definition">#</a></dt>
@@ -783,7 +789,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -814,7 +819,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -823,7 +828,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.base_layers</p>
       </div>
     </a>
     <a class="right-next"
@@ -831,7 +836,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.efficient</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.efficient</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -851,17 +856,15 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
 </ul>
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@@ -912,8 +915,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
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+
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+
   
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+    
+  
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
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                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.reset_parameters()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.reset_parameters()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
 </ul>
 </li>
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@@ -639,15 +643,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.efficient">
-<span id="core-models-gemnet-gp-layers-efficient"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.efficient" title="core.models.gemnet_gp.layers.efficient"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.efficient</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.efficient" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-efficient"></span><h1>core.models.gemnet_gp.layers.efficient<a class="headerlink" href="#module-core.models.gemnet_gp.layers.efficient" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection" title="core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection"><code class="xref py py-obj docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection</span></code></a></p></td>
 <td><p>Down projection in the efficient reformulation.</p></td>
@@ -657,6 +659,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
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 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.layers.efficient.</span></span><span class="sig-name descname"><span class="pre">EfficientInteractionDownProjection</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_interm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection" title="Link to this definition">#</a></dt>
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 </section>
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.basis_utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.basis_utils</p>
       </div>
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+        <p class="prev-next-title">core.models.gemnet_gp.layers.embedding_block</p>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.reset_parameters()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.reset_parameters()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionDownProjection.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.reset_parameters"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.embedding_block.EdgeEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.embedding_block.AtomEmbedding"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.embedding_block.AtomEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding.forward()</span></code></a></li>
 </ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.embedding_block.EdgeEmbedding"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.embedding_block.EdgeEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">EdgeEmbedding.forward()</span></code></a></li>
 </ul>
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@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.embedding_block">
-<span id="core-models-gemnet-gp-layers-embedding-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.embedding_block" title="core.models.gemnet_gp.layers.embedding_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.embedding_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.embedding_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-embedding-block"></span><h1>core.models.gemnet_gp.layers.embedding_block<a class="headerlink" href="#module-core.models.gemnet_gp.layers.embedding_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
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 <td><p>Initial atom embeddings based on the atom type</p></td>
@@ -655,6 +657,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 </tbody>
 </table>
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+<li class="toctree-l4"><a class="reference internal" href="../../../scripts/uncompress/index.html">core.scripts.uncompress</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../tasks/task/index.html">core.tasks.task</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+</ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -624,19 +630,19 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers">
-<span id="core-models-gemnet-gp-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers" title="core.models.gemnet_gp.layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers"></span><h1>core.models.gemnet_gp.layers<a class="headerlink" href="#module-core.models.gemnet_gp.layers" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.basis_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.efficient</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.embedding_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.interaction_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.radial_basis</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.spherical_basis</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="atom_update_block/index.html">core.models.gemnet_gp.layers.atom_update_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="base_layers/index.html">core.models.gemnet_gp.layers.base_layers</a></li>
+<li class="toctree-l1"><a class="reference internal" href="basis_utils/index.html">core.models.gemnet_gp.layers.basis_utils</a></li>
+<li class="toctree-l1"><a class="reference internal" href="efficient/index.html">core.models.gemnet_gp.layers.efficient</a></li>
+<li class="toctree-l1"><a class="reference internal" href="embedding_block/index.html">core.models.gemnet_gp.layers.embedding_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="interaction_block/index.html">core.models.gemnet_gp.layers.interaction_block</a></li>
+<li class="toctree-l1"><a class="reference internal" href="radial_basis/index.html">core.models.gemnet_gp.layers.radial_basis</a></li>
+<li class="toctree-l1"><a class="reference internal" href="spherical_basis/index.html">core.models.gemnet_gp.layers.spherical_basis</a></li>
 </ul>
 </div>
 </section>
@@ -669,7 +675,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -678,7 +684,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp</p>
       </div>
     </a>
     <a class="right-next"
@@ -686,7 +692,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.atom_update_block</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -755,8 +761,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/models/gemnet_gp/layers/interaction_block/index.html b/autoapi/core/models/gemnet_gp/layers/interaction_block/index.html
index 54acb862d..9cf4445c6 100644
--- a/autoapi/core/models/gemnet_gp/layers/interaction_block/index.html
+++ b/autoapi/core/models/gemnet_gp/layers/interaction_block/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <link rel="stylesheet" type="text/css" href="../../../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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     <script src="../../../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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 `);
 </script>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
-</ul>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.InteractionBlockTripletsOnly"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.interaction_block">
-<span id="core-models-gemnet-gp-layers-interaction-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.interaction_block" title="core.models.gemnet_gp.layers.interaction_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.interaction_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.interaction_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-interaction-block"></span><h1>core.models.gemnet_gp.layers.interaction_block<a class="headerlink" href="#module-core.models.gemnet_gp.layers.interaction_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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 <td><p>Interaction block for GemNet-T/dT.</p></td>
@@ -655,6 +657,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.embedding_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.embedding_block</p>
       </div>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.radial_basis</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.layers.radial_basis</p>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.InteractionBlockTripletsOnly.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlockTripletsOnly.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,28 +617,26 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -649,15 +653,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.radial_basis">
-<span id="core-models-gemnet-gp-layers-radial-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.radial_basis" title="core.models.gemnet_gp.layers.radial_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.radial_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.radial_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-radial-basis"></span><h1>core.models.gemnet_gp.layers.radial_basis<a class="headerlink" href="#module-core.models.gemnet_gp.layers.radial_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope" title="core.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a></p></td>
 <td><p>Polynomial envelope function that ensures a smooth cutoff.</p></td>
@@ -681,6 +683,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer.forward()</span></code></a></li>
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                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.layers.spherical_basis">
-<span id="core-models-gemnet-gp-layers-spherical-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.layers.spherical_basis" title="core.models.gemnet_gp.layers.spherical_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.spherical_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.layers.spherical_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-layers-spherical-basis"></span><h1>core.models.gemnet_gp.layers.spherical_basis<a class="headerlink" href="#module-core.models.gemnet_gp.layers.spherical_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <td><p>2D Fourier Bessel Basis</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
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 <dt class="sig sig-object py" id="core.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.layers.spherical_basis.</span></span><span class="sig-name descname"><span class="pre">CircularBasisLayer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radial_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="../radial_basis/index.html#core.models.gemnet_gp.layers.radial_basis.RadialBasis" title="core.models.gemnet_gp.layers.radial_basis.RadialBasis"><span class="pre">core.models.gemnet_gp.layers.radial_basis.RadialBasis</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">efficient</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer" title="Link to this definition">#</a></dt>
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+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,19 +617,17 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -638,15 +642,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_gp.utils">
-<span id="core-models-gemnet-gp-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet_gp.utils" title="core.models.gemnet_gp.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet_gp.utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-gp-utils"></span><h1>core.models.gemnet_gp.utils<a class="headerlink" href="#module-core.models.gemnet_gp.utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_gp.utils.read_json" title="core.models.gemnet_gp.utils.read_json"><code class="xref py py-obj docutils literal notranslate"><span class="pre">read_json</span></code></a>(path)</p></td>
 <td><p></p></td>
@@ -677,6 +679,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_gp.utils.read_json">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.utils.</span></span><span class="sig-name descname"><span class="pre">read_json</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.utils.read_json" title="Link to this definition">#</a></dt>
@@ -784,7 +790,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_gp.utils.</span></span><span class="sig-name descname"><span class="pre">mask_neighbors</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_mask</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_gp.utils.mask_neighbors" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -815,7 +820,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -824,7 +829,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.initializers</p>
       </div>
     </a>
     <a class="right-next"
@@ -832,7 +837,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -852,19 +857,17 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_json"><code class="docutils literal notranslate"><span class="pre">read_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.update_json"><code class="docutils literal notranslate"><span class="pre">update_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.write_json"><code class="docutils literal notranslate"><span class="pre">write_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.read_value_json"><code class="docutils literal notranslate"><span class="pre">read_value_json()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.inner_product_normalized"><code class="docutils literal notranslate"><span class="pre">inner_product_normalized()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_gp.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -915,8 +918,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/models/gemnet_oc/gemnet_oc/index.html b/autoapi/core/models/gemnet_oc/gemnet_oc/index.html
index 11a4ffd6a..fe4c04ccc 100644
--- a/autoapi/core/models/gemnet_oc/gemnet_oc/index.html
+++ b/autoapi/core/models/gemnet_oc/gemnet_oc/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-    <script src="../../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
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@@ -611,25 +617,23 @@ <h2> Contents </h2>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -646,15 +650,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.gemnet_oc">
-<span id="core-models-gemnet-oc-gemnet-oc"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.gemnet_oc" title="core.models.gemnet_oc.gemnet_oc"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.gemnet_oc" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-gemnet-oc"></span><h1>core.models.gemnet_oc.gemnet_oc<a class="headerlink" href="#module-core.models.gemnet_oc.gemnet_oc" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC" title="core.models.gemnet_oc.gemnet_oc.GemNetOC"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GemNetOC</span></code></a></p></td>
 <td><p><dl class="field-list simple">
@@ -665,6 +667,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.gemnet_oc.GemNetOC">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.gemnet_oc.</span></span><span class="sig-name descname"><span class="pre">GemNetOC</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_aint_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_aint_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_sbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_output_afteratom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom_emb_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_global_out_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_backprop_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_qint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aeaint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_qint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_aeaint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_aint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enforce_max_neighbors_strictly</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extensive</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">forces_coupled</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'HeOrthogonal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'silu'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">quad_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_edge_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">qint_tags</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC" title="Link to this definition">#</a></dt>
@@ -746,11 +752,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params">
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-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.gemnet_oc.GemNetOC.set_cutoffs">
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@@ -866,9 +867,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -899,7 +904,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.spherical_basis</p>
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@@ -916,7 +921,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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@@ -936,25 +941,23 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1007,8 +1010,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+              <div class="bd-header-article d-print-none">
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-</label></div>
+</button></div>
       
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
 </script>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,25 +619,23 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -648,23 +652,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc">
-<span id="core-models-gemnet-oc"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc" title="core.models.gemnet_oc"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc"></span><h1>core.models.gemnet_oc<a class="headerlink" href="#module-core.models.gemnet_oc" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.base_layers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.basis_utils</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.efficient</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.embedding_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/force_scaler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.force_scaler</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.interaction_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.radial_basis</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="layers/index.html">core.models.gemnet_oc.layers</a></li>
 </ul>
 </div>
 </section>
@@ -672,18 +665,16 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.initializers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="interaction_indices/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet_oc/index.html">core.models.gemnet_oc.gemnet_oc</a></li>
+<li class="toctree-l1"><a class="reference internal" href="initializers/index.html">core.models.gemnet_oc.initializers</a></li>
+<li class="toctree-l1"><a class="reference internal" href="interaction_indices/index.html">core.models.gemnet_oc.interaction_indices</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.models.gemnet_oc.utils</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.GemNetOC" title="core.models.gemnet_oc.GemNetOC"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GemNetOC</span></code></a></p></td>
 <td><p><dl class="field-list simple">
@@ -694,6 +685,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.GemNetOC">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.</span></span><span class="sig-name descname"><span class="pre">GemNetOC</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_radial</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_blocks</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_aint_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_aint_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_sbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_output_afteratom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom_emb_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_global_out_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_backprop_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_qint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aeaint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_qint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_aeaint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors_aint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enforce_max_neighbors_strictly</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extensive</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">forces_coupled</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">output_init</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'HeOrthogonal'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'silu'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">quad_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_edge_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">qint_tags</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.GemNetOC" title="Link to this definition">#</a></dt>
@@ -775,11 +770,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.gemnet_oc.GemNetOC.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.gemnet_oc.GemNetOC.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.GemNetOC.set_cutoffs">
 <span class="sig-name descname"><span class="pre">set_cutoffs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">cutoff</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_qint</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aeaint</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff_aint</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.GemNetOC.set_cutoffs" title="Link to this definition">#</a></dt>
@@ -895,9 +885,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.GemNetOC.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.gemnet_oc.GemNetOC.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.gemnet_oc.GemNetOC.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -928,7 +922,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -937,7 +931,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_gp.utils</p>
       </div>
     </a>
     <a class="right-next"
@@ -945,7 +939,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers</p>
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       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -967,25 +961,23 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC"><code class="docutils literal notranslate"><span class="pre">GemNetOC</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_cutoffs"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_cutoffs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.set_max_neighbors"><code class="docutils literal notranslate"><span class="pre">GemNetOC.set_max_neighbors()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_basis_functions"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_basis_functions()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.init_shared_basis_layers"><code class="docutils literal notranslate"><span class="pre">GemNetOC.init_shared_basis_layers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.calculate_quad_angles"><code class="docutils literal notranslate"><span class="pre">GemNetOC.calculate_quad_angles()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_edges"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.generate_graph_dict"><code class="docutils literal notranslate"><span class="pre">GemNetOC.generate_graph_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.subselect_graph"><code class="docutils literal notranslate"><span class="pre">GemNetOC.subselect_graph()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_graphs_and_indices"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_graphs_and_indices()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.get_bases"><code class="docutils literal notranslate"><span class="pre">GemNetOC.get_bases()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.forward"><code class="docutils literal notranslate"><span class="pre">GemNetOC.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.GemNetOC.num_params"><code class="docutils literal notranslate"><span class="pre">GemNetOC.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1038,8 +1030,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.grid_init"><code class="docutils literal notranslate"><span class="pre">grid_init()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.grid_init"><code class="docutils literal notranslate"><span class="pre">grid_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.log_grid_init"><code class="docutils literal notranslate"><span class="pre">log_grid_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.get_initializer"><code class="docutils literal notranslate"><span class="pre">get_initializer()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -634,15 +638,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.initializers">
-<span id="core-models-gemnet-oc-initializers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.initializers" title="core.models.gemnet_oc.initializers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.initializers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.initializers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-initializers"></span><h1>core.models.gemnet_oc.initializers<a class="headerlink" href="#module-core.models.gemnet_oc.initializers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.initializers._standardize" title="core.models.gemnet_oc.initializers._standardize"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_standardize</span></code></a>(kernel)</p></td>
 <td><p>Makes sure that N*Var(W) = 1 and E[W] = 0</p></td>
@@ -661,6 +663,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.initializers._standardize">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.initializers.</span></span><span class="sig-name descname"><span class="pre">_standardize</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">kernel</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.initializers._standardize" title="Link to this definition">#</a></dt>
@@ -695,7 +701,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.initializers.</span></span><span class="sig-name descname"><span class="pre">get_initializer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">name</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">init_kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.initializers.get_initializer" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -726,7 +731,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -735,7 +740,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.gemnet_oc</p>
       </div>
     </a>
     <a class="right-next"
@@ -743,7 +748,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.interaction_indices</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -763,15 +768,13 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.grid_init"><code class="docutils literal notranslate"><span class="pre">grid_init()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers._standardize"><code class="docutils literal notranslate"><span class="pre">_standardize()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.he_orthogonal_init"><code class="docutils literal notranslate"><span class="pre">he_orthogonal_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.grid_init"><code class="docutils literal notranslate"><span class="pre">grid_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.log_grid_init"><code class="docutils literal notranslate"><span class="pre">log_grid_init()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.initializers.get_initializer"><code class="docutils literal notranslate"><span class="pre">get_initializer()</span></code></a></li>
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diff --git a/autoapi/core/models/gemnet_oc/interaction_indices/index.html b/autoapi/core/models/gemnet_oc/interaction_indices/index.html
index c80c8cfc1..df3549979 100644
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,13 +617,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_triplets"><code class="docutils literal notranslate"><span class="pre">get_triplets()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_mixed_triplets"><code class="docutils literal notranslate"><span class="pre">get_mixed_triplets()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_quadruplets"><code class="docutils literal notranslate"><span class="pre">get_quadruplets()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_triplets"><code class="docutils literal notranslate"><span class="pre">get_triplets()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_mixed_triplets"><code class="docutils literal notranslate"><span class="pre">get_mixed_triplets()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_quadruplets"><code class="docutils literal notranslate"><span class="pre">get_quadruplets()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -632,15 +636,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.interaction_indices">
-<span id="core-models-gemnet-oc-interaction-indices"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.interaction_indices" title="core.models.gemnet_oc.interaction_indices"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.interaction_indices" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-interaction-indices"></span><h1>core.models.gemnet_oc.interaction_indices<a class="headerlink" href="#module-core.models.gemnet_oc.interaction_indices" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.interaction_indices.get_triplets" title="core.models.gemnet_oc.interaction_indices.get_triplets"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_triplets</span></code></a>(graph, num_atoms)</p></td>
 <td><p>Get all input edges b-&gt;a for each output edge c-&gt;a.</p></td>
@@ -653,6 +655,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.interaction_indices.get_triplets">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.interaction_indices.</span></span><span class="sig-name descname"><span class="pre">get_triplets</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">graph</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.interaction_indices.get_triplets" title="Link to this definition">#</a></dt>
@@ -776,7 +782,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
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@@ -807,7 +812,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -816,7 +821,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.initializers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.initializers</p>
       </div>
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     <a class="right-next"
@@ -824,7 +829,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.utils</p>
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@@ -844,13 +849,11 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_triplets"><code class="docutils literal notranslate"><span class="pre">get_triplets()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_quadruplets"><code class="docutils literal notranslate"><span class="pre">get_quadruplets()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_triplets"><code class="docutils literal notranslate"><span class="pre">get_triplets()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_mixed_triplets"><code class="docutils literal notranslate"><span class="pre">get_mixed_triplets()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.interaction_indices.get_quadruplets"><code class="docutils literal notranslate"><span class="pre">get_quadruplets()</span></code></a></li>
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@@ -901,8 +904,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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diff --git a/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.html b/autoapi/core/models/gemnet_oc/layers/atom_update_block/index.html
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+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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@@ -440,14 +446,14 @@
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@@ -611,17 +617,15 @@ <h2> Contents </h2>
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                 <ul class="visible nav section-nav flex-column">
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
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 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.OutputBlock"><code class="docutils literal notranslate"><span class="pre">OutputBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.OutputBlock.forward"><code class="docutils literal notranslate"><span class="pre">OutputBlock.forward()</span></code></a></li>
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                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.atom_update_block">
-<span id="core-models-gemnet-oc-layers-atom-update-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.atom_update_block" title="core.models.gemnet_oc.layers.atom_update_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.atom_update_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.atom_update_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-atom-update-block"></span><h1>core.models.gemnet_oc.layers.atom_update_block<a class="headerlink" href="#module-core.models.gemnet_oc.layers.atom_update_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <td><p>Aggregate the message embeddings of the atoms</p></td>
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 </tr>
 </tbody>
 </table>
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 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers</p>
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.base_layers</p>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock.get_mlp"><code class="docutils literal notranslate"><span class="pre">AtomUpdateBlock.get_mlp()</span></code></a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
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 </div></div>
       
     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -642,15 +646,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.base_layers">
-<span id="core-models-gemnet-oc-layers-base-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.base_layers" title="core.models.gemnet_oc.layers.base_layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.base_layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.base_layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-base-layers"></span><h1>core.models.gemnet_oc.layers.base_layers<a class="headerlink" href="#module-core.models.gemnet_oc.layers.base_layers" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.base_layers.Dense" title="core.models.gemnet_oc.layers.base_layers.Dense"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Dense</span></code></a></p></td>
 <td><p>Combines dense layer with scaling for silu activation.</p></td>
@@ -663,6 +665,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.base_layers.Dense">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.base_layers.</span></span><span class="sig-name descname"><span class="pre">Dense</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">in_features</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">out_features</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bias</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.base_layers.Dense" title="Link to this definition">#</a></dt>
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 </dd></dl>
 
-</section>
 </section>
 </section>
 
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     <a class="left-prev"
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         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.atom_update_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers.atom_update_block</p>
       </div>
     </a>
     <a class="right-next"
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.basis_utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers.basis_utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -822,21 +827,19 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
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-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense"><code class="docutils literal notranslate"><span class="pre">Dense</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.reset_parameters"><code class="docutils literal notranslate"><span class="pre">Dense.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.Dense.forward"><code class="docutils literal notranslate"><span class="pre">Dense.forward()</span></code></a></li>
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 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ScaledSiLU.forward"><code class="docutils literal notranslate"><span class="pre">ScaledSiLU.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer"><code class="docutils literal notranslate"><span class="pre">ResidualLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.base_layers.ResidualLayer.forward"><code class="docutils literal notranslate"><span class="pre">ResidualLayer.forward()</span></code></a></li>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-    Back to top
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-  <label class="overlay overlay-primary" for="__primary"></label>
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+
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+
   
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@@ -611,18 +617,16 @@ <h2> Contents </h2>
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis"><code class="docutils literal notranslate"><span class="pre">get_sph_harm_basis()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis"><code class="docutils literal notranslate"><span class="pre">get_sph_harm_basis()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.basis_utils">
-<span id="core-models-gemnet-oc-layers-basis-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.basis_utils" title="core.models.gemnet_oc.layers.basis_utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.basis_utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.basis_utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-basis-utils"></span><h1>core.models.gemnet_oc.layers.basis_utils<a class="headerlink" href="#module-core.models.gemnet_oc.layers.basis_utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.basis_utils.Jn" title="core.models.gemnet_oc.layers.basis_utils.Jn"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Jn</span></code></a>(r, n)</p></td>
 <td><p>numerical spherical bessel functions of order n</p></td>
@@ -673,6 +675,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.basis_utils.Jn">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.basis_utils.</span></span><span class="sig-name descname"><span class="pre">Jn</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">r</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.basis_utils.Jn" title="Link to this definition">#</a></dt>
@@ -799,7 +805,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <dd><p>Get a function calculating the spherical harmonics basis from z and phi.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -830,7 +835,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -839,7 +844,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.base_layers</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers.base_layers</p>
       </div>
     </a>
     <a class="right-next"
@@ -847,7 +852,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.efficient</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers.efficient</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -867,18 +872,16 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis"><code class="docutils literal notranslate"><span class="pre">get_sph_harm_basis()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn"><code class="docutils literal notranslate"><span class="pre">Jn()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.Jn_zeros"><code class="docutils literal notranslate"><span class="pre">Jn_zeros()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.spherical_bessel_formulas"><code class="docutils literal notranslate"><span class="pre">spherical_bessel_formulas()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.bessel_basis"><code class="docutils literal notranslate"><span class="pre">bessel_basis()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.sph_harm_prefactor"><code class="docutils literal notranslate"><span class="pre">sph_harm_prefactor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.associated_legendre_polynomials"><code class="docutils literal notranslate"><span class="pre">associated_legendre_polynomials()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.real_sph_harm"><code class="docutils literal notranslate"><span class="pre">real_sph_harm()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis"><code class="docutils literal notranslate"><span class="pre">get_sph_harm_basis()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -929,8 +932,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
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+<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/models/gemnet_oc/layers/efficient/index.html b/autoapi/core/models/gemnet_oc/layers/efficient/index.html
index 9fb31c05b..70be5f580 100644
--- a/autoapi/core/models/gemnet_oc/layers/efficient/index.html
+++ b/autoapi/core/models/gemnet_oc/layers/efficient/index.html
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+    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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   <span class="fa-solid fa-bars"></span>
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.weight"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.weight</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.reset_parameters"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.weight"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.weight</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.reset_parameters"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,15 +643,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.efficient">
-<span id="core-models-gemnet-oc-layers-efficient"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.efficient" title="core.models.gemnet_oc.layers.efficient"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.efficient</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.efficient" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-efficient"></span><h1>core.models.gemnet_oc.layers.efficient<a class="headerlink" href="#module-core.models.gemnet_oc.layers.efficient" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
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 <section id="classes">
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding" title="core.models.gemnet_oc.layers.efficient.BasisEmbedding"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BasisEmbedding</span></code></a></p></td>
 <td><p>Embed a basis (CBF, SBF), optionally using the efficient reformulation.</p></td>
@@ -657,6 +659,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.efficient.BasisEmbedding">
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.BasisEmbedding.weight"><code class="docutils literal notranslate"><span class="pre">BasisEmbedding.weight</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.efficient.EfficientInteractionBilinear.forward"><code class="docutils literal notranslate"><span class="pre">EfficientInteractionBilinear.forward()</span></code></a></li>
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   <section id="module-core.models.gemnet_oc.layers.embedding_block">
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 <p>Copyright (c) Meta, Inc. and its affiliates.
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 <td><p>Initial atom embeddings based on the atom type</p></td>
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.efficient</p>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.embedding_block.AtomEmbedding.forward"><code class="docutils literal notranslate"><span class="pre">AtomEmbedding.forward()</span></code></a></li>
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@@ -242,7 +245,7 @@
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler"><code class="docutils literal notranslate"><span class="pre">ForceScaler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.scale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.scale()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.unscale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.unscale()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces_and_update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces_and_update()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.update()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler"><code class="docutils literal notranslate"><span class="pre">ForceScaler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.scale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.scale()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.unscale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.unscale()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces_and_update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces_and_update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.update()</span></code></a></li>
 </ul>
 </li>
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@@ -637,21 +641,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.force_scaler">
-<span id="core-models-gemnet-oc-layers-force-scaler"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.force_scaler" title="core.models.gemnet_oc.layers.force_scaler"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.force_scaler</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.force_scaler" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-force-scaler"></span><h1>core.models.gemnet_oc.layers.force_scaler<a class="headerlink" href="#module-core.models.gemnet_oc.layers.force_scaler" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler" title="core.models.gemnet_oc.layers.force_scaler.ForceScaler"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ForceScaler</span></code></a></p></td>
 <td><p>Scales up the energy and then scales down the forces</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.force_scaler.ForceScaler">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.force_scaler.</span></span><span class="sig-name descname"><span class="pre">ForceScaler</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">init_scale</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2.0**8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">growth_factor</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">backoff_factor</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">growth_interval</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2000</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_force_iters</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enabled</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler" title="Link to this definition">#</a></dt>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.embedding_block</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.layers.embedding_block</p>
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.interaction_block</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler"><code class="docutils literal notranslate"><span class="pre">ForceScaler</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.scale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.scale()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler"><code class="docutils literal notranslate"><span class="pre">ForceScaler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.scale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.scale()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.unscale"><code class="docutils literal notranslate"><span class="pre">ForceScaler.unscale()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces_and_update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.calc_forces_and_update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.force_scaler.ForceScaler.update"><code class="docutils literal notranslate"><span class="pre">ForceScaler.update()</span></code></a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -624,20 +630,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers">
-<span id="core-models-gemnet-oc-layers"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers" title="core.models.gemnet_oc.layers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers"></span><h1>core.models.gemnet_oc.layers<a class="headerlink" href="#module-core.models.gemnet_oc.layers" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.base_layers</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.basis_utils</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.efficient</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.embedding_block</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="force_scaler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.force_scaler</span></code></a></li>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc</p>
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.atom_update_block</p>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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+
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
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@@ -440,14 +446,14 @@
           <div class="bd-content">
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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@@ -572,10 +578,10 @@
 
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+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,24 +617,22 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock"><code class="docutils literal notranslate"><span class="pre">InteractionBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.QuadrupletInteraction"><code class="docutils literal notranslate"><span class="pre">QuadrupletInteraction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.QuadrupletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">QuadrupletInteraction.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock"><code class="docutils literal notranslate"><span class="pre">InteractionBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock.forward"><code class="docutils literal notranslate"><span class="pre">InteractionBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.QuadrupletInteraction"><code class="docutils literal notranslate"><span class="pre">QuadrupletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.QuadrupletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">QuadrupletInteraction.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.PairInteraction"><code class="docutils literal notranslate"><span class="pre">PairInteraction</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.PairInteraction.forward"><code class="docutils literal notranslate"><span class="pre">PairInteraction.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.TripletInteraction"><code class="docutils literal notranslate"><span class="pre">TripletInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.TripletInteraction.forward"><code class="docutils literal notranslate"><span class="pre">TripletInteraction.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.PairInteraction"><code class="docutils literal notranslate"><span class="pre">PairInteraction</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.interaction_block.PairInteraction.forward"><code class="docutils literal notranslate"><span class="pre">PairInteraction.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -645,15 +649,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.interaction_block">
-<span id="core-models-gemnet-oc-layers-interaction-block"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.interaction_block" title="core.models.gemnet_oc.layers.interaction_block"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.interaction_block</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.interaction_block" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-interaction-block"></span><h1>core.models.gemnet_oc.layers.interaction_block<a class="headerlink" href="#module-core.models.gemnet_oc.layers.interaction_block" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <section id="classes">
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock" title="core.models.gemnet_oc.layers.interaction_block.InteractionBlock"><code class="xref py py-obj docutils literal notranslate"><span class="pre">InteractionBlock</span></code></a></p></td>
 <td><p>Interaction block for GemNet-Q/dQ.</p></td>
@@ -669,6 +671,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.interaction_block.InteractionBlock">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.interaction_block.</span></span><span class="sig-name descname"><span class="pre">InteractionBlock</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">emb_size_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_edge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_trip_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_quad_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_a2a_in</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_a2a_out</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">emb_size_sbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_before_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_after_skip</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_concat</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atom_emb_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">quad_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_edge_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atom_interaction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activation</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.interaction_block.InteractionBlock" title="Link to this definition">#</a></dt>
@@ -828,7 +834,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
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@@ -440,14 +446,14 @@
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@@ -611,32 +617,30 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis"><code class="docutils literal notranslate"><span class="pre">GaussianBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis.forward"><code class="docutils literal notranslate"><span class="pre">GaussianBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis"><code class="docutils literal notranslate"><span class="pre">GaussianBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis.forward"><code class="docutils literal notranslate"><span class="pre">GaussianBasis.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.SphericalBesselBasis"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.SphericalBesselBasis.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBesselBasis.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.BernsteinBasis"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.BernsteinBasis.forward"><code class="docutils literal notranslate"><span class="pre">BernsteinBasis.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.RadialBasis"><code class="docutils literal notranslate"><span class="pre">RadialBasis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.RadialBasis.forward"><code class="docutils literal notranslate"><span class="pre">RadialBasis.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -653,15 +657,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.radial_basis">
-<span id="core-models-gemnet-oc-layers-radial-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.radial_basis" title="core.models.gemnet_oc.layers.radial_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.radial_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.radial_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-radial-basis"></span><h1>core.models.gemnet_oc.layers.radial_basis<a class="headerlink" href="#module-core.models.gemnet_oc.layers.radial_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope" title="core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a></p></td>
 <td><p>Polynomial envelope function that ensures a smooth cutoff.</p></td>
@@ -688,6 +690,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.radial_basis.</span></span><span class="sig-name descname"><span class="pre">PolynomialEnvelope</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">exponent</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope" title="Link to this definition">#</a></dt>
@@ -829,7 +835,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.interaction_block</p>
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+        <p class="prev-next-title">core.models.gemnet_oc.layers.spherical_basis</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">PolynomialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis"><code class="docutils literal notranslate"><span class="pre">GaussianBasis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.GaussianBasis.forward"><code class="docutils literal notranslate"><span class="pre">GaussianBasis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope.forward"><code class="docutils literal notranslate"><span class="pre">ExponentialEnvelope.forward()</span></code></a></li>
 </ul>
 </li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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@@ -440,14 +446,14 @@
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@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
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                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer.forward()</span></code></a></li>
 </ul>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer"><code class="docutils literal notranslate"><span class="pre">SphericalBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBasisLayer.forward()</span></code></a></li>
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@@ -637,15 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.layers.spherical_basis">
-<span id="core-models-gemnet-oc-layers-spherical-basis"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.layers.spherical_basis" title="core.models.gemnet_oc.layers.spherical_basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.spherical_basis</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.layers.spherical_basis" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-layers-spherical-basis"></span><h1>core.models.gemnet_oc.layers.spherical_basis<a class="headerlink" href="#module-core.models.gemnet_oc.layers.spherical_basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer" title="core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CircularBasisLayer</span></code></a></p></td>
 <td><p>2D Fourier Bessel Basis</p></td>
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 </tr>
 </tbody>
 </table>
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 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.layers.spherical_basis.</span></span><span class="sig-name descname"><span class="pre">CircularBasisLayer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_spherical</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radial_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="../radial_basis/index.html#core.models.gemnet_oc.layers.radial_basis.RadialBasis" title="core.models.gemnet_oc.layers.radial_basis.RadialBasis"><span class="pre">core.models.gemnet_oc.layers.radial_basis.RadialBasis</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_basis</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer" title="Link to this definition">#</a></dt>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">SphericalBasisLayer.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer.forward"><code class="docutils literal notranslate"><span class="pre">CircularBasisLayer.forward()</span></code></a></li>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,22 +617,20 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.masked_select_sparsetensor_flat"><code class="docutils literal notranslate"><span class="pre">masked_select_sparsetensor_flat()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.inner_product_clamped"><code class="docutils literal notranslate"><span class="pre">inner_product_clamped()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_angle"><code class="docutils literal notranslate"><span class="pre">get_angle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.vector_rejection"><code class="docutils literal notranslate"><span class="pre">vector_rejection()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_projected_angle"><code class="docutils literal notranslate"><span class="pre">get_projected_angle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_neighbor_order"><code class="docutils literal notranslate"><span class="pre">get_neighbor_order()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_inner_idx"><code class="docutils literal notranslate"><span class="pre">get_inner_idx()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.masked_select_sparsetensor_flat"><code class="docutils literal notranslate"><span class="pre">masked_select_sparsetensor_flat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.inner_product_clamped"><code class="docutils literal notranslate"><span class="pre">inner_product_clamped()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_angle"><code class="docutils literal notranslate"><span class="pre">get_angle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.vector_rejection"><code class="docutils literal notranslate"><span class="pre">vector_rejection()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_projected_angle"><code class="docutils literal notranslate"><span class="pre">get_projected_angle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_neighbor_order"><code class="docutils literal notranslate"><span class="pre">get_neighbor_order()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_inner_idx"><code class="docutils literal notranslate"><span class="pre">get_inner_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,15 +645,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.gemnet_oc.utils">
-<span id="core-models-gemnet-oc-utils"></span><h1><a class="reference internal" href="#module-core.models.gemnet_oc.utils" title="core.models.gemnet_oc.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></a><a class="headerlink" href="#module-core.models.gemnet_oc.utils" title="Link to this heading">#</a></h1>
+<span id="core-models-gemnet-oc-utils"></span><h1>core.models.gemnet_oc.utils<a class="headerlink" href="#module-core.models.gemnet_oc.utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.
 This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.gemnet_oc.utils.ragged_range" title="core.models.gemnet_oc.utils.ragged_range"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ragged_range</span></code></a>(sizes)</p></td>
 <td><p>Multiple concatenated ranges.</p></td>
@@ -689,6 +691,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.gemnet_oc.utils.ragged_range">
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.utils.</span></span><span class="sig-name descname"><span class="pre">ragged_range</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sizes</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.utils.ragged_range" title="Link to this definition">#</a></dt>
@@ -865,7 +871,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.gemnet_oc.utils.</span></span><span class="sig-name descname"><span class="pre">get_edge_id</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_idx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cell_offsets</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.gemnet_oc.utils.get_edge_id" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -896,7 +901,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -905,7 +910,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.interaction_indices</p>
       </div>
     </a>
     <a class="right-next"
@@ -913,7 +918,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></p>
+        <p class="prev-next-title">core.models.painn</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -933,22 +938,20 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.masked_select_sparsetensor_flat"><code class="docutils literal notranslate"><span class="pre">masked_select_sparsetensor_flat()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.inner_product_clamped"><code class="docutils literal notranslate"><span class="pre">inner_product_clamped()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_angle"><code class="docutils literal notranslate"><span class="pre">get_angle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.vector_rejection"><code class="docutils literal notranslate"><span class="pre">vector_rejection()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_projected_angle"><code class="docutils literal notranslate"><span class="pre">get_projected_angle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_neighbor_order"><code class="docutils literal notranslate"><span class="pre">get_neighbor_order()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_inner_idx"><code class="docutils literal notranslate"><span class="pre">get_inner_idx()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.ragged_range"><code class="docutils literal notranslate"><span class="pre">ragged_range()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.masked_select_sparsetensor_flat"><code class="docutils literal notranslate"><span class="pre">masked_select_sparsetensor_flat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.calculate_interatomic_vectors"><code class="docutils literal notranslate"><span class="pre">calculate_interatomic_vectors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.inner_product_clamped"><code class="docutils literal notranslate"><span class="pre">inner_product_clamped()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_angle"><code class="docutils literal notranslate"><span class="pre">get_angle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.vector_rejection"><code class="docutils literal notranslate"><span class="pre">vector_rejection()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_projected_angle"><code class="docutils literal notranslate"><span class="pre">get_projected_angle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.mask_neighbors"><code class="docutils literal notranslate"><span class="pre">mask_neighbors()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_neighbor_order"><code class="docutils literal notranslate"><span class="pre">get_neighbor_order()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_inner_idx"><code class="docutils literal notranslate"><span class="pre">get_inner_idx()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.gemnet_oc.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -999,8 +1002,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/core/models/index.html b/autoapi/core/models/index.html
index 4eb757927..3f2f27399 100644
--- a/autoapi/core/models/index.html
+++ b/autoapi/core/models/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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     <script src="../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
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+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../modules/scaling/index.html">core.modules.scaling</a></li>
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+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
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+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -615,13 +621,11 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,108 +640,19 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models">
-<span id="core-models"></span><h1><a class="reference internal" href="#module-core.models" title="core.models"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models</span></code></a><a class="headerlink" href="#module-core.models" title="Link to this heading">#</a></h1>
+<span id="core-models"></span><h1>core.models<a class="headerlink" href="#module-core.models" title="Link to this heading">#</a></h1>
 <section id="subpackages">
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="equiformer_v2/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="equiformer_v2/trainers/energy_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.energy_trainer</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="equiformer_v2/trainers/forces_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.forces_trainer</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="equiformer_v2/trainers/lr_scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.trainers.lr_scheduler</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/activation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.activation</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/drop/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.drop</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/edge_rot_mat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.edge_rot_mat</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/equiformer_v2_oc20/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.equiformer_v2_oc20</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/gaussian_rbf/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.gaussian_rbf</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/input_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.input_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/layer_norm/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.layer_norm</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/module_list/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.module_list</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/radial_function/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.radial_function</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/so2_ops/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so2_ops</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.so3</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/transformer_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.transformer_block</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="equiformer_v2/wigner/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2.wigner</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="escn/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.escn</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="escn/so3/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn.so3</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="gemnet/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.base_layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.basis_utils</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.efficient</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.embedding_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.interaction_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.radial_basis</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet/layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.gemnet</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.initializers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_gp/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.base_layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.basis_utils</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.efficient</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.embedding_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.interaction_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.radial_basis</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_gp/layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_gp/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.gemnet</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_gp/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.initializers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_gp/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_oc/layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers</span></code></a><ul>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/atom_update_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.atom_update_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/base_layers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.base_layers</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/basis_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.basis_utils</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/efficient/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.efficient</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/embedding_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.embedding_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/force_scaler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.force_scaler</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/interaction_block/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.interaction_block</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/radial_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.radial_basis</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="gemnet_oc/layers/spherical_basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.layers.spherical_basis</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_oc/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_oc/initializers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.initializers</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_oc/interaction_indices/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.interaction_indices</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="gemnet_oc/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="painn/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.painn</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="painn/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="scn/sampling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.sampling</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scn/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.scn</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scn/smearing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.smearing</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scn/spherical_harmonics/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.spherical_harmonics</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="utils/activations/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.activations</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="utils/basis/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.basis</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l1"><a class="reference internal" href="escn/index.html">core.models.escn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l1"><a class="reference internal" href="painn/index.html">core.models.painn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="scn/index.html">core.models.scn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.models.utils</a></li>
 </ul>
 </div>
 </section>
@@ -745,34 +660,37 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="base/index.html">core.models.base</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l1"><a class="reference internal" href="model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l1"><a class="reference internal" href="schnet/index.html">core.models.schnet</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.model_name_to_local_file" title="core.models.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
-<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.available_pretrained_models" title="core.models.available_pretrained_models"><code class="xref py py-obj docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></p></td>
+<td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.available_pretrained_models" title="core.models.available_pretrained_models"><code class="xref py py-obj docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.model_name_to_local_file" title="core.models.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
+<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.available_pretrained_models">
 <span class="sig-prename descclassname"><span class="pre">core.models.</span></span><span class="sig-name descname"><span class="pre">available_pretrained_models</span></span><a class="headerlink" href="#core.models.available_pretrained_models" title="Link to this definition">#</a></dt>
@@ -798,7 +716,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -829,7 +746,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
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@@ -838,7 +755,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></p>
+        <p class="prev-next-title">core.datasets.target_metadata_guesser</p>
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@@ -846,7 +763,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></p>
+        <p class="prev-next-title">core.models.equiformer_v2</p>
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@@ -868,13 +785,11 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
 </ul>
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@@ -925,8 +840,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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diff --git a/autoapi/core/models/model_registry/index.html b/autoapi/core/models/model_registry/index.html
index 5fe12d9a0..309f2825f 100644
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@@ -72,27 +72,23 @@
 
   
   
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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@@ -583,14 +589,14 @@
 
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,25 +637,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.model_registry">
-<span id="core-models-model-registry"></span><h1><a class="reference internal" href="#module-core.models.model_registry" title="core.models.model_registry"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a><a class="headerlink" href="#module-core.models.model_registry" title="Link to this heading">#</a></h1>
+<span id="core-models-model-registry"></span><h1>core.models.model_registry<a class="headerlink" href="#module-core.models.model_registry" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.model_registry.model_name_to_local_file" title="core.models.model_registry.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
-<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
-</tr>
-</tbody>
-</table>
-</section>
 <section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.model_registry.MODEL_REGISTRY" title="core.models.model_registry.MODEL_REGISTRY"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></p></td>
 <td><p></p></td>
@@ -661,6 +653,21 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.model_registry.model_name_to_local_file" title="core.models.model_registry.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
+<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.model_registry.MODEL_REGISTRY">
 <span class="sig-prename descclassname"><span class="pre">core.models.model_registry.</span></span><span class="sig-name descname"><span class="pre">MODEL_REGISTRY</span></span><a class="headerlink" href="#core.models.model_registry.MODEL_REGISTRY" title="Link to this definition">#</a></dt>
@@ -691,7 +698,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
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-</section>
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 </section>
 
@@ -722,7 +728,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -731,7 +737,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></p>
+        <p class="prev-next-title">core.models.dimenet_plus_plus</p>
       </div>
     </a>
     <a class="right-next"
@@ -739,7 +745,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></p>
+        <p class="prev-next-title">core.models.schnet</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -759,14 +765,12 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -817,8 +821,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
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   <footer class="bd-footer">
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diff --git a/autoapi/core/models/painn/index.html b/autoapi/core/models/painn/index.html
index 4fc050f05..3b146f1a6 100644
--- a/autoapi/core/models/painn/index.html
+++ b/autoapi/core/models/painn/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -614,18 +620,16 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -642,27 +646,29 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.painn">
-<span id="core-models-painn"></span><h1><a class="reference internal" href="#module-core.models.painn" title="core.models.painn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a><a class="headerlink" href="#module-core.models.painn" title="Link to this heading">#</a></h1>
+<span id="core-models-painn"></span><h1>core.models.painn<a class="headerlink" href="#module-core.models.painn" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.painn</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.utils</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="painn/index.html">core.models.painn.painn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="utils/index.html">core.models.painn.utils</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.painn.PaiNN" title="core.models.painn.PaiNN"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PaiNN</span></code></a></p></td>
 <td><p>PaiNN model based on the description in Schütt et al. (2021):</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.painn.PaiNN">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.painn.</span></span><span class="sig-name descname"><span class="pre">PaiNN</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">512</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">12.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.painn.PaiNN" title="Link to this definition">#</a></dt>
@@ -670,11 +676,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <p>PaiNN model based on the description in Schütt et al. (2021):
 Equivariant message passing for the prediction of tensorial properties
 and molecular spectra, <a class="reference external" href="https://arxiv.org/abs/2102.03150">https://arxiv.org/abs/2102.03150</a>.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.painn.PaiNN.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.painn.PaiNN.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.painn.PaiNN.reset_parameters">
 <span class="sig-name descname"><span class="pre">reset_parameters</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.models.painn.PaiNN.reset_parameters" title="Link to this definition">#</a></dt>
@@ -708,6 +709,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.painn.PaiNN.forward" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.painn.PaiNN.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.painn.PaiNN.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.painn.PaiNN.__repr__">
 <span class="sig-name descname"><span class="pre">__repr__</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="headerlink" href="#core.models.painn.PaiNN.__repr__" title="Link to this definition">#</a></dt>
@@ -716,7 +722,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -747,7 +752,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -756,7 +761,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.utils</span></code></p>
+        <p class="prev-next-title">core.models.gemnet_oc.utils</p>
       </div>
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     <a class="right-next"
@@ -764,7 +769,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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+        <p class="prev-next-title">core.models.painn.painn</p>
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@@ -785,18 +790,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
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-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,41 +619,39 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN"><code class="docutils literal notranslate"><span class="pre">PaiNN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNN.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.select_symmetric_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.select_symmetric_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.symmetrize_edges"><code class="docutils literal notranslate"><span class="pre">PaiNN.symmetrize_edges()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.generate_graph_values"><code class="docutils literal notranslate"><span class="pre">PaiNN.generate_graph_values()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.forward"><code class="docutils literal notranslate"><span class="pre">PaiNN.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.num_params"><code class="docutils literal notranslate"><span class="pre">PaiNN.num_params</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNN.__repr__"><code class="docutils literal notranslate"><span class="pre">PaiNN.__repr__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.message"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.message()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.aggregate"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.aggregate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.update"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.update()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.message"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.message()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.aggregate"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.aggregate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNMessage.update"><code class="docutils literal notranslate"><span class="pre">PaiNNMessage.update()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNUpdate.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNUpdate.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock.reset_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock.forward"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput.reset_parameters"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.PaiNNOutput.forward"><code class="docutils literal notranslate"><span class="pre">PaiNNOutput.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock.reset_parameters"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock.reset_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.painn.GatedEquivariantBlock.forward"><code class="docutils literal notranslate"><span class="pre">GatedEquivariantBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -664,7 +668,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.painn.painn">
-<span id="core-models-painn-painn"></span><h1><a class="reference internal" href="#module-core.models.painn.painn" title="core.models.painn.painn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.painn</span></code></a><a class="headerlink" href="#module-core.models.painn.painn" title="Link to this heading">#</a></h1>
+<span id="core-models-painn-painn"></span><h1>core.models.painn.painn<a class="headerlink" href="#module-core.models.painn.painn" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -686,11 +690,9 @@ <h2> Contents </h2>
 LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
 OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
 SOFTWARE.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.painn.painn.PaiNN" title="core.models.painn.painn.PaiNN"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PaiNN</span></code></a></p></td>
 <td><p>PaiNN model based on the description in Schütt et al. (2021):</p></td>
@@ -709,6 +711,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.painn.painn.PaiNN">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.painn.painn.</span></span><span class="sig-name descname"><span class="pre">PaiNN</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">512</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_layers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">12.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">rbf</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">envelope</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">83</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.painn.painn.PaiNN" title="Link to this definition">#</a></dt>
@@ -716,11 +722,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <p>PaiNN model based on the description in Schütt et al. (2021):
 Equivariant message passing for the prediction of tensorial properties
 and molecular spectra, <a class="reference external" href="https://arxiv.org/abs/2102.03150">https://arxiv.org/abs/2102.03150</a>.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.painn.painn.PaiNN.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.painn.painn.PaiNN.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.painn.painn.PaiNN.reset_parameters">
 <span class="sig-name descname"><span class="pre">reset_parameters</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.models.painn.painn.PaiNN.reset_parameters" title="Link to this definition">#</a></dt>
@@ -754,6 +755,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,15 +635,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.painn.utils">
-<span id="core-models-painn-utils"></span><h1><a class="reference internal" href="#module-core.models.painn.utils" title="core.models.painn.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.utils</span></code></a><a class="headerlink" href="#module-core.models.painn.utils" title="Link to this heading">#</a></h1>
+<span id="core-models-painn-utils"></span><h1>core.models.painn.utils<a class="headerlink" href="#module-core.models.painn.utils" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.painn.utils.repeat_blocks" title="core.models.painn.utils.repeat_blocks"><code class="xref py py-obj docutils literal notranslate"><span class="pre">repeat_blocks</span></code></a>(→ torch.Tensor)</p></td>
 <td><p>Repeat blocks of indices.</p></td>
@@ -649,6 +651,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.painn.utils.repeat_blocks">
 <span class="sig-prename descclassname"><span class="pre">core.models.painn.utils.</span></span><span class="sig-name descname"><span class="pre">repeat_blocks</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sizes</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">repeats</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">continuous_indexing</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">start_idx</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">block_inc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">repeat_inc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.painn.utils.repeat_blocks" title="Link to this definition">#</a></dt>
@@ -689,7 +695,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.painn.utils.</span></span><span class="sig-name descname"><span class="pre">get_edge_id</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">edge_idx</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cell_offsets</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.painn.utils.get_edge_id" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -720,7 +725,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -729,7 +734,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn.painn</span></code></p>
+        <p class="prev-next-title">core.models.painn.painn</p>
       </div>
     </a>
     <a class="right-next"
@@ -737,7 +742,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></p>
+        <p class="prev-next-title">core.models.scn</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -757,12 +762,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.repeat_blocks"><code class="docutils literal notranslate"><span class="pre">repeat_blocks()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.painn.utils.get_edge_id"><code class="docutils literal notranslate"><span class="pre">get_edge_id()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -813,8 +816,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/core/models/schnet/index.html b/autoapi/core/models/schnet/index.html
index e81455a6b..50040e8e4 100644
--- a/autoapi/core/models/schnet/index.html
+++ b/autoapi/core/models/schnet/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
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     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../../common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-7" name="toctree-checkbox-7" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-7"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../../datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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   <span class="fa-solid fa-bars"></span>
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+</button></div>
       
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@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
 </div></div>
       
     </div>
@@ -613,14 +619,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap"><code class="docutils literal notranslate"><span class="pre">SchNetWrap</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.num_params"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap._forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap"><code class="docutils literal notranslate"><span class="pre">SchNetWrap</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap._forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.num_params"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,21 +641,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.schnet">
-<span id="core-models-schnet"></span><h1><a class="reference internal" href="#module-core.models.schnet" title="core.models.schnet"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a><a class="headerlink" href="#module-core.models.schnet" title="Link to this heading">#</a></h1>
+<span id="core-models-schnet"></span><h1>core.models.schnet<a class="headerlink" href="#module-core.models.schnet" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.schnet.SchNetWrap" title="core.models.schnet.SchNetWrap"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SchNetWrap</span></code></a></p></td>
 <td><p>Wrapper around the continuous-filter convolutional neural network SchNet from the</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.schnet.SchNetWrap">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.schnet.</span></span><span class="sig-name descname"><span class="pre">SchNetWrap</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_filters</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_interactions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_gaussians</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">50</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">10.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">readout</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'add'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.schnet.SchNetWrap" title="Link to this definition">#</a></dt>
@@ -691,11 +697,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </ul>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.models.schnet.SchNetWrap.num_params">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.schnet.SchNetWrap.num_params" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.models.schnet.SchNetWrap._forward">
 <span class="sig-name descname"><span class="pre">_forward</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.schnet.SchNetWrap._forward" title="Link to this definition">#</a></dt>
@@ -719,9 +720,13 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </dl>
 </dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.models.schnet.SchNetWrap.num_params">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_params</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">int</span></em><a class="headerlink" href="#core.models.schnet.SchNetWrap.num_params" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -752,7 +757,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
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@@ -789,14 +794,12 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap"><code class="docutils literal notranslate"><span class="pre">SchNetWrap</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.num_params"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap._forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.forward"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap"><code class="docutils literal notranslate"><span class="pre">SchNetWrap</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.schnet.SchNetWrap.num_params"><code class="docutils literal notranslate"><span class="pre">SchNetWrap.num_params</span></code></a></li>
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 </form></div>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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-</li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -572,10 +578,10 @@
 
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@@ -583,14 +589,14 @@
 
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -612,22 +618,20 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc2</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -644,29 +648,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.scn">
-<span id="core-models-scn"></span><h1><a class="reference internal" href="#module-core.models.scn" title="core.models.scn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a><a class="headerlink" href="#module-core.models.scn" title="Link to this heading">#</a></h1>
+<span id="core-models-scn"></span><h1>core.models.scn<a class="headerlink" href="#module-core.models.scn" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="sampling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.sampling</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.scn</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="smearing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.smearing</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="spherical_harmonics/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.spherical_harmonics</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="sampling/index.html">core.models.scn.sampling</a></li>
+<li class="toctree-l1"><a class="reference internal" href="scn/index.html">core.models.scn.scn</a></li>
+<li class="toctree-l1"><a class="reference internal" href="smearing/index.html">core.models.scn.smearing</a></li>
+<li class="toctree-l1"><a class="reference internal" href="spherical_harmonics/index.html">core.models.scn.spherical_harmonics</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.SphericalChannelNetwork" title="core.models.scn.SphericalChannelNetwork"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a></p></td>
 <td><p>Spherical Channel Network</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.scn.SphericalChannelNetwork">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.scn.</span></span><span class="sig-name descname"><span class="pre">SphericalChannelNetwork</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">20</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">90</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_interactions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_resolutions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels_reduce</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">256</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_taps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">-1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_grid</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_bands</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sphere_samples</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_basis_functions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'gaussian'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">basis_width_scalar</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_resolution</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.02</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">show_timing_info</span></span><span class="p"><span 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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.sampling.CalcSpherePoints"><code class="docutils literal notranslate"><span class="pre">CalcSpherePoints()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.sampling.CalcSpherePointsRandom"><code class="docutils literal notranslate"><span class="pre">CalcSpherePointsRandom()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.sampling.CalcSpherePoints"><code class="docutils literal notranslate"><span class="pre">CalcSpherePoints()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.sampling.CalcSpherePointsRandom"><code class="docutils literal notranslate"><span class="pre">CalcSpherePointsRandom()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,15 +635,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.scn.sampling">
-<span id="core-models-scn-sampling"></span><h1><a class="reference internal" href="#module-core.models.scn.sampling" title="core.models.scn.sampling"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.sampling</span></code></a><a class="headerlink" href="#module-core.models.scn.sampling" title="Link to this heading">#</a></h1>
+<span id="core-models-scn-sampling"></span><h1>core.models.scn.sampling<a class="headerlink" href="#module-core.models.scn.sampling" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.sampling.CalcSpherePoints" title="core.models.scn.sampling.CalcSpherePoints"><code class="xref py py-obj docutils literal notranslate"><span class="pre">CalcSpherePoints</span></code></a>(→ torch.Tensor)</p></td>
 <td><p></p></td>
@@ -649,6 +651,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.models.scn.sampling.CalcSpherePoints">
 <span class="sig-prename descclassname"><span class="pre">core.models.scn.sampling.</span></span><span class="sig-name descname"><span class="pre">CalcSpherePoints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_points</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'cpu'</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.scn.sampling.CalcSpherePoints" title="Link to this definition">#</a></dt>
@@ -659,7 +665,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.models.scn.sampling.</span></span><span class="sig-name descname"><span class="pre">CalcSpherePointsRandom</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_points</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch.Tensor</span></span></span><a class="headerlink" href="#core.models.scn.sampling.CalcSpherePointsRandom" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -690,7 +695,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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@@ -572,10 +578,10 @@
 
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,34 +617,32 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc2</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock.forward"><code class="docutils literal notranslate"><span class="pre">MessageBlock.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock"><code class="docutils literal notranslate"><span class="pre">DistanceBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock.forward"><code class="docutils literal notranslate"><span class="pre">DistanceBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock.forward"><code class="docutils literal notranslate"><span class="pre">MessageBlock.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock"><code class="docutils literal notranslate"><span class="pre">DistanceBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock.forward"><code class="docutils literal notranslate"><span class="pre">DistanceBlock.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -655,15 +659,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.scn.scn">
-<span id="core-models-scn-scn"></span><h1><a class="reference internal" href="#module-core.models.scn.scn" title="core.models.scn.scn"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.scn</span></code></a><a class="headerlink" href="#module-core.models.scn.scn" title="Link to this heading">#</a></h1>
+<span id="core-models-scn-scn"></span><h1>core.models.scn.scn<a class="headerlink" href="#module-core.models.scn.scn" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.scn.SphericalChannelNetwork" title="core.models.scn.scn.SphericalChannelNetwork"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a></p></td>
 <td><p>Spherical Channel Network</p></td>
@@ -679,6 +681,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.scn.scn.SphericalChannelNetwork">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.scn.scn.</span></span><span class="sig-name descname"><span class="pre">SphericalChannelNetwork</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">num_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bond_feat_dim</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_targets</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">regress_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">otf_graph</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_neighbors</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">20</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cutoff</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_num_elements</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">90</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_interactions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">lmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mmax</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_resolutions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sphere_channels_reduce</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hidden_channels</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">256</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_taps</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">-1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_grid</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_bands</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sphere_samples</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_basis_functions</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">128</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_function</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'gaussian'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">basis_width_scalar</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">distance_resolution</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.02</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">show_timing_info</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">direct_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.scn.scn.SphericalChannelNetwork" title="Link to this definition">#</a></dt>
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 <dd></dd></dl>
 
+<dl class="py property">
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+
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@@ -896,7 +902,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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+        <p class="prev-next-title">core.models.scn.sampling</p>
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@@ -964,34 +969,32 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.energy_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.energy_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc1"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc1</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc2"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc2</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.force_fc3"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.force_fc3</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.forward"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._forward_helper"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._forward_helper()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._init_edge_rot_mat"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._init_edge_rot_mat()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork._rank_edge_distances"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork._rank_edge_distances()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.SphericalChannelNetwork.num_params"><code class="docutils literal notranslate"><span class="pre">SphericalChannelNetwork.num_params</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock"><code class="docutils literal notranslate"><span class="pre">EdgeBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.EdgeBlock.forward"><code class="docutils literal notranslate"><span class="pre">EdgeBlock.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock"><code class="docutils literal notranslate"><span class="pre">DistanceBlock</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock.forward"><code class="docutils literal notranslate"><span class="pre">DistanceBlock.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock"><code class="docutils literal notranslate"><span class="pre">MessageBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.MessageBlock.forward"><code class="docutils literal notranslate"><span class="pre">MessageBlock.forward()</span></code></a></li>
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 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock"><code class="docutils literal notranslate"><span class="pre">DistanceBlock</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.scn.DistanceBlock.forward"><code class="docutils literal notranslate"><span class="pre">DistanceBlock.forward()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
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+      <main id="main-content" class="bd-main" role="main">
         
         
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.LinearSigmoidSmearing.forward"><code class="docutils literal notranslate"><span class="pre">LinearSigmoidSmearing.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SiLUSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SiLUSmearing.forward()</span></code></a></li>
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@@ -645,15 +649,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.scn.smearing">
-<span id="core-models-scn-smearing"></span><h1><a class="reference internal" href="#module-core.models.scn.smearing" title="core.models.scn.smearing"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.smearing</span></code></a><a class="headerlink" href="#module-core.models.scn.smearing" title="Link to this heading">#</a></h1>
+<span id="core-models-scn-smearing"></span><h1>core.models.scn.smearing<a class="headerlink" href="#module-core.models.scn.smearing" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
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-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
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 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.smearing.GaussianSmearing" title="core.models.scn.smearing.GaussianSmearing"><code class="xref py py-obj docutils literal notranslate"><span class="pre">GaussianSmearing</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -669,6 +671,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
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 <dt class="sig sig-object py" id="core.models.scn.smearing.GaussianSmearing">
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.GaussianSmearing.forward"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.GaussianSmearing"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.GaussianSmearing.forward"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SigmoidSmearing"><code class="docutils literal notranslate"><span class="pre">SigmoidSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SigmoidSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SigmoidSmearing.forward()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SiLUSmearing"><code class="docutils literal notranslate"><span class="pre">SiLUSmearing</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SiLUSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SiLUSmearing.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.LinearSigmoidSmearing"><code class="docutils literal notranslate"><span class="pre">LinearSigmoidSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.LinearSigmoidSmearing.forward"><code class="docutils literal notranslate"><span class="pre">LinearSigmoidSmearing.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SiLUSmearing"><code class="docutils literal notranslate"><span class="pre">SiLUSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.smearing.SiLUSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SiLUSmearing.forward()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -611,29 +617,27 @@ <h2> Contents </h2>
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-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitWignerDMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitYRotMapping"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitYRotMapping()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.ToGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.ToGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FromGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FromGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.CombineYRotations"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.CombineYRotations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.Rotate"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.Rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FlipGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FlipGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateInv"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateInv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateWigner"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateWigner()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationToWignerDMatrix()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -648,25 +652,35 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.scn.spherical_harmonics">
-<span id="core-models-scn-spherical-harmonics"></span><h1><a class="reference internal" href="#module-core.models.scn.spherical_harmonics" title="core.models.scn.spherical_harmonics"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.spherical_harmonics</span></code></a><a class="headerlink" href="#module-core.models.scn.spherical_harmonics" title="Link to this heading">#</a></h1>
+<span id="core-models-scn-spherical-harmonics"></span><h1>core.models.scn.spherical_harmonics<a class="headerlink" href="#module-core.models.scn.spherical_harmonics" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.spherical_harmonics._Jd" title="core.models.scn.spherical_harmonics._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper" title="core.models.scn.spherical_harmonics.SphericalHarmonicsHelper"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper</span></code></a></p></td>
 <td><p>Helper functions for spherical harmonics calculations and representations</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.spherical_harmonics.wigner_D" title="core.models.scn.spherical_harmonics.wigner_D"><code class="xref py py-obj docutils literal notranslate"><span class="pre">wigner_D</span></code></a>(l, alpha, beta, gamma)</p></td>
 <td><p></p></td>
@@ -676,16 +690,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.models.scn.spherical_harmonics._Jd" title="core.models.scn.spherical_harmonics._Jd"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Jd</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.models.scn.spherical_harmonics._Jd">
 <span class="sig-prename descclassname"><span class="pre">core.models.scn.spherical_harmonics.</span></span><span class="sig-name descname"><span class="pre">_Jd</span></span><a class="headerlink" href="#core.models.scn.spherical_harmonics._Jd" title="Link to this definition">#</a></dt>
@@ -772,7 +780,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.models.scn.spherical_harmonics.</span></span><span class="sig-name descname"><span class="pre">_z_rot_mat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">angle</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">l</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.scn.spherical_harmonics._z_rot_mat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -803,7 +810,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -812,7 +819,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.smearing</span></code></p>
+        <p class="prev-next-title">core.models.scn.smearing</p>
       </div>
     </a>
     <a class="right-next"
@@ -820,7 +827,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></p>
+        <p class="prev-next-title">core.models.utils</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -840,29 +847,27 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitWignerDMatrix()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitYRotMapping"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitYRotMapping()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.ToGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.ToGrid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FromGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FromGrid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.CombineYRotations"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.CombineYRotations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.Rotate"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.Rotate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FlipGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FlipGrid()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateInv"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateInv()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateWigner"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateWigner()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationMatrix()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationToWignerDMatrix()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._Jd"><code class="docutils literal notranslate"><span class="pre">_Jd</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitWignerDMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitYRotMapping"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.InitYRotMapping()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.ToGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.ToGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FromGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FromGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.CombineYRotations"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.CombineYRotations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.Rotate"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.Rotate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FlipGrid"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.FlipGrid()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateInv"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateInv()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotateWigner"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotateWigner()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationMatrix()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.SphericalHarmonicsHelper.RotationToWignerDMatrix"><code class="docutils literal notranslate"><span class="pre">SphericalHarmonicsHelper.RotationToWignerDMatrix()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics.wigner_D"><code class="docutils literal notranslate"><span class="pre">wigner_D()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.scn.spherical_harmonics._z_rot_mat"><code class="docutils literal notranslate"><span class="pre">_z_rot_mat()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -913,8 +918,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
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index fa1f79317..bbbe6ed88 100644
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 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
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 <td><p>Base class for all neural network modules.</p></td>
 </tr>
 </tbody>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,39 +617,37 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Sine"><code class="docutils literal notranslate"><span class="pre">Sine</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Sine.forward"><code class="docutils literal notranslate"><span class="pre">Sine.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SIREN"><code class="docutils literal notranslate"><span class="pre">SIREN</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SIREN.forward"><code class="docutils literal notranslate"><span class="pre">SIREN.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Sine"><code class="docutils literal notranslate"><span class="pre">Sine</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Sine.forward"><code class="docutils literal notranslate"><span class="pre">Sine.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SINESmearing"><code class="docutils literal notranslate"><span class="pre">SINESmearing</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SINESmearing.forward"><code class="docutils literal notranslate"><span class="pre">SINESmearing.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SIREN"><code class="docutils literal notranslate"><span class="pre">SIREN</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SIREN.forward"><code class="docutils literal notranslate"><span class="pre">SIREN.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.GaussianSmearing"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.GaussianSmearing.forward"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SINESmearing"><code class="docutils literal notranslate"><span class="pre">SINESmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SINESmearing.forward"><code class="docutils literal notranslate"><span class="pre">SINESmearing.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing"><code class="docutils literal notranslate"><span class="pre">FourierSmearing</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing.forward"><code class="docutils literal notranslate"><span class="pre">FourierSmearing.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.GaussianSmearing"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.GaussianSmearing.forward"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis"><code class="docutils literal notranslate"><span class="pre">Basis</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis.smearing"><code class="docutils literal notranslate"><span class="pre">Basis.smearing</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis.forward"><code class="docutils literal notranslate"><span class="pre">Basis.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing"><code class="docutils literal notranslate"><span class="pre">FourierSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing.forward"><code class="docutils literal notranslate"><span class="pre">FourierSmearing.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.m"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.m</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.n"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.n</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis"><code class="docutils literal notranslate"><span class="pre">Basis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis.smearing"><code class="docutils literal notranslate"><span class="pre">Basis.smearing</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis.forward"><code class="docutils literal notranslate"><span class="pre">Basis.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.m"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.m</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.n"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.n</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -660,15 +664,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.utils.basis">
-<span id="core-models-utils-basis"></span><h1><a class="reference internal" href="#module-core.models.utils.basis" title="core.models.utils.basis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.basis</span></code></a><a class="headerlink" href="#module-core.models.utils.basis" title="Link to this heading">#</a></h1>
+<span id="core-models-utils-basis"></span><h1>core.models.utils.basis<a class="headerlink" href="#module-core.models.utils.basis" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.models.utils.basis.Sine" title="core.models.utils.basis.Sine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Sine</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -693,6 +695,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.models.utils.basis.Sine">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.models.utils.basis.</span></span><span class="sig-name descname"><span class="pre">Sine</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">w0</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">30.0</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.models.utils.basis.Sine" title="Link to this definition">#</a></dt>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.activations</span></code></p>
+        <p class="prev-next-title">core.models.utils.activations</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Sine"><code class="docutils literal notranslate"><span class="pre">Sine</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SIREN.forward"><code class="docutils literal notranslate"><span class="pre">SIREN.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SINESmearing.forward"><code class="docutils literal notranslate"><span class="pre">SINESmearing.forward()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.GaussianSmearing.forward"><code class="docutils literal notranslate"><span class="pre">GaussianSmearing.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing"><code class="docutils literal notranslate"><span class="pre">FourierSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.FourierSmearing.forward"><code class="docutils literal notranslate"><span class="pre">FourierSmearing.forward()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis"><code class="docutils literal notranslate"><span class="pre">Basis</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.Basis.smearing"><code class="docutils literal notranslate"><span class="pre">Basis.smearing</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.m"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.m</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.n"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.n</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.models.utils.basis.SphericalSmearing.forward"><code class="docutils literal notranslate"><span class="pre">SphericalSmearing.forward()</span></code></a></li>
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+
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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@@ -624,13 +630,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.models.utils">
-<span id="core-models-utils"></span><h1><a class="reference internal" href="#module-core.models.utils" title="core.models.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a><a class="headerlink" href="#module-core.models.utils" title="Link to this heading">#</a></h1>
+<span id="core-models-utils"></span><h1>core.models.utils<a class="headerlink" href="#module-core.models.utils" title="Link to this heading">#</a></h1>
 <section id="submodules">
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-<li class="toctree-l1"><a class="reference internal" href="activations/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils.activations</span></code></a></li>
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-                <footer class="prev-next-footer">
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       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn.spherical_harmonics</span></code></p>
+        <p class="prev-next-title">core.models.scn.spherical_harmonics</p>
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@@ -680,7 +686,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
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+        <p class="prev-next-title">core.models.utils.activations</p>
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+</ul>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,34 +617,32 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.NONE"><code class="docutils literal notranslate"><span class="pre">NONE</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator"><code class="docutils literal notranslate"><span class="pre">Evaluator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_metrics"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_metrics</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_primary_metric"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_primary_metric</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.eval"><code class="docutils literal notranslate"><span class="pre">Evaluator.eval()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.update"><code class="docutils literal notranslate"><span class="pre">Evaluator.update()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mae"><code class="docutils literal notranslate"><span class="pre">forcesx_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mse"><code class="docutils literal notranslate"><span class="pre">forcesx_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mae"><code class="docutils literal notranslate"><span class="pre">forcesy_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mse"><code class="docutils literal notranslate"><span class="pre">forcesy_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mae"><code class="docutils literal notranslate"><span class="pre">forcesz_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mse"><code class="docutils literal notranslate"><span class="pre">forcesz_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_forces_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_forces_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.average_distance_within_threshold"><code class="docutils literal notranslate"><span class="pre">average_distance_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.cosine_similarity"><code class="docutils literal notranslate"><span class="pre">cosine_similarity()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mae"><code class="docutils literal notranslate"><span class="pre">mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mse"><code class="docutils literal notranslate"><span class="pre">mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.magnitude_error"><code class="docutils literal notranslate"><span class="pre">magnitude_error()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.NONE"><code class="docutils literal notranslate"><span class="pre">NONE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator"><code class="docutils literal notranslate"><span class="pre">Evaluator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_metrics"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_metrics</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_primary_metric"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_primary_metric</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.eval"><code class="docutils literal notranslate"><span class="pre">Evaluator.eval()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.update"><code class="docutils literal notranslate"><span class="pre">Evaluator.update()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mae"><code class="docutils literal notranslate"><span class="pre">forcesx_mae()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mse"><code class="docutils literal notranslate"><span class="pre">forcesx_mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mae"><code class="docutils literal notranslate"><span class="pre">forcesy_mae()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mse"><code class="docutils literal notranslate"><span class="pre">forcesy_mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mae"><code class="docutils literal notranslate"><span class="pre">forcesz_mae()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mse"><code class="docutils literal notranslate"><span class="pre">forcesz_mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_forces_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_forces_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.average_distance_within_threshold"><code class="docutils literal notranslate"><span class="pre">average_distance_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.cosine_similarity"><code class="docutils literal notranslate"><span class="pre">cosine_similarity()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mae"><code class="docutils literal notranslate"><span class="pre">mae()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mse"><code class="docutils literal notranslate"><span class="pre">mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.magnitude_error"><code class="docutils literal notranslate"><span class="pre">magnitude_error()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -653,25 +657,35 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.evaluator">
-<span id="core-modules-evaluator"></span><h1><a class="reference internal" href="#module-core.modules.evaluator" title="core.modules.evaluator"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a><a class="headerlink" href="#module-core.modules.evaluator" title="Link to this heading">#</a></h1>
+<span id="core-modules-evaluator"></span><h1>core.modules.evaluator<a class="headerlink" href="#module-core.modules.evaluator" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.evaluator.NONE" title="core.modules.evaluator.NONE"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NONE</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.evaluator.Evaluator" title="core.modules.evaluator.Evaluator"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Evaluator</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.evaluator.forcesx_mae" title="core.modules.evaluator.forcesx_mae"><code class="xref py py-obj docutils literal notranslate"><span class="pre">forcesx_mae</span></code></a>(prediction, target[, key])</p></td>
 <td><p></p></td>
@@ -717,16 +731,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.evaluator.NONE" title="core.modules.evaluator.NONE"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NONE</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.modules.evaluator.NONE">
 <span class="sig-prename descclassname"><span class="pre">core.modules.evaluator.</span></span><span class="sig-name descname"><span class="pre">NONE</span></span><a class="headerlink" href="#core.modules.evaluator.NONE" title="Link to this definition">#</a></dt>
@@ -827,7 +835,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.modules.evaluator.</span></span><span class="sig-name descname"><span class="pre">magnitude_error</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">prediction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">torch.Tensor</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">target</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">torch.Tensor</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">key</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">collections.abc.Hashable</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">NONE</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">p</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">2</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">float</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">int</span><span class="p"><span class="pre">]</span></span></span></span><a class="headerlink" href="#core.modules.evaluator.magnitude_error" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -858,7 +865,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -867,7 +874,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.util</p>
       </div>
     </a>
     <a class="right-next"
@@ -875,7 +882,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></p>
+        <p class="prev-next-title">core.modules.exponential_moving_average</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -895,34 +902,32 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.NONE"><code class="docutils literal notranslate"><span class="pre">NONE</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator"><code class="docutils literal notranslate"><span class="pre">Evaluator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_metrics"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_metrics</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_primary_metric"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_primary_metric</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.eval"><code class="docutils literal notranslate"><span class="pre">Evaluator.eval()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.update"><code class="docutils literal notranslate"><span class="pre">Evaluator.update()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mae"><code class="docutils literal notranslate"><span class="pre">forcesx_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesx_mse"><code class="docutils literal notranslate"><span class="pre">forcesx_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mae"><code class="docutils literal notranslate"><span class="pre">forcesy_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mse"><code class="docutils literal notranslate"><span class="pre">forcesy_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mae"><code class="docutils literal notranslate"><span class="pre">forcesz_mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mse"><code class="docutils literal notranslate"><span class="pre">forcesz_mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_forces_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_forces_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.average_distance_within_threshold"><code class="docutils literal notranslate"><span class="pre">average_distance_within_threshold()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.cosine_similarity"><code class="docutils literal notranslate"><span class="pre">cosine_similarity()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mae"><code class="docutils literal notranslate"><span class="pre">mae()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mse"><code class="docutils literal notranslate"><span class="pre">mse()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.magnitude_error"><code class="docutils literal notranslate"><span class="pre">magnitude_error()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.NONE"><code class="docutils literal notranslate"><span class="pre">NONE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator"><code class="docutils literal notranslate"><span class="pre">Evaluator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_metrics"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_metrics</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.task_primary_metric"><code class="docutils literal notranslate"><span class="pre">Evaluator.task_primary_metric</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.eval"><code class="docutils literal notranslate"><span class="pre">Evaluator.eval()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.Evaluator.update"><code class="docutils literal notranslate"><span class="pre">Evaluator.update()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesy_mae"><code class="docutils literal notranslate"><span class="pre">forcesy_mae()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.forcesz_mse"><code class="docutils literal notranslate"><span class="pre">forcesz_mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_forces_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_forces_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.energy_within_threshold"><code class="docutils literal notranslate"><span class="pre">energy_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.average_distance_within_threshold"><code class="docutils literal notranslate"><span class="pre">average_distance_within_threshold()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.min_diff"><code class="docutils literal notranslate"><span class="pre">min_diff()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.cosine_similarity"><code class="docutils literal notranslate"><span class="pre">cosine_similarity()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mae"><code class="docutils literal notranslate"><span class="pre">mae()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.mse"><code class="docutils literal notranslate"><span class="pre">mse()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.evaluator.magnitude_error"><code class="docutils literal notranslate"><span class="pre">magnitude_error()</span></code></a></li>
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 </li>
 </ul>
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index 1ee6dc10e..e24870880 100644
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage._get_parameters"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage._get_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.update"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.update()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.copy_to"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.copy_to()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.store"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.store()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.restore"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.restore()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.state_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.load_state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.load_state_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage._get_parameters"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage._get_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.update"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.copy_to"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.copy_to()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.store"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.store()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.restore"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.restore()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.state_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.load_state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.load_state_dict()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,20 +643,22 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.exponential_moving_average">
-<span id="core-modules-exponential-moving-average"></span><h1><a class="reference internal" href="#module-core.modules.exponential_moving_average" title="core.modules.exponential_moving_average"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a><a class="headerlink" href="#module-core.modules.exponential_moving_average" title="Link to this heading">#</a></h1>
+<span id="core-modules-exponential-moving-average"></span><h1>core.modules.exponential_moving_average<a class="headerlink" href="#module-core.modules.exponential_moving_average" title="Link to this heading">#</a></h1>
 <p>Copied (and improved) from:
 <a class="github reference external" href="https://github.com/fadel/pytorch_ema/blob/master/torch_ema/ema.py">fadel/pytorch_ema</a> (MIT license)</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.exponential_moving_average.ExponentialMovingAverage" title="core.modules.exponential_moving_average.ExponentialMovingAverage"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ExponentialMovingAverage</span></code></a></p></td>
 <td><p>Maintains (exponential) moving average of a set of parameters.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.exponential_moving_average.ExponentialMovingAverage">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.exponential_moving_average.</span></span><span class="sig-name descname"><span class="pre">ExponentialMovingAverage</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">parameters</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">collections.abc.Iterable</span><span class="p"><span class="pre">[</span></span><span class="pre">torch.nn.Parameter</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">decay</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_num_updates</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.exponential_moving_average.ExponentialMovingAverage" title="Link to this definition">#</a></dt>
@@ -754,7 +760,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></p>
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+        <p class="prev-next-title">core.modules.loss</p>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage._get_parameters"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage._get_parameters()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.update"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.update()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.copy_to"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.copy_to()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.store"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.store()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.restore"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.restore()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.state_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.load_state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.load_state_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage._get_parameters"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage._get_parameters()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.update"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.update()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.copy_to"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.copy_to()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.store"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.store()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.restore"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.restore()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.state_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.exponential_moving_average.ExponentialMovingAverage.load_state_dict"><code class="docutils literal notranslate"><span class="pre">ExponentialMovingAverage.load_state_dict()</span></code></a></li>
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index ad3046e19..e7bf2d6d9 100644
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@@ -251,8 +254,8 @@
 
 
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -625,7 +631,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules">
-<span id="core-modules"></span><h1><a class="reference internal" href="#module-core.modules" title="core.modules"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><a class="headerlink" href="#module-core.modules" title="Link to this heading">#</a></h1>
+<span id="core-modules"></span><h1>core.modules<a class="headerlink" href="#module-core.modules" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -633,13 +639,7 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="scaling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="scaling/compat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.compat</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scaling/fit/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scaling/scale_factor/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="scaling/util/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="scaling/index.html">core.modules.scaling</a></li>
 </ul>
 </div>
 </section>
@@ -647,12 +647,12 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="exponential_moving_average/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="loss/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="normalizer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l1"><a class="reference internal" href="exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l1"><a class="reference internal" href="loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l1"><a class="reference internal" href="normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l1"><a class="reference internal" href="scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l1"><a class="reference internal" href="transforms/index.html">core.modules.transforms</a></li>
 </ul>
 </div>
 </section>
@@ -685,7 +685,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -694,7 +694,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></p>
+        <p class="prev-next-title">core.models.schnet</p>
       </div>
     </a>
     <a class="right-next"
@@ -702,7 +702,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></p>
+        <p class="prev-next-title">core.modules.scaling</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -772,8 +772,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/modules/loss/index.html b/autoapi/core/modules/loss/index.html
index 9b04245a1..ae6519723 100644
--- a/autoapi/core/modules/loss/index.html
+++ b/autoapi/core/modules/loss/index.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
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     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
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 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,20 +617,18 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss"><code class="docutils literal notranslate"><span class="pre">L2MAELoss</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss.forward"><code class="docutils literal notranslate"><span class="pre">L2MAELoss.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss.forward"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss"><code class="docutils literal notranslate"><span class="pre">L2MAELoss</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss.forward"><code class="docutils literal notranslate"><span class="pre">L2MAELoss.forward()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.DDPLoss"><code class="docutils literal notranslate"><span class="pre">DDPLoss</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.DDPLoss.forward"><code class="docutils literal notranslate"><span class="pre">DDPLoss.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss.forward"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss.forward()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.DDPLoss"><code class="docutils literal notranslate"><span class="pre">DDPLoss</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.DDPLoss.forward"><code class="docutils literal notranslate"><span class="pre">DDPLoss.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,12 +645,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.loss">
-<span id="core-modules-loss"></span><h1><a class="reference internal" href="#module-core.modules.loss" title="core.modules.loss"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a><a class="headerlink" href="#module-core.modules.loss" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-loss"></span><h1>core.modules.loss<a class="headerlink" href="#module-core.modules.loss" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.loss.L2MAELoss" title="core.modules.loss.L2MAELoss"><code class="xref py py-obj docutils literal notranslate"><span class="pre">L2MAELoss</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
@@ -659,6 +661,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.loss.L2MAELoss">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.loss.</span></span><span class="sig-name descname"><span class="pre">L2MAELoss</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">reduction</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'mean'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.loss.L2MAELoss" title="Link to this definition">#</a></dt>
@@ -785,7 +791,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -816,7 +821,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -825,7 +830,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></p>
+        <p class="prev-next-title">core.modules.exponential_moving_average</p>
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@@ -833,7 +838,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></p>
+        <p class="prev-next-title">core.modules.normalizer</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -853,20 +858,18 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
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     <ul class="visible nav section-nav flex-column">
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss"><code class="docutils literal notranslate"><span class="pre">L2MAELoss</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss.forward"><code class="docutils literal notranslate"><span class="pre">L2MAELoss.forward()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.AtomwiseL2Loss.forward"><code class="docutils literal notranslate"><span class="pre">AtomwiseL2Loss.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.loss.L2MAELoss"><code class="docutils literal notranslate"><span class="pre">L2MAELoss</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer"><code class="docutils literal notranslate"><span class="pre">Normalizer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.to"><code class="docutils literal notranslate"><span class="pre">Normalizer.to()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.norm"><code class="docutils literal notranslate"><span class="pre">Normalizer.norm()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.denorm"><code class="docutils literal notranslate"><span class="pre">Normalizer.denorm()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.state_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.load_state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.load_state_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer"><code class="docutils literal notranslate"><span class="pre">Normalizer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.to"><code class="docutils literal notranslate"><span class="pre">Normalizer.to()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.norm"><code class="docutils literal notranslate"><span class="pre">Normalizer.norm()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.denorm"><code class="docutils literal notranslate"><span class="pre">Normalizer.denorm()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.state_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.load_state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.load_state_dict()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,21 +641,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.normalizer">
-<span id="core-modules-normalizer"></span><h1><a class="reference internal" href="#module-core.modules.normalizer" title="core.modules.normalizer"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a><a class="headerlink" href="#module-core.modules.normalizer" title="Link to this heading">#</a></h1>
+<span id="core-modules-normalizer"></span><h1>core.modules.normalizer<a class="headerlink" href="#module-core.modules.normalizer" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.normalizer.Normalizer" title="core.modules.normalizer.Normalizer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Normalizer</span></code></a></p></td>
 <td><p>Normalize a Tensor and restore it later.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.normalizer.Normalizer">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.normalizer.</span></span><span class="sig-name descname"><span class="pre">Normalizer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">tensor</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.Tensor</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mean</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">std</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">device</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.normalizer.Normalizer" title="Link to this definition">#</a></dt>
@@ -683,7 +689,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
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 </section>
 </section>
 
@@ -714,7 +719,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -723,7 +728,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></p>
+        <p class="prev-next-title">core.modules.loss</p>
       </div>
     </a>
     <a class="right-next"
@@ -731,7 +736,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></p>
+        <p class="prev-next-title">core.modules.scheduler</p>
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@@ -751,16 +756,14 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer"><code class="docutils literal notranslate"><span class="pre">Normalizer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.to"><code class="docutils literal notranslate"><span class="pre">Normalizer.to()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.norm"><code class="docutils literal notranslate"><span class="pre">Normalizer.norm()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.denorm"><code class="docutils literal notranslate"><span class="pre">Normalizer.denorm()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.state_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.load_state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.load_state_dict()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer"><code class="docutils literal notranslate"><span class="pre">Normalizer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.to"><code class="docutils literal notranslate"><span class="pre">Normalizer.to()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.norm"><code class="docutils literal notranslate"><span class="pre">Normalizer.norm()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.denorm"><code class="docutils literal notranslate"><span class="pre">Normalizer.denorm()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.state_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.normalizer.Normalizer.load_state_dict"><code class="docutils literal notranslate"><span class="pre">Normalizer.load_state_dict()</span></code></a></li>
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index 9f3763ad6..850f07cca 100644
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.ScaleDict"><code class="docutils literal notranslate"><span class="pre">ScaleDict</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat._load_scale_dict"><code class="docutils literal notranslate"><span class="pre">_load_scale_dict()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.load_scales_compat"><code class="docutils literal notranslate"><span class="pre">load_scales_compat()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.ScaleDict"><code class="docutils literal notranslate"><span class="pre">ScaleDict</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat._load_scale_dict"><code class="docutils literal notranslate"><span class="pre">_load_scale_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.load_scales_compat"><code class="docutils literal notranslate"><span class="pre">load_scales_compat()</span></code></a></li>
 </ul>
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 </ul>
@@ -633,31 +637,34 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scaling.compat">
-<span id="core-modules-scaling-compat"></span><h1><a class="reference internal" href="#module-core.modules.scaling.compat" title="core.modules.scaling.compat"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.compat</span></code></a><a class="headerlink" href="#module-core.modules.scaling.compat" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="core-modules-scaling-compat"></span><h1>core.modules.scaling.compat<a class="headerlink" href="#module-core.modules.scaling.compat" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.compat._load_scale_dict" title="core.modules.scaling.compat._load_scale_dict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_load_scale_dict</span></code></a>(scale_file)</p></td>
-<td><p>Loads scale factors from either:</p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.modules.scaling.compat.load_scales_compat" title="core.modules.scaling.compat.load_scales_compat"><code class="xref py py-obj docutils literal notranslate"><span class="pre">load_scales_compat</span></code></a>(→ None)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.compat.ScaleDict" title="core.modules.scaling.compat.ScaleDict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ScaleDict</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
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-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.compat.ScaleDict" title="core.modules.scaling.compat.ScaleDict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ScaleDict</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.compat._load_scale_dict" title="core.modules.scaling.compat._load_scale_dict"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_load_scale_dict</span></code></a>(scale_file)</p></td>
+<td><p>Loads scale factors from either:</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.modules.scaling.compat.load_scales_compat" title="core.modules.scaling.compat.load_scales_compat"><code class="xref py py-obj docutils literal notranslate"><span class="pre">load_scales_compat</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.modules.scaling.compat.ScaleDict">
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@@ -677,7 +684,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.modules.scaling.compat.</span></span><span class="sig-name descname"><span class="pre">load_scales_compat</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">module</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.nn.Module</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scale_file</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">ScaleDict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.modules.scaling.compat.load_scales_compat" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
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@@ -708,7 +714,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
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@@ -717,7 +723,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></p>
+        <p class="prev-next-title">core.modules.scaling</p>
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@@ -725,7 +731,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.fit</p>
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@@ -745,14 +751,12 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.ScaleDict"><code class="docutils literal notranslate"><span class="pre">ScaleDict</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat._load_scale_dict"><code class="docutils literal notranslate"><span class="pre">_load_scale_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.compat.load_scales_compat"><code class="docutils literal notranslate"><span class="pre">load_scales_compat()</span></code></a></li>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,13 +617,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._prefilled_input"><code class="docutils literal notranslate"><span class="pre">_prefilled_input()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._train_batch"><code class="docutils literal notranslate"><span class="pre">_train_batch()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._prefilled_input"><code class="docutils literal notranslate"><span class="pre">_prefilled_input()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._train_batch"><code class="docutils literal notranslate"><span class="pre">_train_batch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -632,12 +636,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scaling.fit">
-<span id="core-modules-scaling-fit"></span><h1><a class="reference internal" href="#module-core.modules.scaling.fit" title="core.modules.scaling.fit"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></a><a class="headerlink" href="#module-core.modules.scaling.fit" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-scaling-fit"></span><h1>core.modules.scaling.fit<a class="headerlink" href="#module-core.modules.scaling.fit" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.fit._prefilled_input" title="core.modules.scaling.fit._prefilled_input"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_prefilled_input</span></code></a>(→ str)</p></td>
 <td><p></p></td>
@@ -650,6 +652,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.modules.scaling.fit._prefilled_input">
 <span class="sig-prename descclassname"><span class="pre">core.modules.scaling.fit.</span></span><span class="sig-name descname"><span class="pre">_prefilled_input</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">prompt</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">prefill</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">''</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="headerlink" href="#core.modules.scaling.fit._prefilled_input" title="Link to this definition">#</a></dt>
@@ -665,7 +671,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.modules.scaling.fit.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_batches</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">16</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.modules.scaling.fit.main" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -696,7 +701,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -705,7 +710,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.compat</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.compat</p>
       </div>
     </a>
     <a class="right-next"
@@ -713,7 +718,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.scale_factor</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -733,13 +738,11 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._prefilled_input"><code class="docutils literal notranslate"><span class="pre">_prefilled_input()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._train_batch"><code class="docutils literal notranslate"><span class="pre">_train_batch()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._prefilled_input"><code class="docutils literal notranslate"><span class="pre">_prefilled_input()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit._train_batch"><code class="docutils literal notranslate"><span class="pre">_train_batch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.fit.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
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@@ -790,8 +793,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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index cf212488b..657097965 100644
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+++ b/autoapi/core/modules/scaling/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,24 +618,22 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -646,29 +650,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scaling">
-<span id="core-modules-scaling"></span><h1><a class="reference internal" href="#module-core.modules.scaling" title="core.modules.scaling"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></a><a class="headerlink" href="#module-core.modules.scaling" title="Link to this heading">#</a></h1>
+<span id="core-modules-scaling"></span><h1>core.modules.scaling<a class="headerlink" href="#module-core.modules.scaling" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="compat/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.compat</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="fit/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="scale_factor/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="util/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="compat/index.html">core.modules.scaling.compat</a></li>
+<li class="toctree-l1"><a class="reference internal" href="fit/index.html">core.modules.scaling.fit</a></li>
+<li class="toctree-l1"><a class="reference internal" href="scale_factor/index.html">core.modules.scaling.scale_factor</a></li>
+<li class="toctree-l1"><a class="reference internal" href="util/index.html">core.modules.scaling.util</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.ScaleFactor" title="core.modules.scaling.ScaleFactor"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a></p></td>
 <td><p>Base class for all neural network modules.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.scaling.</span></span><span class="sig-name descname"><span class="pre">ScaleFactor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">enforce_consistency</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.scaling.ScaleFactor" title="Link to this definition">#</a></dt>
@@ -704,11 +710,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 evaluation mode.</p>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.fitted">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">fitted</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">bool</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.fitted" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py attribute">
 <dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.scale_factor">
 <span class="sig-name descname"><span class="pre">scale_factor</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">torch.Tensor</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.scale_factor" title="Link to this definition">#</a></dt>
@@ -716,17 +717,17 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 <dl class="py attribute">
 <dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.name">
-<span class="sig-name descname"><span class="pre">name</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.name" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">name</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.name" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py attribute">
 <dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.index_fn">
-<span class="sig-name descname"><span class="pre">index_fn</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">IndexFn</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.index_fn" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">index_fn</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">IndexFn</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.index_fn" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py attribute">
 <dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.stats">
-<span class="sig-name descname"><span class="pre">stats</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="scale_factor/index.html#core.modules.scaling.scale_factor._Stats" title="core.modules.scaling.scale_factor._Stats"><span class="pre">_Stats</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.stats" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">stats</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="scale_factor/index.html#core.modules.scaling.scale_factor._Stats" title="core.modules.scaling.scale_factor._Stats"><span class="pre">_Stats</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.stats" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py method">
@@ -734,6 +735,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">_enforce_consistency</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">state_dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">prefix</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_local_metadata</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_strict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_missing_keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_unexpected_keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_error_msgs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.modules.scaling.ScaleFactor._enforce_consistency" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.modules.scaling.ScaleFactor.fitted">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">fitted</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">bool</span></em><a class="headerlink" href="#core.modules.scaling.ScaleFactor.fitted" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,34 +617,32 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats"><code class="docutils literal notranslate"><span class="pre">_Stats</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_in"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_in</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_out"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_out</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.n_samples"><code class="docutils literal notranslate"><span class="pre">_Stats.n_samples</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.IndexFn"><code class="docutils literal notranslate"><span class="pre">IndexFn</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._check_consistency"><code class="docutils literal notranslate"><span class="pre">_check_consistency()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats"><code class="docutils literal notranslate"><span class="pre">_Stats</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_in"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_in</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_out"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_out</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.n_samples"><code class="docutils literal notranslate"><span class="pre">_Stats.n_samples</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.IndexFn"><code class="docutils literal notranslate"><span class="pre">IndexFn</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._check_consistency"><code class="docutils literal notranslate"><span class="pre">_check_consistency()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -655,12 +659,21 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scaling.scale_factor">
-<span id="core-modules-scaling-scale-factor"></span><h1><a class="reference internal" href="#module-core.modules.scaling.scale_factor" title="core.modules.scaling.scale_factor"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></a><a class="headerlink" href="#module-core.modules.scaling.scale_factor" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-scaling-scale-factor"></span><h1>core.modules.scaling.scale_factor<a class="headerlink" href="#module-core.modules.scaling.scale_factor" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.scale_factor.IndexFn" title="core.modules.scaling.scale_factor.IndexFn"><code class="xref py py-obj docutils literal notranslate"><span class="pre">IndexFn</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.scale_factor._Stats" title="core.modules.scaling.scale_factor._Stats"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_Stats</span></code></a></p></td>
 <td><p>dict() -&gt; new empty dictionary</p></td>
@@ -670,26 +683,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.scale_factor._check_consistency" title="core.modules.scaling.scale_factor._check_consistency"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_check_consistency</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.scale_factor.IndexFn" title="core.modules.scaling.scale_factor.IndexFn"><code class="xref py py-obj docutils literal notranslate"><span class="pre">IndexFn</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.scaling.scale_factor._Stats">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.scaling.scale_factor.</span></span><span class="sig-name descname"><span class="pre">_Stats</span></span><a class="headerlink" href="#core.modules.scaling.scale_factor._Stats" title="Link to this definition">#</a></dt>
@@ -771,11 +779,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 evaluation mode.</p>
 </dd>
 </dl>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.modules.scaling.scale_factor.ScaleFactor.fitted">
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-<dd></dd></dl>
-
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@@ -783,17 +786,17 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 
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-<span class="sig-name descname"><span class="pre">name</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.name" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">name</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.name" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
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 <dt class="sig sig-object py" id="core.modules.scaling.scale_factor.ScaleFactor.index_fn">
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+<span class="sig-name descname"><span class="pre">index_fn</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">IndexFn</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.index_fn" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
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-<span class="sig-name descname"><span class="pre">stats</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="#core.modules.scaling.scale_factor._Stats" title="core.modules.scaling.scale_factor._Stats"><span class="pre">_Stats</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.stats" title="Link to this definition">#</a></dt>
+<span class="sig-name descname"><span class="pre">stats</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="#core.modules.scaling.scale_factor._Stats" title="core.modules.scaling.scale_factor._Stats"><span class="pre">_Stats</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></em><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.stats" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py method">
@@ -801,6 +804,11 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-name descname"><span class="pre">_enforce_consistency</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">state_dict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">prefix</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_local_metadata</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_strict</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_missing_keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_unexpected_keys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">_error_msgs</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor._enforce_consistency" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.modules.scaling.scale_factor.ScaleFactor.fitted">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">fitted</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">bool</span></em><a class="headerlink" href="#core.modules.scaling.scale_factor.ScaleFactor.fitted" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
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@@ -869,7 +876,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -878,7 +885,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.fit</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.fit</p>
       </div>
     </a>
     <a class="right-next"
@@ -886,7 +893,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.util</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -906,34 +913,32 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats"><code class="docutils literal notranslate"><span class="pre">_Stats</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_in"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_in</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_out"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_out</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.n_samples"><code class="docutils literal notranslate"><span class="pre">_Stats.n_samples</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.IndexFn"><code class="docutils literal notranslate"><span class="pre">IndexFn</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._check_consistency"><code class="docutils literal notranslate"><span class="pre">_check_consistency()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats"><code class="docutils literal notranslate"><span class="pre">_Stats</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_in"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_in</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.variance_out"><code class="docutils literal notranslate"><span class="pre">_Stats.variance_out</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._Stats.n_samples"><code class="docutils literal notranslate"><span class="pre">_Stats.n_samples</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.IndexFn"><code class="docutils literal notranslate"><span class="pre">IndexFn</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor._check_consistency"><code class="docutils literal notranslate"><span class="pre">_check_consistency()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.scale_factor"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.scale_factor</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.name"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.name</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.index_fn"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.index_fn</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.stats"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.stats</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._enforce_consistency"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._enforce_consistency()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fitted"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fitted</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.reset_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.reset_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.set_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.set_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.initialize_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.initialize_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_context_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_context_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.fit_"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.fit_()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor._observe"><code class="docutils literal notranslate"><span class="pre">ScaleFactor._observe()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.scale_factor.ScaleFactor.forward"><code class="docutils literal notranslate"><span class="pre">ScaleFactor.forward()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -986,8 +991,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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diff --git a/autoapi/core/modules/scaling/util/index.html b/autoapi/core/modules/scaling/util/index.html
index 0e4768ca1..54246bac1 100644
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.util.ensure_fitted"><code class="docutils literal notranslate"><span class="pre">ensure_fitted()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.util.ensure_fitted"><code class="docutils literal notranslate"><span class="pre">ensure_fitted()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,24 +634,25 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scaling.util">
-<span id="core-modules-scaling-util"></span><h1><a class="reference internal" href="#module-core.modules.scaling.util" title="core.modules.scaling.util"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.util</span></code></a><a class="headerlink" href="#module-core.modules.scaling.util" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-scaling-util"></span><h1>core.modules.scaling.util<a class="headerlink" href="#module-core.modules.scaling.util" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.scaling.util.ensure_fitted" title="core.modules.scaling.util.ensure_fitted"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ensure_fitted</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.modules.scaling.util.ensure_fitted">
 <span class="sig-prename descclassname"><span class="pre">core.modules.scaling.util.</span></span><span class="sig-name descname"><span class="pre">ensure_fitted</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">module</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">torch.nn.Module</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">warn</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.modules.scaling.util.ensure_fitted" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -678,7 +683,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -687,7 +692,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling.scale_factor</span></code></p>
+        <p class="prev-next-title">core.modules.scaling.scale_factor</p>
       </div>
     </a>
     <a class="right-next"
@@ -695,7 +700,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></p>
+        <p class="prev-next-title">core.modules.evaluator</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -715,11 +720,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.util.ensure_fitted"><code class="docutils literal notranslate"><span class="pre">ensure_fitted()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scaling.util.ensure_fitted"><code class="docutils literal notranslate"><span class="pre">ensure_fitted()</span></code></a></li>
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 </li>
 </ul>
@@ -770,8 +773,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/modules/scheduler/index.html b/autoapi/core/modules/scheduler/index.html
index 606d1a53b..6d1f92bae 100644
--- a/autoapi/core/modules/scheduler/index.html
+++ b/autoapi/core/modules/scheduler/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,18 +639,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.scheduler">
-<span id="core-modules-scheduler"></span><h1><a class="reference internal" href="#module-core.modules.scheduler" title="core.modules.scheduler"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a><a class="headerlink" href="#module-core.modules.scheduler" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-scheduler"></span><h1>core.modules.scheduler<a class="headerlink" href="#module-core.modules.scheduler" title="Link to this heading">#</a></h1>
 <section id="classes">
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 <td><p>Learning rate scheduler class for torch.optim learning rate schedulers</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.scheduler.LRScheduler">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.scheduler.</span></span><span class="sig-name descname"><span class="pre">LRScheduler</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">config</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.scheduler.LRScheduler" title="Link to this definition">#</a></dt>
@@ -681,7 +687,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler"><code class="docutils literal notranslate"><span class="pre">LRScheduler</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.step"><code class="docutils literal notranslate"><span class="pre">LRScheduler.step()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.filter_kwargs"><code class="docutils literal notranslate"><span class="pre">LRScheduler.filter_kwargs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.scheduler.LRScheduler.get_lr"><code class="docutils literal notranslate"><span class="pre">LRScheduler.get_lr()</span></code></a></li>
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diff --git a/autoapi/core/modules/transforms/index.html b/autoapi/core/modules/transforms/index.html
index 5edde7db9..6a77fc042 100644
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@@ -72,27 +72,23 @@
 
   
   
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms"><code class="docutils literal notranslate"><span class="pre">DataTransforms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms.__call__"><code class="docutils literal notranslate"><span class="pre">DataTransforms.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.decompose_tensor"><code class="docutils literal notranslate"><span class="pre">decompose_tensor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms"><code class="docutils literal notranslate"><span class="pre">DataTransforms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms.__call__"><code class="docutils literal notranslate"><span class="pre">DataTransforms.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.decompose_tensor"><code class="docutils literal notranslate"><span class="pre">decompose_tensor()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,28 +639,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.modules.transforms">
-<span id="core-modules-transforms"></span><h1><a class="reference internal" href="#module-core.modules.transforms" title="core.modules.transforms"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a><a class="headerlink" href="#module-core.modules.transforms" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-modules-transforms"></span><h1>core.modules.transforms<a class="headerlink" href="#module-core.modules.transforms" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.transforms.DataTransforms" title="core.modules.transforms.DataTransforms"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DataTransforms</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.modules.transforms.decompose_tensor" title="core.modules.transforms.decompose_tensor"><code class="xref py py-obj docutils literal notranslate"><span class="pre">decompose_tensor</span></code></a>(→ torch_geometric.data.Data)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.modules.transforms.DataTransforms">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.modules.transforms.</span></span><span class="sig-name descname"><span class="pre">DataTransforms</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.modules.transforms.DataTransforms" title="Link to this definition">#</a></dt>
@@ -672,7 +679,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.modules.transforms.</span></span><span class="sig-name descname"><span class="pre">decompose_tensor</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">data_object</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">config</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">torch_geometric.data.Data</span></span></span><a class="headerlink" href="#core.modules.transforms.decompose_tensor" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -703,7 +709,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -712,7 +718,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></p>
+        <p class="prev-next-title">core.modules.scheduler</p>
       </div>
     </a>
     <a class="right-next"
@@ -720,7 +726,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></p>
+        <p class="prev-next-title">core.preprocessing</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -740,16 +746,14 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms"><code class="docutils literal notranslate"><span class="pre">DataTransforms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms.__call__"><code class="docutils literal notranslate"><span class="pre">DataTransforms.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.decompose_tensor"><code class="docutils literal notranslate"><span class="pre">decompose_tensor()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms"><code class="docutils literal notranslate"><span class="pre">DataTransforms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.DataTransforms.__call__"><code class="docutils literal notranslate"><span class="pre">DataTransforms.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.modules.transforms.decompose_tensor"><code class="docutils literal notranslate"><span class="pre">decompose_tensor()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -800,8 +804,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/preprocessing/atoms_to_graphs/index.html b/autoapi/core/preprocessing/atoms_to_graphs/index.html
index 9104b9881..7811fb106 100644
--- a/autoapi/core/preprocessing/atoms_to_graphs/index.html
+++ b/autoapi/core/preprocessing/atoms_to_graphs/index.html
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   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
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-<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,28 +617,26 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor"><code class="docutils literal notranslate"><span class="pre">AseAtomsAdaptor</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.shell"><code class="docutils literal notranslate"><span class="pre">shell</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor"><code class="docutils literal notranslate"><span class="pre">AseAtomsAdaptor</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.shell"><code class="docutils literal notranslate"><span class="pre">shell</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -649,25 +653,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.preprocessing.atoms_to_graphs">
-<span id="core-preprocessing-atoms-to-graphs"></span><h1><a class="reference internal" href="#module-core.preprocessing.atoms_to_graphs" title="core.preprocessing.atoms_to_graphs"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></a><a class="headerlink" href="#module-core.preprocessing.atoms_to_graphs" title="Link to this heading">#</a></h1>
+<span id="core-preprocessing-atoms-to-graphs"></span><h1>core.preprocessing.atoms_to_graphs<a class="headerlink" href="#module-core.preprocessing.atoms_to_graphs" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs" title="core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a></p></td>
-<td><p>A class to help convert periodic atomic structures to graphs.</p></td>
-</tr>
-</tbody>
-</table>
-</section>
 <section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor" title="core.preprocessing.atoms_to_graphs.AseAtomsAdaptor"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AseAtomsAdaptor</span></code></a></p></td>
 <td><p></p></td>
@@ -677,9 +669,24 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="classes">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs" title="core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a></p></td>
+<td><p>A class to help convert periodic atomic structures to graphs.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.preprocessing.atoms_to_graphs.AseAtomsAdaptor">
-<span class="sig-prename descclassname"><span class="pre">core.preprocessing.atoms_to_graphs.</span></span><span class="sig-name descname"><span class="pre">AseAtomsAdaptor</span></span><a class="headerlink" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor" title="Link to this definition">#</a></dt>
+<span class="sig-prename descclassname"><span class="pre">core.preprocessing.atoms_to_graphs.</span></span><span class="sig-name descname"><span class="pre">AseAtomsAdaptor</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">None</span></em><a class="headerlink" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
 <dl class="py data">
@@ -912,7 +919,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -943,7 +949,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -952,7 +958,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></p>
+        <p class="prev-next-title">core.preprocessing</p>
       </div>
     </a>
     <a class="right-next"
@@ -960,7 +966,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts</span></code></p>
+        <p class="prev-next-title">core.scripts</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -980,28 +986,26 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor"><code class="docutils literal notranslate"><span class="pre">AseAtomsAdaptor</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.shell"><code class="docutils literal notranslate"><span class="pre">shell</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AseAtomsAdaptor"><code class="docutils literal notranslate"><span class="pre">AseAtomsAdaptor</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.shell"><code class="docutils literal notranslate"><span class="pre">shell</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.atoms_to_graphs.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1054,8 +1058,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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index ef7a97825..9ae886686 100644
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@@ -72,27 +72,23 @@
 
   
   
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 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
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@@ -583,14 +589,14 @@
 
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 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
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@@ -612,25 +618,23 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -647,7 +651,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.preprocessing">
-<span id="core-preprocessing"></span><h1><a class="reference internal" href="#module-core.preprocessing" title="core.preprocessing"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><a class="headerlink" href="#module-core.preprocessing" title="Link to this heading">#</a></h1>
+<span id="core-preprocessing"></span><h1>core.preprocessing<a class="headerlink" href="#module-core.preprocessing" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -655,21 +659,23 @@ <h2> Contents </h2>
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="atoms_to_graphs/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.preprocessing.AtomsToGraphs" title="core.preprocessing.AtomsToGraphs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a></p></td>
 <td><p>A class to help convert periodic atomic structures to graphs.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.preprocessing.AtomsToGraphs">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.preprocessing.</span></span><span class="sig-name descname"><span class="pre">AtomsToGraphs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">max_neigh</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">200</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">radius</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">6</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_energy</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_forces</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_distances</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_edges</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_fixed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_pbc</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_stress</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">r_data_keys</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">collections.abc.Sequence</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.preprocessing.AtomsToGraphs" title="Link to this definition">#</a></dt>
@@ -895,7 +901,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -926,7 +931,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -935,7 +940,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></p>
+        <p class="prev-next-title">core.modules.transforms</p>
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@@ -943,7 +948,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></p>
+        <p class="prev-next-title">core.preprocessing.atoms_to_graphs</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -964,25 +969,23 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.max_neigh"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.max_neigh</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.radius"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.radius</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_energy"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_forces"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_stress"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_stress</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_distances"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_distances</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_edges"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_edges</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_fixed"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_fixed</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_pbc"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.r_data_keys"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.r_data_keys</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._get_neighbors_pymatgen"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._get_neighbors_pymatgen()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs._reshape_features"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs._reshape_features()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.preprocessing.AtomsToGraphs.convert_all"><code class="docutils literal notranslate"><span class="pre">AtomsToGraphs.convert_all()</span></code></a></li>
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-</li>
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+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,20 +617,18 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.S2EF_COUNTS"><code class="docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.uncompress_data"><code class="docutils literal notranslate"><span class="pre">uncompress_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.preprocess_data"><code class="docutils literal notranslate"><span class="pre">preprocess_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.verify_count"><code class="docutils literal notranslate"><span class="pre">verify_count()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.S2EF_COUNTS"><code class="docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.uncompress_data"><code class="docutils literal notranslate"><span class="pre">uncompress_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.preprocess_data"><code class="docutils literal notranslate"><span class="pre">preprocess_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.verify_count"><code class="docutils literal notranslate"><span class="pre">verify_count()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,49 +643,52 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.download_data">
-<span id="core-scripts-download-data"></span><h1><a class="reference internal" href="#module-core.scripts.download_data" title="core.scripts.download_data"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a><a class="headerlink" href="#module-core.scripts.download_data" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="core-scripts-download-data"></span><h1>core.scripts.download_data<a class="headerlink" href="#module-core.scripts.download_data" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.get_data" title="core.scripts.download_data.get_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_data</span></code></a>(→ None)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.uncompress_data" title="core.scripts.download_data.uncompress_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">uncompress_data</span></code></a>(→ str)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef" title="core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.preprocess_data" title="core.scripts.download_data.preprocess_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">preprocess_data</span></code></a>(→ None)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re" title="core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.verify_count" title="core.scripts.download_data.verify_count"><code class="xref py py-obj docutils literal notranslate"><span class="pre">verify_count</span></code></a>(→ None)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.S2EF_COUNTS" title="core.scripts.download_data.S2EF_COUNTS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.cleanup" title="core.scripts.download_data.cleanup"><code class="xref py py-obj docutils literal notranslate"><span class="pre">cleanup</span></code></a>(→ None)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.parser" title="core.scripts.download_data.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef" title="core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.get_data" title="core.scripts.download_data.get_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_data</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re" title="core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.uncompress_data" title="core.scripts.download_data.uncompress_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">uncompress_data</span></code></a>(→ str)</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.S2EF_COUNTS" title="core.scripts.download_data.S2EF_COUNTS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.preprocess_data" title="core.scripts.download_data.preprocess_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">preprocess_data</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.parser" title="core.scripts.download_data.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.download_data.verify_count" title="core.scripts.download_data.verify_count"><code class="xref py py-obj docutils literal notranslate"><span class="pre">verify_count</span></code></a>(→ None)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.download_data.cleanup" title="core.scripts.download_data.cleanup"><code class="xref py py-obj docutils literal notranslate"><span class="pre">cleanup</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.scripts.download_data.DOWNLOAD_LINKS_s2ef">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.download_data.</span></span><span class="sig-name descname"><span class="pre">DOWNLOAD_LINKS_s2ef</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><a class="headerlink" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef" title="Link to this definition">#</a></dt>
@@ -727,7 +734,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.download_data.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#core.scripts.download_data.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -758,7 +764,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -767,7 +773,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></p>
+        <p class="prev-next-title">core.scripts.hpo.run_tune_pbt</p>
       </div>
     </a>
     <a class="right-next"
@@ -775,7 +781,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></p>
+        <p class="prev-next-title">core.scripts.gif_maker_parallelized</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -795,20 +801,18 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.S2EF_COUNTS"><code class="docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.uncompress_data"><code class="docutils literal notranslate"><span class="pre">uncompress_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.preprocess_data"><code class="docutils literal notranslate"><span class="pre">preprocess_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.verify_count"><code class="docutils literal notranslate"><span class="pre">verify_count()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_s2ef"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_s2ef</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.DOWNLOAD_LINKS_is2re"><code class="docutils literal notranslate"><span class="pre">DOWNLOAD_LINKS_is2re</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.S2EF_COUNTS"><code class="docutils literal notranslate"><span class="pre">S2EF_COUNTS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.uncompress_data"><code class="docutils literal notranslate"><span class="pre">uncompress_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.preprocess_data"><code class="docutils literal notranslate"><span class="pre">preprocess_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.verify_count"><code class="docutils literal notranslate"><span class="pre">verify_count()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.cleanup"><code class="docutils literal notranslate"><span class="pre">cleanup()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.download_data.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
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@@ -859,8 +863,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
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-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/core/scripts/gif_maker_parallelized/index.html b/autoapi/core/scripts/gif_maker_parallelized/index.html
index 238ee9f90..cf62af352 100644
--- a/autoapi/core/scripts/gif_maker_parallelized/index.html
+++ b/autoapi/core/scripts/gif_maker_parallelized/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.pov_from_atoms"><code class="docutils literal notranslate"><span class="pre">pov_from_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parallelize_generation"><code class="docutils literal notranslate"><span class="pre">parallelize_generation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.pov_from_atoms"><code class="docutils literal notranslate"><span class="pre">pov_from_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parallelize_generation"><code class="docutils literal notranslate"><span class="pre">parallelize_generation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -634,7 +638,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.gif_maker_parallelized">
-<span id="core-scripts-gif-maker-parallelized"></span><h1><a class="reference internal" href="#module-core.scripts.gif_maker_parallelized" title="core.scripts.gif_maker_parallelized"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a><a class="headerlink" href="#module-core.scripts.gif_maker_parallelized" title="Link to this heading">#</a></h1>
+<span id="core-scripts-gif-maker-parallelized"></span><h1>core.scripts.gif_maker_parallelized<a class="headerlink" href="#module-core.scripts.gif_maker_parallelized" title="Link to this heading">#</a></h1>
 <p>Script to generate gifs from traj</p>
 <p>Note:
 This is just a quick way to generate gifs and visalizations from traj, there are many parameters and settings in the code that people can vary to make visualizations better. We have chosen these settings as this seem to work fine for most of our systems.</p>
@@ -642,11 +646,20 @@ <h2> Contents </h2>
 <p>povray
 ffmpeg
 ase==3.21</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.gif_maker_parallelized.parser" title="core.scripts.gif_maker_parallelized.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.gif_maker_parallelized.pov_from_atoms" title="core.scripts.gif_maker_parallelized.pov_from_atoms"><code class="xref py py-obj docutils literal notranslate"><span class="pre">pov_from_atoms</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -659,16 +672,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.gif_maker_parallelized.parser" title="core.scripts.gif_maker_parallelized.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.gif_maker_parallelized.pov_from_atoms">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.gif_maker_parallelized.</span></span><span class="sig-name descname"><span class="pre">pov_from_atoms</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_args</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.gif_maker_parallelized.pov_from_atoms" title="Link to this definition">#</a></dt>
@@ -689,7 +696,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.gif_maker_parallelized.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">argparse.ArgumentParser</span></em><a class="headerlink" href="#core.scripts.gif_maker_parallelized.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -720,7 +726,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -729,7 +735,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></p>
+        <p class="prev-next-title">core.scripts.download_data</p>
       </div>
     </a>
     <a class="right-next"
@@ -737,7 +743,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></p>
+        <p class="prev-next-title">core.scripts.make_challenge_submission_file</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -757,15 +763,13 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.pov_from_atoms"><code class="docutils literal notranslate"><span class="pre">pov_from_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parallelize_generation"><code class="docutils literal notranslate"><span class="pre">parallelize_generation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.pov_from_atoms"><code class="docutils literal notranslate"><span class="pre">pov_from_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parallelize_generation"><code class="docutils literal notranslate"><span class="pre">parallelize_generation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.gif_maker_parallelized.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -816,8 +820,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/hpo/index.html b/autoapi/core/scripts/hpo/index.html
index af0a316ab..7062e0497 100644
--- a/autoapi/core/scripts/hpo/index.html
+++ b/autoapi/core/scripts/hpo/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../common/utils/index.html">core.common.utils</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
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+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/evaluator/index.html">core.modules.evaluator</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/normalizer/index.html">core.modules.normalizer</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
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+<li class="toctree-l4 current active"><a class="current reference internal" href="#">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../_cli/index.html">core._cli</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -624,7 +630,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.hpo">
-<span id="core-scripts-hpo"></span><h1><a class="reference internal" href="#module-core.scripts.hpo" title="core.scripts.hpo"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></a><a class="headerlink" href="#module-core.scripts.hpo" title="Link to this heading">#</a></h1>
+<span id="core-scripts-hpo"></span><h1>core.scripts.hpo<a class="headerlink" href="#module-core.scripts.hpo" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Facebook, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -632,8 +638,8 @@ <h2> Contents </h2>
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="run_tune/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="run_tune_pbt/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="run_tune/index.html">core.scripts.hpo.run_tune</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
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+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,12 +635,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.hpo.run_tune">
-<span id="core-scripts-hpo-run-tune"></span><h1><a class="reference internal" href="#module-core.scripts.hpo.run_tune" title="core.scripts.hpo.run_tune"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune</span></code></a><a class="headerlink" href="#module-core.scripts.hpo.run_tune" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-scripts-hpo-run-tune"></span><h1>core.scripts.hpo.run_tune<a class="headerlink" href="#module-core.scripts.hpo.run_tune" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.hpo.run_tune.ocp_trainable" title="core.scripts.hpo.run_tune.ocp_trainable"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ocp_trainable</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -646,6 +648,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.hpo.run_tune.ocp_trainable">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.hpo.run_tune.</span></span><span class="sig-name descname"><span class="pre">ocp_trainable</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">checkpoint_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.hpo.run_tune.ocp_trainable" title="Link to this definition">#</a></dt>
@@ -656,7 +662,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.scripts.hpo.run_tune.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.hpo.run_tune.main" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -687,7 +692,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -696,7 +701,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></p>
+        <p class="prev-next-title">core.scripts.hpo</p>
       </div>
     </a>
     <a class="right-next"
@@ -704,7 +709,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></p>
+        <p class="prev-next-title">core.scripts.hpo.run_tune_pbt</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -724,12 +729,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -780,8 +783,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/hpo/run_tune_pbt/index.html b/autoapi/core/scripts/hpo/run_tune_pbt/index.html
index 4a7e17d88..b99a0083c 100644
--- a/autoapi/core/scripts/hpo/run_tune_pbt/index.html
+++ b/autoapi/core/scripts/hpo/run_tune_pbt/index.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-    <script src="../../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+</ul>
+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -631,12 +635,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.hpo.run_tune_pbt">
-<span id="core-scripts-hpo-run-tune-pbt"></span><h1><a class="reference internal" href="#module-core.scripts.hpo.run_tune_pbt" title="core.scripts.hpo.run_tune_pbt"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></a><a class="headerlink" href="#module-core.scripts.hpo.run_tune_pbt" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="core-scripts-hpo-run-tune-pbt"></span><h1>core.scripts.hpo.run_tune_pbt<a class="headerlink" href="#module-core.scripts.hpo.run_tune_pbt" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable" title="core.scripts.hpo.run_tune_pbt.ocp_trainable"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ocp_trainable</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -646,6 +648,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.hpo.run_tune_pbt.ocp_trainable">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.hpo.run_tune_pbt.</span></span><span class="sig-name descname"><span class="pre">ocp_trainable</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">config</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">checkpoint_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable" title="Link to this definition">#</a></dt>
@@ -656,7 +662,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">core.scripts.hpo.run_tune_pbt.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.hpo.run_tune_pbt.main" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -687,7 +692,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -696,7 +701,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune</span></code></p>
+        <p class="prev-next-title">core.scripts.hpo.run_tune</p>
       </div>
     </a>
     <a class="right-next"
@@ -704,7 +709,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></p>
+        <p class="prev-next-title">core.scripts.download_data</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -724,12 +729,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.ocp_trainable"><code class="docutils literal notranslate"><span class="pre">ocp_trainable()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.hpo.run_tune_pbt.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -780,8 +783,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/index.html b/autoapi/core/scripts/index.html
index 04760b5a7..4b3fdcfb3 100644
--- a/autoapi/core/scripts/index.html
+++ b/autoapi/core/scripts/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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     <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 has-children"><a class="reference internal" href="../common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../common/data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../common/distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../common/flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
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-</ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-7" name="toctree-checkbox-7" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-7"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../datasets/embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
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+</ul>
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+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -625,7 +631,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts">
-<span id="core-scripts"></span><h1><a class="reference internal" href="#module-core.scripts" title="core.scripts"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts</span></code></a><a class="headerlink" href="#module-core.scripts" title="Link to this heading">#</a></h1>
+<span id="core-scripts"></span><h1>core.scripts<a class="headerlink" href="#module-core.scripts" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Facebook, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -633,11 +639,7 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="hpo/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="hpo/run_tune/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="hpo/run_tune_pbt/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo.run_tune_pbt</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="hpo/index.html">core.scripts.hpo</a></li>
 </ul>
 </div>
 </section>
@@ -645,14 +647,14 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="download_data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="gif_maker_parallelized/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="make_challenge_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="make_lmdb_sizes/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="make_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="preprocess_ef/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="preprocess_relaxed/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="uncompress/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l1"><a class="reference internal" href="make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l1"><a class="reference internal" href="make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l1"><a class="reference internal" href="make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l1"><a class="reference internal" href="preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l1"><a class="reference internal" href="preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l1"><a class="reference internal" href="uncompress/index.html">core.scripts.uncompress</a></li>
 </ul>
 </div>
 </section>
@@ -685,7 +687,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -694,7 +696,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></p>
+        <p class="prev-next-title">core.preprocessing.atoms_to_graphs</p>
       </div>
     </a>
     <a class="right-next"
@@ -702,7 +704,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></p>
+        <p class="prev-next-title">core.scripts.hpo</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -772,8 +774,8 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/make_challenge_submission_file/index.html b/autoapi/core/scripts/make_challenge_submission_file/index.html
index 5923f3938..755019c35 100644
--- a/autoapi/core/scripts/make_challenge_submission_file/index.html
+++ b/autoapi/core/scripts/make_challenge_submission_file/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
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+<li class="toctree-l4 current active"><a class="current reference internal" href="#">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_submission_file/index.html">core.scripts.make_submission_file</a></li>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -634,17 +638,26 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.make_challenge_submission_file">
-<span id="core-scripts-make-challenge-submission-file"></span><h1><a class="reference internal" href="#module-core.scripts.make_challenge_submission_file" title="core.scripts.make_challenge_submission_file"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a><a class="headerlink" href="#module-core.scripts.make_challenge_submission_file" title="Link to this heading">#</a></h1>
+<span id="core-scripts-make-challenge-submission-file"></span><h1>core.scripts.make_challenge_submission_file<a class="headerlink" href="#module-core.scripts.make_challenge_submission_file" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Facebook, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
 <p>ONLY for use in the NeurIPS 2021 Open Catalyst Challenge. For all other submissions
 please use make_submission_file.py.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_challenge_submission_file.parser" title="core.scripts.make_challenge_submission_file.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations" title="core.scripts.make_challenge_submission_file.write_is2re_relaxations"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_is2re_relaxations</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -657,16 +670,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_challenge_submission_file.parser" title="core.scripts.make_challenge_submission_file.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.make_challenge_submission_file.write_is2re_relaxations">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_challenge_submission_file.</span></span><span class="sig-name descname"><span class="pre">write_is2re_relaxations</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">filename</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">hybrid</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations" title="Link to this definition">#</a></dt>
@@ -687,7 +694,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_challenge_submission_file.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#core.scripts.make_challenge_submission_file.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -718,7 +724,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -727,7 +733,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></p>
+        <p class="prev-next-title">core.scripts.gif_maker_parallelized</p>
       </div>
     </a>
     <a class="right-next"
@@ -735,7 +741,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></p>
+        <p class="prev-next-title">core.scripts.make_lmdb_sizes</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -755,15 +761,13 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_challenge_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -814,8 +818,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/make_lmdb_sizes/index.html b/autoapi/core/scripts/make_lmdb_sizes/index.html
index 0f92ea5e7..6d7ec7262 100644
--- a/autoapi/core/scripts/make_lmdb_sizes/index.html
+++ b/autoapi/core/scripts/make_lmdb_sizes/index.html
@@ -14,46 +14,46 @@
   
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     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">core.scripts</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,33 +637,36 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.make_lmdb_sizes">
-<span id="core-scripts-make-lmdb-sizes"></span><h1><a class="reference internal" href="#module-core.scripts.make_lmdb_sizes" title="core.scripts.make_lmdb_sizes"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a><a class="headerlink" href="#module-core.scripts.make_lmdb_sizes" title="Link to this heading">#</a></h1>
+<span id="core-scripts-make-lmdb-sizes"></span><h1>core.scripts.make_lmdb_sizes<a class="headerlink" href="#module-core.scripts.make_lmdb_sizes" title="Link to this heading">#</a></h1>
 <p>This script provides the functionality to generate metadata.npz files necessary
 for load_balancing the DataLoader.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.get_data" title="core.scripts.make_lmdb_sizes.get_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_data</span></code></a>(index)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.main" title="core.scripts.make_lmdb_sizes.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.parser" title="core.scripts.make_lmdb_sizes.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.parser" title="core.scripts.make_lmdb_sizes.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.get_data" title="core.scripts.make_lmdb_sizes.get_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_data</span></code></a>(index)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_lmdb_sizes.main" title="core.scripts.make_lmdb_sizes.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.make_lmdb_sizes.get_data">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_lmdb_sizes.</span></span><span class="sig-name descname"><span class="pre">get_data</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">index</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.scripts.make_lmdb_sizes.get_data" title="Link to this definition">#</a></dt>
@@ -675,7 +682,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_lmdb_sizes.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#core.scripts.make_lmdb_sizes.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -706,7 +712,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -715,7 +721,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></p>
+        <p class="prev-next-title">core.scripts.make_challenge_submission_file</p>
       </div>
     </a>
     <a class="right-next"
@@ -723,7 +729,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></p>
+        <p class="prev-next-title">core.scripts.make_submission_file</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -743,14 +749,12 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_lmdb_sizes.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -801,8 +805,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
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 </form></div>
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@@ -139,6 +140,8 @@
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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-</li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.SPLITS"><code class="docutils literal notranslate"><span class="pre">SPLITS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.SPLITS"><code class="docutils literal notranslate"><span class="pre">SPLITS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,40 +639,43 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.make_submission_file">
-<span id="core-scripts-make-submission-file"></span><h1><a class="reference internal" href="#module-core.scripts.make_submission_file" title="core.scripts.make_submission_file"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></a><a class="headerlink" href="#module-core.scripts.make_submission_file" title="Link to this heading">#</a></h1>
+<span id="core-scripts-make-submission-file"></span><h1>core.scripts.make_submission_file<a class="headerlink" href="#module-core.scripts.make_submission_file" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Facebook, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.write_is2re_relaxations" title="core.scripts.make_submission_file.write_is2re_relaxations"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_is2re_relaxations</span></code></a>(→ None)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.write_predictions" title="core.scripts.make_submission_file.write_predictions"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_predictions</span></code></a>(→ None)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.SPLITS" title="core.scripts.make_submission_file.SPLITS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SPLITS</span></code></a></p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.main" title="core.scripts.make_submission_file.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.parser" title="core.scripts.make_submission_file.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.SPLITS" title="core.scripts.make_submission_file.SPLITS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">SPLITS</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.write_is2re_relaxations" title="core.scripts.make_submission_file.write_is2re_relaxations"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_is2re_relaxations</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.parser" title="core.scripts.make_submission_file.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.write_predictions" title="core.scripts.make_submission_file.write_predictions"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_predictions</span></code></a>(→ None)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.make_submission_file.main" title="core.scripts.make_submission_file.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="core.scripts.make_submission_file.SPLITS">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_submission_file.</span></span><span class="sig-name descname"><span class="pre">SPLITS</span></span><a class="headerlink" href="#core.scripts.make_submission_file.SPLITS" title="Link to this definition">#</a></dt>
@@ -694,7 +701,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.make_submission_file.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#core.scripts.make_submission_file.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -725,7 +731,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -734,7 +740,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></p>
+        <p class="prev-next-title">core.scripts.make_lmdb_sizes</p>
       </div>
     </a>
     <a class="right-next"
@@ -742,7 +748,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></p>
+        <p class="prev-next-title">core.scripts.preprocess_ef</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -762,16 +768,14 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.SPLITS"><code class="docutils literal notranslate"><span class="pre">SPLITS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.SPLITS"><code class="docutils literal notranslate"><span class="pre">SPLITS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_is2re_relaxations"><code class="docutils literal notranslate"><span class="pre">write_is2re_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.write_predictions"><code class="docutils literal notranslate"><span class="pre">write_predictions()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.make_submission_file.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -822,8 +826,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/preprocess_ef/index.html b/autoapi/core/scripts/preprocess_ef/index.html
index 3a90c9b2e..1870a0539 100644
--- a/autoapi/core/scripts/preprocess_ef/index.html
+++ b/autoapi/core/scripts/preprocess_ef/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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-          name="__primary"
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
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@@ -154,7 +157,7 @@
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,15 +617,13 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -634,14 +638,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.preprocess_ef">
-<span id="core-scripts-preprocess-ef"></span><h1><a class="reference internal" href="#module-core.scripts.preprocess_ef" title="core.scripts.preprocess_ef"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a><a class="headerlink" href="#module-core.scripts.preprocess_ef" title="Link to this heading">#</a></h1>
+<span id="core-scripts-preprocess-ef"></span><h1>core.scripts.preprocess_ef<a class="headerlink" href="#module-core.scripts.preprocess_ef" title="Link to this heading">#</a></h1>
 <p>Creates LMDB files with extracted graph features from provided <a href="#id1"><span class="problematic" id="id2">*</span></a>.extxyz files
 for the S2EF task.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_ef.parser" title="core.scripts.preprocess_ef.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_ef.write_images_to_lmdb" title="core.scripts.preprocess_ef.write_images_to_lmdb"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_images_to_lmdb</span></code></a>(mp_arg)</p></td>
 <td><p></p></td>
@@ -654,16 +667,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_ef.parser" title="core.scripts.preprocess_ef.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.preprocess_ef.write_images_to_lmdb">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.preprocess_ef.</span></span><span class="sig-name descname"><span class="pre">write_images_to_lmdb</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_arg</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.scripts.preprocess_ef.write_images_to_lmdb" title="Link to this definition">#</a></dt>
@@ -684,7 +691,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.preprocess_ef.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">argparse.ArgumentParser</span></em><a class="headerlink" href="#core.scripts.preprocess_ef.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -715,7 +721,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -724,7 +730,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></p>
+        <p class="prev-next-title">core.scripts.make_submission_file</p>
       </div>
     </a>
     <a class="right-next"
@@ -732,7 +738,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></p>
+        <p class="prev-next-title">core.scripts.preprocess_relaxed</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -752,15 +758,13 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_ef.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -811,8 +815,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/preprocess_relaxed/index.html b/autoapi/core/scripts/preprocess_relaxed/index.html
index 83e2a7381..e1533f050 100644
--- a/autoapi/core/scripts/preprocess_relaxed/index.html
+++ b/autoapi/core/scripts/preprocess_relaxed/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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+<li class="toctree-l4"><a class="reference internal" href="../../datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../models/index.html">core.models</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/escn/index.html">core.models.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">core.scripts</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,33 +637,36 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.preprocess_relaxed">
-<span id="core-scripts-preprocess-relaxed"></span><h1><a class="reference internal" href="#module-core.scripts.preprocess_relaxed" title="core.scripts.preprocess_relaxed"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></a><a class="headerlink" href="#module-core.scripts.preprocess_relaxed" title="Link to this heading">#</a></h1>
+<span id="core-scripts-preprocess-relaxed"></span><h1>core.scripts.preprocess_relaxed<a class="headerlink" href="#module-core.scripts.preprocess_relaxed" title="Link to this heading">#</a></h1>
 <p>Creates LMDB files with extracted graph features from provided <a href="#id1"><span class="problematic" id="id2">*</span></a>.extxyz files
 for the S2EF task.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb" title="core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_images_to_lmdb</span></code></a>(→ None)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.main" title="core.scripts.preprocess_relaxed.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.parser" title="core.scripts.preprocess_relaxed.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.parser" title="core.scripts.preprocess_relaxed.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb" title="core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_images_to_lmdb</span></code></a>(→ None)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#core.scripts.preprocess_relaxed.main" title="core.scripts.preprocess_relaxed.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>(→ None)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.preprocess_relaxed.write_images_to_lmdb">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.preprocess_relaxed.</span></span><span class="sig-name descname"><span class="pre">write_images_to_lmdb</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">mp_arg</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb" title="Link to this definition">#</a></dt>
@@ -675,7 +682,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.preprocess_relaxed.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><a class="headerlink" href="#core.scripts.preprocess_relaxed.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -706,7 +712,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -715,7 +721,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></p>
+        <p class="prev-next-title">core.scripts.preprocess_ef</p>
       </div>
     </a>
     <a class="right-next"
@@ -723,7 +729,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></p>
+        <p class="prev-next-title">core.scripts.uncompress</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -743,14 +749,12 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.write_images_to_lmdb"><code class="docutils literal notranslate"><span class="pre">write_images_to_lmdb()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.preprocess_relaxed.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -801,8 +805,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/scripts/uncompress/index.html b/autoapi/core/scripts/uncompress/index.html
index 8327ab61b..225df71fa 100644
--- a/autoapi/core/scripts/uncompress/index.html
+++ b/autoapi/core/scripts/uncompress/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,16 +617,14 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.read_lzma"><code class="docutils literal notranslate"><span class="pre">read_lzma()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.decompress_list_of_files"><code class="docutils literal notranslate"><span class="pre">decompress_list_of_files()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.read_lzma"><code class="docutils literal notranslate"><span class="pre">read_lzma()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.decompress_list_of_files"><code class="docutils literal notranslate"><span class="pre">decompress_list_of_files()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,14 +639,23 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.scripts.uncompress">
-<span id="core-scripts-uncompress"></span><h1><a class="reference internal" href="#module-core.scripts.uncompress" title="core.scripts.uncompress"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></a><a class="headerlink" href="#module-core.scripts.uncompress" title="Link to this heading">#</a></h1>
+<span id="core-scripts-uncompress"></span><h1>core.scripts.uncompress<a class="headerlink" href="#module-core.scripts.uncompress" title="Link to this heading">#</a></h1>
 <p>Uncompresses downloaded S2EF datasets to be used by the LMDB preprocessing
 script - preprocess_ef.py</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.uncompress.parser" title="core.scripts.uncompress.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.uncompress.read_lzma" title="core.scripts.uncompress.read_lzma"><code class="xref py py-obj docutils literal notranslate"><span class="pre">read_lzma</span></code></a>(→ None)</p></td>
 <td><p></p></td>
@@ -658,16 +671,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#core.scripts.uncompress.parser" title="core.scripts.uncompress.parser"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parser</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="core.scripts.uncompress.read_lzma">
 <span class="sig-prename descclassname"><span class="pre">core.scripts.uncompress.</span></span><span class="sig-name descname"><span class="pre">read_lzma</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">inpfile</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outfile</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.scripts.uncompress.read_lzma" title="Link to this definition">#</a></dt>
@@ -693,7 +700,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">core.scripts.uncompress.</span></span><span class="sig-name descname"><span class="pre">parser</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">argparse.ArgumentParser</span></em><a class="headerlink" href="#core.scripts.uncompress.parser" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -724,7 +730,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -733,7 +739,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></p>
+        <p class="prev-next-title">core.scripts.preprocess_relaxed</p>
       </div>
     </a>
     <a class="right-next"
@@ -741,7 +747,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></p>
+        <p class="prev-next-title">core.tasks</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -761,16 +767,14 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.read_lzma"><code class="docutils literal notranslate"><span class="pre">read_lzma()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.decompress_list_of_files"><code class="docutils literal notranslate"><span class="pre">decompress_list_of_files()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.read_lzma"><code class="docutils literal notranslate"><span class="pre">read_lzma()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.decompress_list_of_files"><code class="docutils literal notranslate"><span class="pre">decompress_list_of_files()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.get_parser"><code class="docutils literal notranslate"><span class="pre">get_parser()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.scripts.uncompress.parser"><code class="docutils literal notranslate"><span class="pre">parser</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -821,8 +825,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/core/tasks/index.html b/autoapi/core/tasks/index.html
index b664c0203..fa893ec32 100644
--- a/autoapi/core/tasks/index.html
+++ b/autoapi/core/tasks/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../_static/documentation_options.js?v=9eb32ce0"></script>
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-    <script src="../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+</ul>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,25 +618,23 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
 </ul>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask"><code class="docutils literal notranslate"><span class="pre">RelaxationTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask.run"><code class="docutils literal notranslate"><span class="pre">TrainTask.run()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
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                 <article class="bd-article">
                   
   <section id="module-core.tasks">
-<span id="core-tasks"></span><h1><a class="reference internal" href="#module-core.tasks" title="core.tasks"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></a><a class="headerlink" href="#module-core.tasks" title="Link to this heading">#</a></h1>
+<span id="core-tasks"></span><h1>core.tasks<a class="headerlink" href="#module-core.tasks" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="task/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="task/index.html">core.tasks.task</a></li>
 </ul>
 </div>
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 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
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 <tr class="row-odd"><td><p><a class="reference internal" href="#core.tasks.PredictTask" title="core.tasks.PredictTask"><code class="xref py py-obj docutils literal notranslate"><span class="pre">PredictTask</span></code></a></p></td>
 <td><p></p></td>
@@ -676,6 +678,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></p>
+        <p class="prev-next-title">core.scripts.uncompress</p>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></p>
+        <p class="prev-next-title">core.tasks.task</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask"><code class="docutils literal notranslate"><span class="pre">RelaxationTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask.run"><code class="docutils literal notranslate"><span class="pre">TrainTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask"><code class="docutils literal notranslate"><span class="pre">RelaxationTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.TrainTask.run"><code class="docutils literal notranslate"><span class="pre">TrainTask.run()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
 </ul>
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
+  
 
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,30 +617,28 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask"><code class="docutils literal notranslate"><span class="pre">BaseTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask.setup"><code class="docutils literal notranslate"><span class="pre">BaseTask.setup()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask.run"><code class="docutils literal notranslate"><span class="pre">BaseTask.run()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask.run"><code class="docutils literal notranslate"><span class="pre">TrainTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask"><code class="docutils literal notranslate"><span class="pre">BaseTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask.setup"><code class="docutils literal notranslate"><span class="pre">BaseTask.setup()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask.run"><code class="docutils literal notranslate"><span class="pre">BaseTask.run()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask"><code class="docutils literal notranslate"><span class="pre">TrainTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask.run"><code class="docutils literal notranslate"><span class="pre">TrainTask.run()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.PredictTask"><code class="docutils literal notranslate"><span class="pre">PredictTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.RelaxationTask"><code class="docutils literal notranslate"><span class="pre">RelaxationTask</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.ValidateTask"><code class="docutils literal notranslate"><span class="pre">ValidateTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.RelaxationTask"><code class="docutils literal notranslate"><span class="pre">RelaxationTask</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -651,15 +655,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.tasks.task">
-<span id="core-tasks-task"></span><h1><a class="reference internal" href="#module-core.tasks.task" title="core.tasks.task"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></a><a class="headerlink" href="#module-core.tasks.task" title="Link to this heading">#</a></h1>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask"><code class="docutils literal notranslate"><span class="pre">BaseTask</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.BaseTask.setup"><code class="docutils literal notranslate"><span class="pre">BaseTask.setup()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.TrainTask._process_error"><code class="docutils literal notranslate"><span class="pre">TrainTask._process_error()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.PredictTask.run"><code class="docutils literal notranslate"><span class="pre">PredictTask.run()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.ValidateTask.run"><code class="docutils literal notranslate"><span class="pre">ValidateTask.run()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.tasks.task.RelaxationTask.run"><code class="docutils literal notranslate"><span class="pre">RelaxationTask.run()</span></code></a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,32 +617,30 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -653,32 +657,29 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.trainers.base_trainer">
-<span id="core-trainers-base-trainer"></span><h1><a class="reference internal" href="#module-core.trainers.base_trainer" title="core.trainers.base_trainer"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></a><a class="headerlink" href="#module-core.trainers.base_trainer" title="Link to this heading">#</a></h1>
+<span id="core-trainers-base-trainer"></span><h1>core.trainers.base_trainer<a class="headerlink" href="#module-core.trainers.base_trainer" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.trainers.base_trainer.BaseTrainer" title="core.trainers.base_trainer.BaseTrainer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a></p></td>
 <td><p>Helper class that provides a standard way to create an ABC using</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.trainers.base_trainer.BaseTrainer">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.base_trainer.</span></span><span class="sig-name descname"><span class="pre">BaseTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_fns</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eval_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'ocp'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.base_trainer.</span></span><span class="sig-name descname"><span class="pre">BaseTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'ocp'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">abc.ABC</span></code></p>
 <p>Helper class that provides a standard way to create an ABC using
 inheritance.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.trainers.base_trainer.BaseTrainer._unwrapped_model">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_unwrapped_model</span></span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.trainers.base_trainer.BaseTrainer.train">
 <em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">train</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">disable_eval_tqdm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer.train" title="Link to this definition">#</a></dt>
@@ -735,6 +736,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">load_model</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer.load_model" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.trainers.base_trainer.BaseTrainer._unwrapped_model">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_unwrapped_model</span></span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.trainers.base_trainer.BaseTrainer.load_checkpoint">
 <span class="sig-name descname"><span class="pre">load_checkpoint</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">checkpoint_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">checkpoint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.base_trainer.BaseTrainer.load_checkpoint" title="Link to this definition">#</a></dt>
@@ -782,7 +788,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -813,7 +818,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -822,7 +827,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></p>
+        <p class="prev-next-title">core.trainers</p>
       </div>
     </a>
     <a class="right-next"
@@ -830,7 +835,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></p>
+        <p class="prev-next-title">core.trainers.ocp_trainer</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -850,32 +855,30 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.base_trainer.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -928,8 +931,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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diff --git a/autoapi/core/trainers/index.html b/autoapi/core/trainers/index.html
index 96a52ecc1..2770099ba 100644
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+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
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-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
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+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,41 +618,39 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -663,21 +667,19 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.trainers">
-<span id="core-trainers"></span><h1><a class="reference internal" href="#module-core.trainers" title="core.trainers"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><a class="headerlink" href="#module-core.trainers" title="Link to this heading">#</a></h1>
+<span id="core-trainers"></span><h1>core.trainers<a class="headerlink" href="#module-core.trainers" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="base_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="ocp_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l1"><a class="reference internal" href="ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.trainers.BaseTrainer" title="core.trainers.BaseTrainer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a></p></td>
 <td><p>Helper class that provides a standard way to create an ABC using</p></td>
@@ -687,17 +689,16 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.trainers.BaseTrainer">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.</span></span><span class="sig-name descname"><span class="pre">BaseTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_fns</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eval_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'ocp'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.BaseTrainer" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.</span></span><span class="sig-name descname"><span class="pre">BaseTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'ocp'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.BaseTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">abc.ABC</span></code></p>
 <p>Helper class that provides a standard way to create an ABC using
 inheritance.</p>
-<dl class="py property">
-<dt class="sig sig-object py" id="core.trainers.BaseTrainer._unwrapped_model">
-<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_unwrapped_model</span></span><a class="headerlink" href="#core.trainers.BaseTrainer._unwrapped_model" title="Link to this definition">#</a></dt>
-<dd></dd></dl>
-
 <dl class="py method">
 <dt class="sig sig-object py" id="core.trainers.BaseTrainer.train">
 <em class="property"><span class="pre">abstract</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">train</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">disable_eval_tqdm</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.BaseTrainer.train" title="Link to this definition">#</a></dt>
@@ -754,6 +755,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <span class="sig-name descname"><span class="pre">load_model</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.BaseTrainer.load_model" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py property">
+<dt class="sig sig-object py" id="core.trainers.BaseTrainer._unwrapped_model">
+<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">_unwrapped_model</span></span><a class="headerlink" href="#core.trainers.BaseTrainer._unwrapped_model" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
 <dl class="py method">
 <dt class="sig sig-object py" id="core.trainers.BaseTrainer.load_checkpoint">
 <span class="sig-name descname"><span class="pre">load_checkpoint</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">checkpoint_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">checkpoint</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">dict</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">None</span></span></span><a class="headerlink" href="#core.trainers.BaseTrainer.load_checkpoint" title="Link to this definition">#</a></dt>
@@ -803,7 +809,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 <dl class="py class">
 <dt class="sig sig-object py" id="core.trainers.OCPTrainer">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.</span></span><span class="sig-name descname"><span class="pre">OCPTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_fns</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eval_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.OCPTrainer" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.</span></span><span class="sig-name descname"><span class="pre">OCPTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.OCPTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">fairchem.core.trainers.base_trainer.BaseTrainer</span></code></p>
 <p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to
 Relaxed State (IS2RS) tasks.</p>
@@ -821,8 +827,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <li><p><strong>outputs</strong> (<em>dict</em>) – Output property configuration.</p></li>
 <li><p><strong>dataset</strong> (<em>dict</em>) – Dataset configuration. The dataset needs to be a SinglePointLMDB dataset.</p></li>
 <li><p><strong>optimizer</strong> (<em>dict</em>) – Optimizer configuration.</p></li>
-<li><p><strong>loss_fns</strong> (<em>dict</em>) – Loss function configuration.</p></li>
-<li><p><strong>eval_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
+<li><p><strong>loss_functions</strong> (<em>dict</em>) – Loss function configuration.</p></li>
+<li><p><strong>evaluation_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
 <li><p><strong>identifier</strong> (<em>str</em>) – Experiment identifier that is appended to log directory.</p></li>
 <li><p><strong>run_dir</strong> (<em>str</em><em>, </em><em>optional</em>) – Path to the run directory where logs are to be saved.
 (default: <code class="xref py py-obj docutils literal notranslate"><span class="pre">None</span></code>)</p></li>
@@ -877,7 +883,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -908,7 +913,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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     <a class="left-prev"
@@ -917,7 +922,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></p>
+        <p class="prev-next-title">core.tasks.task</p>
       </div>
     </a>
     <a class="right-next"
@@ -925,7 +930,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></p>
+        <p class="prev-next-title">core.trainers.base_trainer</p>
       </div>
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@@ -946,41 +951,39 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.train"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._get_timestamp"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._get_timestamp()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.set_seed"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.set_seed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_seed_from_config"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_seed_from_config()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_logger"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_logger()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_sampler"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_sampler()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.get_dataloader"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.get_dataloader()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_datasets"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_datasets()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_task"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_task()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_model()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._unwrapped_model"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._unwrapped_model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_checkpoint"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_checkpoint()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_loss"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_optimizer"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_optimizer()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.load_extras"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.load_extras()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.update_best"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.update_best()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.validate"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.validate()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer._backward"><code class="docutils literal notranslate"><span class="pre">BaseTrainer._backward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.BaseTrainer.save_results"><code class="docutils literal notranslate"><span class="pre">BaseTrainer.save_results()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1033,8 +1036,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   
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+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
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diff --git a/autoapi/core/trainers/ocp_trainer/index.html b/autoapi/core/trainers/ocp_trainer/index.html
index 7aa48c5a5..f36ec6b1a 100644
--- a/autoapi/core/trainers/ocp_trainer/index.html
+++ b/autoapi/core/trainers/ocp_trainer/index.html
@@ -14,46 +14,46 @@
   
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@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -638,24 +642,26 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-core.trainers.ocp_trainer">
-<span id="core-trainers-ocp-trainer"></span><h1><a class="reference internal" href="#module-core.trainers.ocp_trainer" title="core.trainers.ocp_trainer"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a><a class="headerlink" href="#module-core.trainers.ocp_trainer" title="Link to this heading">#</a></h1>
+<span id="core-trainers-ocp-trainer"></span><h1>core.trainers.ocp_trainer<a class="headerlink" href="#module-core.trainers.ocp_trainer" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#core.trainers.ocp_trainer.OCPTrainer" title="core.trainers.ocp_trainer.OCPTrainer"><code class="xref py py-obj docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a></p></td>
 <td><p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="core.trainers.ocp_trainer.OCPTrainer">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.ocp_trainer.</span></span><span class="sig-name descname"><span class="pre">OCPTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_fns</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">eval_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.ocp_trainer.OCPTrainer" title="Link to this definition">#</a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">core.trainers.ocp_trainer.</span></span><span class="sig-name descname"><span class="pre">OCPTrainer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">task</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">model</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputs</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dataset</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">optimizer</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">loss_functions</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">evaluation_metrics</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">identifier</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestamp_id</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">run_dir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">is_debug</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">print_every</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">seed</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">logger</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'wandb'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_rank</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">amp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cpu</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slurm</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">noddp</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'ocp'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#core.trainers.ocp_trainer.OCPTrainer" title="Link to this definition">#</a></dt>
 <dd><p>Bases: <code class="xref py py-obj docutils literal notranslate"><span class="pre">fairchem.core.trainers.base_trainer.BaseTrainer</span></code></p>
 <p>Trainer class for the Structure to Energy &amp; Force (S2EF) and Initial State to
 Relaxed State (IS2RS) tasks.</p>
@@ -673,8 +679,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 <li><p><strong>outputs</strong> (<em>dict</em>) – Output property configuration.</p></li>
 <li><p><strong>dataset</strong> (<em>dict</em>) – Dataset configuration. The dataset needs to be a SinglePointLMDB dataset.</p></li>
 <li><p><strong>optimizer</strong> (<em>dict</em>) – Optimizer configuration.</p></li>
-<li><p><strong>loss_fns</strong> (<em>dict</em>) – Loss function configuration.</p></li>
-<li><p><strong>eval_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
+<li><p><strong>loss_functions</strong> (<em>dict</em>) – Loss function configuration.</p></li>
+<li><p><strong>evaluation_metrics</strong> (<em>dict</em>) – Evaluation metrics configuration.</p></li>
 <li><p><strong>identifier</strong> (<em>str</em>) – Experiment identifier that is appended to log directory.</p></li>
 <li><p><strong>run_dir</strong> (<em>str</em><em>, </em><em>optional</em>) – Path to the run directory where logs are to be saved.
 (default: <code class="xref py py-obj docutils literal notranslate"><span class="pre">None</span></code>)</p></li>
@@ -729,7 +735,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -760,7 +765,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -769,7 +774,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></p>
+        <p class="prev-next-title">core.trainers.base_trainer</p>
       </div>
     </a>
     <a class="right-next"
@@ -777,7 +782,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></p>
+        <p class="prev-next-title">core._cli</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -797,17 +802,15 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer"><code class="docutils literal notranslate"><span class="pre">OCPTrainer</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.train"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.train()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._forward"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._forward()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_loss"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_loss()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer._compute_metrics"><code class="docutils literal notranslate"><span class="pre">OCPTrainer._compute_metrics()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.predict"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.predict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#core.trainers.ocp_trainer.OCPTrainer.run_relaxations"><code class="docutils literal notranslate"><span class="pre">OCPTrainer.run_relaxations()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -860,8 +863,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
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@@ -72,27 +72,23 @@
 
   
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
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@@ -139,6 +140,8 @@
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
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+<li class="toctree-l4"><a class="reference internal" href="../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+</ul>
+</details></li>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -624,36 +630,14 @@ <h2> Contents </h2>
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   <section id="module-data">
-<span id="data"></span><h1><a class="reference internal" href="#module-data" title="data"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><a class="headerlink" href="#module-data" title="Link to this heading">#</a></h1>
+<span id="data"></span><h1>data<a class="headerlink" href="#module-data" title="Link to this heading">#</a></h1>
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 </div>
 </section>
@@ -686,7 +670,7 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
               
               
               
-                <footer class="prev-next-footer">
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 `);
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@@ -583,14 +589,14 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,20 +617,18 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate"><code class="docutils literal notranslate"><span class="pre">randomly_rotate_adsorbate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate"><code class="docutils literal notranslate"><span class="pre">randomly_rotate_adsorbate()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -639,28 +643,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core.adsorbate">
-<span id="data-oc-core-adsorbate"></span><h1><a class="reference internal" href="#module-data.oc.core.adsorbate" title="data.oc.core.adsorbate"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate</span></code></a><a class="headerlink" href="#module-data.oc.core.adsorbate" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-core-adsorbate"></span><h1>data.oc.core.adsorbate<a class="headerlink" href="#module-data.oc.core.adsorbate" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.adsorbate.Adsorbate" title="data.oc.core.adsorbate.Adsorbate"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Adsorbate</span></code></a></p></td>
 <td><p>Initializes an adsorbate object in one of 4 ways:</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate" title="data.oc.core.adsorbate.randomly_rotate_adsorbate"><code class="xref py py-obj docutils literal notranslate"><span class="pre">randomly_rotate_adsorbate</span></code></a>(adsorbate_atoms[, mode, ...])</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.adsorbate.Adsorbate">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.adsorbate.</span></span><span class="sig-name descname"><span class="pre">Adsorbate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">adsorbate_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_smiles_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_db_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">ADSORBATE_PKL_PATH</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Dict</span><span class="p"><span class="pre">[</span></span><span class="pre">int</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">Any</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Ellipsis</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_binding_indices</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">list</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.adsorbate.Adsorbate" title="Link to this definition">#</a></dt>
@@ -722,7 +729,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">data.oc.core.adsorbate.</span></span><span class="sig-name descname"><span class="pre">randomly_rotate_adsorbate</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">adsorbate_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'random'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">binding_idx</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -753,7 +759,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
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+        <p class="prev-next-title">data.oc.core</p>
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@@ -770,7 +776,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate_slab_config</span></code></p>
+        <p class="prev-next-title">data.oc.core.adsorbate_slab_config</p>
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@@ -790,20 +796,18 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate"><code class="docutils literal notranslate"><span class="pre">randomly_rotate_adsorbate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate.randomly_rotate_adsorbate"><code class="docutils literal notranslate"><span class="pre">randomly_rotate_adsorbate()</span></code></a></li>
 </ul>
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@@ -854,8 +858,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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--- a/autoapi/data/oc/core/adsorbate_slab_config/index.html
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@@ -14,46 +14,46 @@
   
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,25 +617,23 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle"><code class="docutils literal notranslate"><span class="pre">get_random_sites_on_triangle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.custom_tile_atoms"><code class="docutils literal notranslate"><span class="pre">custom_tile_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_interstitial_distances"><code class="docutils literal notranslate"><span class="pre">get_interstitial_distances()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.there_is_overlap"><code class="docutils literal notranslate"><span class="pre">there_is_overlap()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle"><code class="docutils literal notranslate"><span class="pre">get_random_sites_on_triangle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.custom_tile_atoms"><code class="docutils literal notranslate"><span class="pre">custom_tile_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_interstitial_distances"><code class="docutils literal notranslate"><span class="pre">get_interstitial_distances()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.there_is_overlap"><code class="docutils literal notranslate"><span class="pre">there_is_overlap()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -644,22 +648,21 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core.adsorbate_slab_config">
-<span id="data-oc-core-adsorbate-slab-config"></span><h1><a class="reference internal" href="#module-data.oc.core.adsorbate_slab_config" title="data.oc.core.adsorbate_slab_config"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate_slab_config</span></code></a><a class="headerlink" href="#module-data.oc.core.adsorbate_slab_config" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-core-adsorbate-slab-config"></span><h1>data.oc.core.adsorbate_slab_config<a class="headerlink" href="#module-data.oc.core.adsorbate_slab_config" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig" title="data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a></p></td>
 <td><p>Initializes a list of adsorbate-catalyst systems for a given Adsorbate and Slab.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle" title="data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_random_sites_on_triangle</span></code></a>(vertices[, num_sites])</p></td>
 <td><p>Sample <cite>num_sites</cite> random sites uniformly on a given 3D triangle.</p></td>
@@ -675,6 +678,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.adsorbate_slab_config.</span></span><span class="sig-name descname"><span class="pre">AdsorbateSlabConfig</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">slab</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">fairchem.data.oc.core.Slab</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">fairchem.data.oc.core.Adsorbate</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sites</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_augmentations_per_site</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">interstitial_gap</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'random'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig" title="Link to this definition">#</a></dt>
@@ -911,7 +918,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
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 </section>
 </section>
 
@@ -942,7 +948,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
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+        <p class="prev-next-title">data.oc.core.adsorbate</p>
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@@ -959,7 +965,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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@@ -979,25 +985,23 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle"><code class="docutils literal notranslate"><span class="pre">get_random_sites_on_triangle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.custom_tile_atoms"><code class="docutils literal notranslate"><span class="pre">custom_tile_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_interstitial_distances"><code class="docutils literal notranslate"><span class="pre">get_interstitial_distances()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.there_is_overlap"><code class="docutils literal notranslate"><span class="pre">there_is_overlap()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_random_sites_on_triangle"><code class="docutils literal notranslate"><span class="pre">get_random_sites_on_triangle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.custom_tile_atoms"><code class="docutils literal notranslate"><span class="pre">custom_tile_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.get_interstitial_distances"><code class="docutils literal notranslate"><span class="pre">get_interstitial_distances()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.adsorbate_slab_config.there_is_overlap"><code class="docutils literal notranslate"><span class="pre">there_is_overlap()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1048,8 +1052,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -611,19 +617,17 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__str__"><code class="docutils literal notranslate"><span class="pre">Bulk.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__repr__"><code class="docutils literal notranslate"><span class="pre">Bulk.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__eq__"><code class="docutils literal notranslate"><span class="pre">Bulk.__eq__()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -640,18 +644,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core.bulk">
-<span id="data-oc-core-bulk"></span><h1><a class="reference internal" href="#module-data.oc.core.bulk" title="data.oc.core.bulk"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.bulk</span></code></a><a class="headerlink" href="#module-data.oc.core.bulk" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-core-bulk"></span><h1>data.oc.core.bulk<a class="headerlink" href="#module-data.oc.core.bulk" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.bulk.Bulk" title="data.oc.core.bulk.Bulk"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Bulk</span></code></a></p></td>
 <td><p>Initializes a bulk object in one of 4 ways:</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.bulk.Bulk">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.bulk.</span></span><span class="sig-name descname"><span class="pre">Bulk</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bulk_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_src_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_db_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">BULK_PKL_PATH</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">List</span><span class="p"><span class="pre">[</span></span><span class="pre">Dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.bulk.Bulk" title="Link to this definition">#</a></dt>
@@ -717,7 +723,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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 </section>
 
@@ -748,7 +753,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate_slab_config</span></code></p>
+        <p class="prev-next-title">data.oc.core.adsorbate_slab_config</p>
       </div>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.multi_adsorbate_slab_config</span></code></p>
+        <p class="prev-next-title">data.oc.core.multi_adsorbate_slab_config</p>
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@@ -785,19 +790,17 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk._get_bulk_from_random"><code class="docutils literal notranslate"><span class="pre">Bulk._get_bulk_from_random()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.set_source_dataset_id"><code class="docutils literal notranslate"><span class="pre">Bulk.set_source_dataset_id()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.set_bulk_id_from_db"><code class="docutils literal notranslate"><span class="pre">Bulk.set_bulk_id_from_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.get_slabs"><code class="docutils literal notranslate"><span class="pre">Bulk.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__str__"><code class="docutils literal notranslate"><span class="pre">Bulk.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__repr__"><code class="docutils literal notranslate"><span class="pre">Bulk.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__eq__"><code class="docutils literal notranslate"><span class="pre">Bulk.__eq__()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk._get_bulk_from_random"><code class="docutils literal notranslate"><span class="pre">Bulk._get_bulk_from_random()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.set_source_dataset_id"><code class="docutils literal notranslate"><span class="pre">Bulk.set_source_dataset_id()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.set_bulk_id_from_db"><code class="docutils literal notranslate"><span class="pre">Bulk.set_bulk_id_from_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.get_slabs"><code class="docutils literal notranslate"><span class="pre">Bulk.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__str__"><code class="docutils literal notranslate"><span class="pre">Bulk.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__repr__"><code class="docutils literal notranslate"><span class="pre">Bulk.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.bulk.Bulk.__eq__"><code class="docutils literal notranslate"><span class="pre">Bulk.__eq__()</span></code></a></li>
 </ul>
 </li>
 </ul>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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 </form></div>
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+
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
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 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,56 +618,54 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk._get_bulk_from_random"><code class="docutils literal notranslate"><span class="pre">Bulk._get_bulk_from_random()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
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-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_random_slab"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_random_slab()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_precomputed_slabs_pkl"><code class="docutils literal notranslate"><span class="pre">Slab.from_precomputed_slabs_pkl()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_atoms"><code class="docutils literal notranslate"><span class="pre">Slab.from_atoms()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk._get_bulk_from_random"><code class="docutils literal notranslate"><span class="pre">Bulk._get_bulk_from_random()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.set_source_dataset_id"><code class="docutils literal notranslate"><span class="pre">Bulk.set_source_dataset_id()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.set_bulk_id_from_db"><code class="docutils literal notranslate"><span class="pre">Bulk.set_bulk_id_from_db()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.get_slabs"><code class="docutils literal notranslate"><span class="pre">Bulk.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__str__"><code class="docutils literal notranslate"><span class="pre">Bulk.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__repr__"><code class="docutils literal notranslate"><span class="pre">Bulk.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__eq__"><code class="docutils literal notranslate"><span class="pre">Bulk.__eq__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_random_slab"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_random_slab()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_specific_millers"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_specific_millers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_all_slabs"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_all_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_precomputed_slabs_pkl"><code class="docutils literal notranslate"><span class="pre">Slab.from_precomputed_slabs_pkl()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_atoms"><code class="docutils literal notranslate"><span class="pre">Slab.from_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.has_surface_tagged"><code class="docutils literal notranslate"><span class="pre">Slab.has_surface_tagged()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">Slab.get_metadata_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.__len__"><code class="docutils literal notranslate"><span class="pre">Slab.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.__str__"><code class="docutils literal notranslate"><span class="pre">Slab.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.__repr__"><code class="docutils literal notranslate"><span class="pre">Slab.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.__eq__"><code class="docutils literal notranslate"><span class="pre">Slab.__eq__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__len__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__str__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate.__repr__"><code class="docutils literal notranslate"><span class="pre">Adsorbate.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate._get_adsorbate_from_random"><code class="docutils literal notranslate"><span class="pre">Adsorbate._get_adsorbate_from_random()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Adsorbate._load_adsorbate"><code class="docutils literal notranslate"><span class="pre">Adsorbate._load_adsorbate()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig.place_adsorbates_on_sites"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.place_adsorbates_on_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.get_binding_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_binding_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.place_adsorbate_on_site"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_site()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.place_adsorbate_on_sites"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.place_adsorbate_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._get_scaled_normal"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_scaled_normal()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._find_combos_to_check"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._find_combos_to_check()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig._get_projected_points"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig._get_projected_points()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.AdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig.place_adsorbates_on_sites"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.place_adsorbates_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.MultipleAdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -678,24 +682,22 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core">
-<span id="data-oc-core"></span><h1><a class="reference internal" href="#module-data.oc.core" title="data.oc.core"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core</span></code></a><a class="headerlink" href="#module-data.oc.core" title="Link to this heading">#</a></h1>
+<span id="data-oc-core"></span><h1>data.oc.core<a class="headerlink" href="#module-data.oc.core" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="adsorbate/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="adsorbate_slab_config/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate_slab_config</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="bulk/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.bulk</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="multi_adsorbate_slab_config/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.multi_adsorbate_slab_config</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="slab/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.slab</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="adsorbate/index.html">data.oc.core.adsorbate</a></li>
+<li class="toctree-l1"><a class="reference internal" href="adsorbate_slab_config/index.html">data.oc.core.adsorbate_slab_config</a></li>
+<li class="toctree-l1"><a class="reference internal" href="bulk/index.html">data.oc.core.bulk</a></li>
+<li class="toctree-l1"><a class="reference internal" href="multi_adsorbate_slab_config/index.html">data.oc.core.multi_adsorbate_slab_config</a></li>
+<li class="toctree-l1"><a class="reference internal" href="slab/index.html">data.oc.core.slab</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.Bulk" title="data.oc.core.Bulk"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Bulk</span></code></a></p></td>
 <td><p>Initializes a bulk object in one of 4 ways:</p></td>
@@ -714,6 +716,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.Bulk">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.</span></span><span class="sig-name descname"><span class="pre">Bulk</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bulk_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_src_id_from_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_db_path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">BULK_PKL_PATH</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_db</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">List</span><span class="p"><span class="pre">[</span></span><span class="pre">Dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.Bulk" title="Link to this definition">#</a></dt>
@@ -1145,7 +1151,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1176,7 +1181,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1185,7 +1190,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc</span></code></p>
+        <p class="prev-next-title">data.oc</p>
       </div>
     </a>
     <a class="right-next"
@@ -1193,7 +1198,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.adsorbate</span></code></p>
+        <p class="prev-next-title">data.oc.core.adsorbate</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1214,56 +1219,54 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk._get_bulk_from_random"><code class="docutils literal notranslate"><span class="pre">Bulk._get_bulk_from_random()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.set_source_dataset_id"><code class="docutils literal notranslate"><span class="pre">Bulk.set_source_dataset_id()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.set_bulk_id_from_db"><code class="docutils literal notranslate"><span class="pre">Bulk.set_bulk_id_from_db()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.get_slabs"><code class="docutils literal notranslate"><span class="pre">Bulk.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__len__"><code class="docutils literal notranslate"><span class="pre">Bulk.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__str__"><code class="docutils literal notranslate"><span class="pre">Bulk.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__repr__"><code class="docutils literal notranslate"><span class="pre">Bulk.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Bulk.__eq__"><code class="docutils literal notranslate"><span class="pre">Bulk.__eq__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_random_slab"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_random_slab()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_specific_millers"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_specific_millers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.Slab.from_bulk_get_all_slabs"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_all_slabs()</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -611,17 +617,15 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.place_adsorbates_on_sites"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.place_adsorbates_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.update_distance_map"><code class="docutils literal notranslate"><span class="pre">update_distance_map()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -636,28 +640,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core.multi_adsorbate_slab_config">
-<span id="data-oc-core-multi-adsorbate-slab-config"></span><h1><a class="reference internal" href="#module-data.oc.core.multi_adsorbate_slab_config" title="data.oc.core.multi_adsorbate_slab_config"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.multi_adsorbate_slab_config</span></code></a><a class="headerlink" href="#module-data.oc.core.multi_adsorbate_slab_config" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-core-multi-adsorbate-slab-config"></span><h1>data.oc.core.multi_adsorbate_slab_config<a class="headerlink" href="#module-data.oc.core.multi_adsorbate_slab_config" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig" title="data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a></p></td>
 <td><p>Class to represent a slab with multiple adsorbates on it. This class only</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.multi_adsorbate_slab_config.update_distance_map" title="data.oc.core.multi_adsorbate_slab_config.update_distance_map"><code class="xref py py-obj docutils literal notranslate"><span class="pre">update_distance_map</span></code></a>(prev_distance_map, site_idx, ...)</p></td>
 <td><p>Given a new site and the adsorbate we plan on placing there,</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.multi_adsorbate_slab_config.</span></span><span class="sig-name descname"><span class="pre">MultipleAdsorbateSlabConfig</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">slab</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">fairchem.data.oc.core.Slab</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbates</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">List</span><span class="p"><span class="pre">[</span></span><span class="pre">fairchem.data.oc.core.Adsorbate</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_sites</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">num_configurations</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">int</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">interstitial_gap</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mode</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'random_site_heuristic_placement'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig" title="Link to this definition">#</a></dt>
@@ -729,7 +736,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 calculation to prevent atom overlap.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -760,7 +766,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
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+        <p class="prev-next-title">data.oc.core.bulk</p>
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@@ -777,7 +783,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.slab</span></code></p>
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   </div>
   <nav class="bd-toc-nav page-toc">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.place_adsorbates_on_sites"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.place_adsorbates_on_sites()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.update_distance_map"><code class="docutils literal notranslate"><span class="pre">update_distance_map()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.place_adsorbates_on_sites"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.place_adsorbates_on_sites()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.MultipleAdsorbateSlabConfig.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">MultipleAdsorbateSlabConfig.get_metadata_dict()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.multi_adsorbate_slab_config.update_distance_map"><code class="docutils literal notranslate"><span class="pre">update_distance_map()</span></code></a></li>
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@@ -72,27 +72,23 @@
 
   
   
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 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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@@ -262,8 +265,8 @@
 
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -611,37 +617,35 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_and_tag_atoms"><code class="docutils literal notranslate"><span class="pre">tile_and_tag_atoms()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_by_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_by_height()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_with_voronoi_given_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_with_voronoi_given_height()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_all_slabs"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_all_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_precomputed_slabs_pkl"><code class="docutils literal notranslate"><span class="pre">Slab.from_precomputed_slabs_pkl()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_atoms"><code class="docutils literal notranslate"><span class="pre">Slab.from_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.has_surface_tagged"><code class="docutils literal notranslate"><span class="pre">Slab.has_surface_tagged()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">Slab.get_metadata_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__len__"><code class="docutils literal notranslate"><span class="pre">Slab.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__str__"><code class="docutils literal notranslate"><span class="pre">Slab.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__repr__"><code class="docutils literal notranslate"><span class="pre">Slab.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__eq__"><code class="docutils literal notranslate"><span class="pre">Slab.__eq__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_and_tag_atoms"><code class="docutils literal notranslate"><span class="pre">tile_and_tag_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.set_fixed_atom_constraints"><code class="docutils literal notranslate"><span class="pre">set_fixed_atom_constraints()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tag_surface_atoms"><code class="docutils literal notranslate"><span class="pre">tag_surface_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_atoms"><code class="docutils literal notranslate"><span class="pre">tile_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_by_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_by_height()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_with_voronoi_given_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_with_voronoi_given_height()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_center_of_mass"><code class="docutils literal notranslate"><span class="pre">calculate_center_of_mass()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_coordination_of_bulk_atoms"><code class="docutils literal notranslate"><span class="pre">calculate_coordination_of_bulk_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.compute_slabs"><code class="docutils literal notranslate"><span class="pre">compute_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -656,22 +660,21 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.core.slab">
-<span id="data-oc-core-slab"></span><h1><a class="reference internal" href="#module-data.oc.core.slab" title="data.oc.core.slab"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.slab</span></code></a><a class="headerlink" href="#module-data.oc.core.slab" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-core-slab"></span><h1>data.oc.core.slab<a class="headerlink" href="#module-data.oc.core.slab" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.slab.Slab" title="data.oc.core.slab.Slab"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Slab</span></code></a></p></td>
 <td><p>Initializes a slab object, i.e. a particular slab tiled along xyz, in</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.core.slab.tile_and_tag_atoms" title="data.oc.core.slab.tile_and_tag_atoms"><code class="xref py py-obj docutils literal notranslate"><span class="pre">tile_and_tag_atoms</span></code></a>(unit_slab_struct, bulk_atoms[, min_ab])</p></td>
 <td><p>This function combines the next three functions that tile, tag,</p></td>
@@ -711,6 +714,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.core.slab.Slab">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.core.slab.</span></span><span class="sig-name descname"><span class="pre">Slab</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bulk</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">slab_atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">millers</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">shift</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">top</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">bool</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">oriented_bulk</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">pymatgen.core.structure.Structure</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">min_ab</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.8</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.core.slab.Slab" title="Link to this definition">#</a></dt>
@@ -1061,7 +1068,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1092,7 +1098,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1101,7 +1107,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core.multi_adsorbate_slab_config</span></code></p>
+        <p class="prev-next-title">data.oc.core.multi_adsorbate_slab_config</p>
       </div>
     </a>
     <a class="right-next"
@@ -1109,7 +1115,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases</span></code></p>
+        <p class="prev-next-title">data.oc.databases</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1129,37 +1135,35 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_random_slab"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_random_slab()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_specific_millers"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_specific_millers()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_all_slabs"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_all_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_precomputed_slabs_pkl"><code class="docutils literal notranslate"><span class="pre">Slab.from_precomputed_slabs_pkl()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_atoms"><code class="docutils literal notranslate"><span class="pre">Slab.from_atoms()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.has_surface_tagged"><code class="docutils literal notranslate"><span class="pre">Slab.has_surface_tagged()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">Slab.get_metadata_dict()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__len__"><code class="docutils literal notranslate"><span class="pre">Slab.__len__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__str__"><code class="docutils literal notranslate"><span class="pre">Slab.__str__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__repr__"><code class="docutils literal notranslate"><span class="pre">Slab.__repr__()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__eq__"><code class="docutils literal notranslate"><span class="pre">Slab.__eq__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_and_tag_atoms"><code class="docutils literal notranslate"><span class="pre">tile_and_tag_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.set_fixed_atom_constraints"><code class="docutils literal notranslate"><span class="pre">set_fixed_atom_constraints()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tag_surface_atoms"><code class="docutils literal notranslate"><span class="pre">tag_surface_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_atoms"><code class="docutils literal notranslate"><span class="pre">tile_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_by_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_by_height()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_with_voronoi_given_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_with_voronoi_given_height()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_center_of_mass"><code class="docutils literal notranslate"><span class="pre">calculate_center_of_mass()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_coordination_of_bulk_atoms"><code class="docutils literal notranslate"><span class="pre">calculate_coordination_of_bulk_atoms()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.compute_slabs"><code class="docutils literal notranslate"><span class="pre">compute_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_random_slab"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_random_slab()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_specific_millers"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_specific_millers()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_bulk_get_all_slabs"><code class="docutils literal notranslate"><span class="pre">Slab.from_bulk_get_all_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_precomputed_slabs_pkl"><code class="docutils literal notranslate"><span class="pre">Slab.from_precomputed_slabs_pkl()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.from_atoms"><code class="docutils literal notranslate"><span class="pre">Slab.from_atoms()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.has_surface_tagged"><code class="docutils literal notranslate"><span class="pre">Slab.has_surface_tagged()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.get_metadata_dict"><code class="docutils literal notranslate"><span class="pre">Slab.get_metadata_dict()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__len__"><code class="docutils literal notranslate"><span class="pre">Slab.__len__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__str__"><code class="docutils literal notranslate"><span class="pre">Slab.__str__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__repr__"><code class="docutils literal notranslate"><span class="pre">Slab.__repr__()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.Slab.__eq__"><code class="docutils literal notranslate"><span class="pre">Slab.__eq__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_and_tag_atoms"><code class="docutils literal notranslate"><span class="pre">tile_and_tag_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.set_fixed_atom_constraints"><code class="docutils literal notranslate"><span class="pre">set_fixed_atom_constraints()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tag_surface_atoms"><code class="docutils literal notranslate"><span class="pre">tag_surface_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.tile_atoms"><code class="docutils literal notranslate"><span class="pre">tile_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_by_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_by_height()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.find_surface_atoms_with_voronoi_given_height"><code class="docutils literal notranslate"><span class="pre">find_surface_atoms_with_voronoi_given_height()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_center_of_mass"><code class="docutils literal notranslate"><span class="pre">calculate_center_of_mass()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.calculate_coordination_of_bulk_atoms"><code class="docutils literal notranslate"><span class="pre">calculate_coordination_of_bulk_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.compute_slabs"><code class="docutils literal notranslate"><span class="pre">compute_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.core.slab.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1210,8 +1214,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/data/oc/databases/index.html b/autoapi/data/oc/databases/index.html
index 8ed048508..417cdfeb7 100644
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+++ b/autoapi/data/oc/databases/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
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+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
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-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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@@ -625,12 +631,12 @@ <h2> Contents </h2>
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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+        <p class="prev-next-title">data.oc.core.slab</p>
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+        <p class="prev-next-title">data.oc.databases.pkls</p>
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+
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
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@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.pkls.BULK_PKL_PATH"><code class="docutils literal notranslate"><span class="pre">BULK_PKL_PATH</span></code></a></li>
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+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
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+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.databases.pkls.BULK_PKL_PATH" title="data.oc.databases.pkls.BULK_PKL_PATH"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BULK_PKL_PATH</span></code></a></p></td>
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 <section id="package-contents">
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@@ -671,7 +692,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
               
               
               
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@@ -680,7 +701,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
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+        <p class="prev-next-title">data.oc.databases</p>
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@@ -688,7 +709,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
        title="next page">
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         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases.update</span></code></p>
+        <p class="prev-next-title">data.oc.databases.update</p>
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   </div>
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.pkls.BULK_PKL_PATH"><code class="docutils literal notranslate"><span class="pre">BULK_PKL_PATH</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.pkls.ADSORBATE_PKL_PATH"><code class="docutils literal notranslate"><span class="pre">ADSORBATE_PKL_PATH</span></code></a></li>
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
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+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.pbc_patch"><code class="docutils literal notranslate"><span class="pre">pbc_patch()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.pbc_patch"><code class="docutils literal notranslate"><span class="pre">pbc_patch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.set_pbc_patch"><code class="docutils literal notranslate"><span class="pre">set_pbc_patch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.update_pkls"><code class="docutils literal notranslate"><span class="pre">update_pkls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.update_dbs"><code class="docutils literal notranslate"><span class="pre">update_dbs()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,14 +637,12 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.databases.update">
-<span id="data-oc-databases-update"></span><h1><a class="reference internal" href="#module-data.oc.databases.update" title="data.oc.databases.update"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases.update</span></code></a><a class="headerlink" href="#module-data.oc.databases.update" title="Link to this heading">#</a></h1>
+<span id="data-oc-databases-update"></span><h1>data.oc.databases.update<a class="headerlink" href="#module-data.oc.databases.update" title="Link to this heading">#</a></h1>
 <p>Script for updating ase pkl and db files from v3.19 to v3.21.
 Run it with ase v3.19.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.databases.update.pbc_patch" title="data.oc.databases.update.pbc_patch"><code class="xref py py-obj docutils literal notranslate"><span class="pre">pbc_patch</span></code></a>(self)</p></td>
 <td><p></p></td>
@@ -656,6 +658,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.oc.databases.update.pbc_patch">
 <span class="sig-prename descclassname"><span class="pre">data.oc.databases.update.</span></span><span class="sig-name descname"><span class="pre">pbc_patch</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">self</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.databases.update.pbc_patch" title="Link to this definition">#</a></dt>
@@ -676,7 +682,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">data.oc.databases.update.</span></span><span class="sig-name descname"><span class="pre">update_dbs</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.databases.update.update_dbs" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -707,7 +712,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -716,7 +721,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases.pkls</span></code></p>
+        <p class="prev-next-title">data.oc.databases.pkls</p>
       </div>
     </a>
     <a class="right-next"
@@ -724,7 +729,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.tests</span></code></p>
+        <p class="prev-next-title">data.oc.tests</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -744,14 +749,12 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.pbc_patch"><code class="docutils literal notranslate"><span class="pre">pbc_patch()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.pbc_patch"><code class="docutils literal notranslate"><span class="pre">pbc_patch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.set_pbc_patch"><code class="docutils literal notranslate"><span class="pre">set_pbc_patch()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.update_pkls"><code class="docutils literal notranslate"><span class="pre">update_pkls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.databases.update.update_dbs"><code class="docutils literal notranslate"><span class="pre">update_dbs()</span></code></a></li>
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@@ -802,8 +805,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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diff --git a/autoapi/data/oc/experimental/get_energies/index.html b/autoapi/data/oc/experimental/get_energies/index.html
index f4e2b0355..35397d920 100644
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@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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@@ -112,8 +108,13 @@
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 </form></div>
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,14 +617,12 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.process_func"><code class="docutils literal notranslate"><span class="pre">process_func()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.input_folder"><code class="docutils literal notranslate"><span class="pre">input_folder</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.process_func"><code class="docutils literal notranslate"><span class="pre">process_func()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.get_energies.input_folder"><code class="docutils literal notranslate"><span class="pre">input_folder</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -633,31 +637,34 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.experimental.get_energies">
-<span id="data-oc-experimental-get-energies"></span><h1><a class="reference internal" href="#module-data.oc.experimental.get_energies" title="data.oc.experimental.get_energies"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.experimental.get_energies</span></code></a><a class="headerlink" href="#module-data.oc.experimental.get_energies" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="data-oc-experimental-get-energies"></span><h1>data.oc.experimental.get_energies<a class="headerlink" href="#module-data.oc.experimental.get_energies" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.extract_file" title="data.oc.experimental.get_energies.extract_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">extract_file</span></code></a>(zipname, file_to_unzip, extract_to)</p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.process_func" title="data.oc.experimental.get_energies.process_func"><code class="xref py py-obj docutils literal notranslate"><span class="pre">process_func</span></code></a>(indices, dirlist, ans)</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.input_folder" title="data.oc.experimental.get_energies.input_folder"><code class="xref py py-obj docutils literal notranslate"><span class="pre">input_folder</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.input_folder" title="data.oc.experimental.get_energies.input_folder"><code class="xref py py-obj docutils literal notranslate"><span class="pre">input_folder</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.extract_file" title="data.oc.experimental.get_energies.extract_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">extract_file</span></code></a>(zipname, file_to_unzip, extract_to)</p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.experimental.get_energies.process_func" title="data.oc.experimental.get_energies.process_func"><code class="xref py py-obj docutils literal notranslate"><span class="pre">process_func</span></code></a>(indices, dirlist, ans)</p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.oc.experimental.get_energies.extract_file">
 <span class="sig-prename descclassname"><span class="pre">data.oc.experimental.get_energies.</span></span><span class="sig-name descname"><span class="pre">extract_file</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">zipname</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">file_to_unzip</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extract_to</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.experimental.get_energies.extract_file" title="Link to this definition">#</a></dt>
@@ -673,7 +680,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">data.oc.experimental.get_energies.</span></span><span class="sig-name descname"><span class="pre">input_folder</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'temp_download/'</span></em><a class="headerlink" href="#data.oc.experimental.get_energies.input_folder" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -704,7 +710,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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+</button></div>
       
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 <script>
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
 </div></div>
       
     </div>
@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
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@@ -631,12 +635,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.experimental.merge_traj">
-<span id="data-oc-experimental-merge-traj"></span><h1><a class="reference internal" href="#module-data.oc.experimental.merge_traj" title="data.oc.experimental.merge_traj"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.experimental.merge_traj</span></code></a><a class="headerlink" href="#module-data.oc.experimental.merge_traj" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-experimental-merge-traj"></span><h1>data.oc.experimental.merge_traj<a class="headerlink" href="#module-data.oc.experimental.merge_traj" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.merge_traj.extract_file" title="data.oc.experimental.merge_traj.extract_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">extract_file</span></code></a>(zipname, file_to_unzip, extract_to)</p></td>
 <td><p></p></td>
@@ -646,6 +648,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.oc.experimental.merge_traj.extract_file">
 <span class="sig-prename descclassname"><span class="pre">data.oc.experimental.merge_traj.</span></span><span class="sig-name descname"><span class="pre">extract_file</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">zipname</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">file_to_unzip</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">extract_to</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.experimental.merge_traj.extract_file" title="Link to this definition">#</a></dt>
@@ -658,7 +664,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 runs and merges intermediate checkpoints into a single, full trajectory.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -689,7 +694,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -708,12 +713,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.extract_file"><code class="docutils literal notranslate"><span class="pre">extract_file()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.merge_traj.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
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 </ul>
@@ -764,8 +767,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
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index ffa7c5ca6..2160e78bb 100644
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@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-          name="__secondary"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -154,7 +157,7 @@
 
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
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+</button></div>
       
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.perturb_systems.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.perturb_systems.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,18 +634,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.experimental.perturb_systems">
-<span id="data-oc-experimental-perturb-systems"></span><h1><a class="reference internal" href="#module-data.oc.experimental.perturb_systems" title="data.oc.experimental.perturb_systems"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.experimental.perturb_systems</span></code></a><a class="headerlink" href="#module-data.oc.experimental.perturb_systems" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-experimental-perturb-systems"></span><h1>data.oc.experimental.perturb_systems<a class="headerlink" href="#module-data.oc.experimental.perturb_systems" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.perturb_systems.main" title="data.oc.experimental.perturb_systems.main"><code class="xref py py-obj docutils literal notranslate"><span class="pre">main</span></code></a>()</p></td>
 <td><p>Rattles every image along a relaxation pathway at 5 different variances.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.oc.experimental.perturb_systems.main">
 <span class="sig-prename descclassname"><span class="pre">data.oc.experimental.perturb_systems.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.experimental.perturb_systems.main" title="Link to this definition">#</a></dt>
@@ -650,7 +656,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 files necessary to run VASP calculations.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -681,7 +686,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -700,11 +705,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.perturb_systems.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
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 <td><p>Checks whether ASE's rattle modifies fixed atoms.</p></td>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,13 +617,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.v0_check"><code class="docutils literal notranslate"><span class="pre">v0_check()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.restart_bug_check"><code class="docutils literal notranslate"><span class="pre">restart_bug_check()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.plot_traj"><code class="docutils literal notranslate"><span class="pre">plot_traj()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.v0_check"><code class="docutils literal notranslate"><span class="pre">v0_check()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.restart_bug_check"><code class="docutils literal notranslate"><span class="pre">restart_bug_check()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.plot_traj"><code class="docutils literal notranslate"><span class="pre">plot_traj()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -632,12 +636,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.experimental.utils">
-<span id="data-oc-experimental-utils"></span><h1><a class="reference internal" href="#module-data.oc.experimental.utils" title="data.oc.experimental.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.experimental.utils</span></code></a><a class="headerlink" href="#module-data.oc.experimental.utils" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-experimental-utils"></span><h1>data.oc.experimental.utils<a class="headerlink" href="#module-data.oc.experimental.utils" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.experimental.utils.v0_check" title="data.oc.experimental.utils.v0_check"><code class="xref py py-obj docutils literal notranslate"><span class="pre">v0_check</span></code></a>(full_traj, initial)</p></td>
 <td><p>Checks whether the initial structure as gathered from the POSCAR input file</p></td>
@@ -650,6 +652,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.oc.experimental.utils.v0_check">
 <span class="sig-prename descclassname"><span class="pre">data.oc.experimental.utils.</span></span><span class="sig-name descname"><span class="pre">v0_check</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">full_traj</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">initial</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.experimental.utils.v0_check" title="Link to this definition">#</a></dt>
@@ -682,7 +688,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 fname (str): Filename to be used as title and save figure as.</p>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -713,7 +718,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -732,13 +737,11 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.v0_check"><code class="docutils literal notranslate"><span class="pre">v0_check()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.restart_bug_check"><code class="docutils literal notranslate"><span class="pre">restart_bug_check()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.plot_traj"><code class="docutils literal notranslate"><span class="pre">plot_traj()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.v0_check"><code class="docutils literal notranslate"><span class="pre">v0_check()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.restart_bug_check"><code class="docutils literal notranslate"><span class="pre">restart_bug_check()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.experimental.utils.plot_traj"><code class="docutils literal notranslate"><span class="pre">plot_traj()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -789,8 +792,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/data/oc/index.html b/autoapi/data/oc/index.html
index 623c309c5..a789f5a7e 100644
--- a/autoapi/data/oc/index.html
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@@ -72,27 +72,23 @@
 
   
   
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
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@@ -139,6 +140,8 @@
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
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 <p>This source code is licensed under the MIT license found in the
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 <ul>
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 </div>
 </section>
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+<li class="toctree-l1"><a class="reference internal" href="structure_generator/index.html">data.oc.structure_generator</a></li>
 </ul>
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+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.__version__" title="data.oc.__version__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__version__</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
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+</section>
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@@ -704,7 +707,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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+        <p class="prev-next-title">data</p>
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     </a>
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@@ -721,7 +724,7 @@ <h2>Package Contents<a class="headerlink" href="#package-contents" title="Link t
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core</span></code></p>
+        <p class="prev-next-title">data.oc.core</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button>
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     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__authors__"><code class="docutils literal notranslate"><span class="pre">__authors__</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving"><code class="docutils literal notranslate"><span class="pre">enumerate_surfaces_for_saving()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.precompute_enumerate_surface"><code class="docutils literal notranslate"><span class="pre">precompute_enumerate_surface()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.s"><code class="docutils literal notranslate"><span class="pre">s</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__authors__"><code class="docutils literal notranslate"><span class="pre">__authors__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__email__"><code class="docutils literal notranslate"><span class="pre">__email__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving"><code class="docutils literal notranslate"><span class="pre">enumerate_surfaces_for_saving()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.precompute_enumerate_surface"><code class="docutils literal notranslate"><span class="pre">precompute_enumerate_surface()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.s"><code class="docutils literal notranslate"><span class="pre">s</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -640,16 +644,37 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.scripts.precompute_sample_structures">
-<span id="data-oc-scripts-precompute-sample-structures"></span><h1><a class="reference internal" href="#module-data.oc.scripts.precompute_sample_structures" title="data.oc.scripts.precompute_sample_structures"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.scripts.precompute_sample_structures</span></code></a><a class="headerlink" href="#module-data.oc.scripts.precompute_sample_structures" title="Link to this heading">#</a></h1>
+<span id="data-oc-scripts-precompute-sample-structures"></span><h1>data.oc.scripts.precompute_sample_structures<a class="headerlink" href="#module-data.oc.scripts.precompute_sample_structures" title="Link to this heading">#</a></h1>
 <p>This submodule contains the scripts that the we used to sample the adsorption
 structures.</p>
 <p>Note that some of these scripts were taken from
 [GASpy](<a class="github reference external" href="https://github.com/ulissigroup/GASpy">ulissigroup/GASpy</a>) with permission of author.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.__authors__" title="data.oc.scripts.precompute_sample_structures.__authors__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__authors__</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.__email__" title="data.oc.scripts.precompute_sample_structures.__email__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__email__</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL" title="data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER" title="data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.s" title="data.oc.scripts.precompute_sample_structures.s"><code class="xref py py-obj docutils literal notranslate"><span class="pre">s</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving" title="data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving"><code class="xref py py-obj docutils literal notranslate"><span class="pre">enumerate_surfaces_for_saving</span></code></a>(bulk_atoms[, max_miller])</p></td>
 <td><p>Enumerate all the symmetrically distinct surfaces of a bulk structure. It</p></td>
@@ -668,28 +693,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.__authors__" title="data.oc.scripts.precompute_sample_structures.__authors__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__authors__</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.__email__" title="data.oc.scripts.precompute_sample_structures.__email__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__email__</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL" title="data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="xref py py-obj docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER" title="data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.scripts.precompute_sample_structures.s" title="data.oc.scripts.precompute_sample_structures.s"><code class="xref py py-obj docutils literal notranslate"><span class="pre">s</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="data.oc.scripts.precompute_sample_structures.__authors__">
 <span class="sig-prename descclassname"><span class="pre">data.oc.scripts.precompute_sample_structures.</span></span><span class="sig-name descname"><span class="pre">__authors__</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">['Kevin</span> <span class="pre">Tran',</span> <span class="pre">'Aini</span> <span class="pre">Palizhati',</span> <span class="pre">'Siddharth</span> <span class="pre">Goyal',</span> <span class="pre">'Zachary</span> <span class="pre">Ulissi']</span></em><a class="headerlink" href="#data.oc.scripts.precompute_sample_structures.__authors__" title="Link to this definition">#</a></dt>
@@ -811,7 +818,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">data.oc.scripts.precompute_sample_structures.</span></span><span class="sig-name descname"><span class="pre">s</span></span><a class="headerlink" href="#data.oc.scripts.precompute_sample_structures.s" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -842,7 +848,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -861,21 +867,19 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__authors__"><code class="docutils literal notranslate"><span class="pre">__authors__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__email__"><code class="docutils literal notranslate"><span class="pre">__email__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving"><code class="docutils literal notranslate"><span class="pre">enumerate_surfaces_for_saving()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.precompute_enumerate_surface"><code class="docutils literal notranslate"><span class="pre">precompute_enumerate_surface()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.s"><code class="docutils literal notranslate"><span class="pre">s</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__authors__"><code class="docutils literal notranslate"><span class="pre">__authors__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.__email__"><code class="docutils literal notranslate"><span class="pre">__email__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.BULK_PKL"><code class="docutils literal notranslate"><span class="pre">BULK_PKL</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.MAX_MILLER"><code class="docutils literal notranslate"><span class="pre">MAX_MILLER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.enumerate_surfaces_for_saving"><code class="docutils literal notranslate"><span class="pre">enumerate_surfaces_for_saving()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.standardize_bulk"><code class="docutils literal notranslate"><span class="pre">standardize_bulk()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.is_structure_invertible"><code class="docutils literal notranslate"><span class="pre">is_structure_invertible()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.flip_struct"><code class="docutils literal notranslate"><span class="pre">flip_struct()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.precompute_enumerate_surface"><code class="docutils literal notranslate"><span class="pre">precompute_enumerate_surface()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.scripts.precompute_sample_structures.s"><code class="docutils literal notranslate"><span class="pre">s</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -926,8 +930,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/autoapi/data/oc/structure_generator/index.html b/autoapi/data/oc/structure_generator/index.html
index 993368300..bc1853d93 100644
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+++ b/autoapi/data/oc/structure_generator/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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 </form></div>
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
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+<li class="toctree-l4"><a class="reference internal" href="../../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="../../../ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
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+</ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,22 +617,20 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator"><code class="docutils literal notranslate"><span class="pre">StructureGenerator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator.run"><code class="docutils literal notranslate"><span class="pre">StructureGenerator.run()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator._write_adslabs"><code class="docutils literal notranslate"><span class="pre">StructureGenerator._write_adslabs()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.write_surface"><code class="docutils literal notranslate"><span class="pre">write_surface()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.precompute_slabs"><code class="docutils literal notranslate"><span class="pre">precompute_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.run_placements"><code class="docutils literal notranslate"><span class="pre">run_placements()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator"><code class="docutils literal notranslate"><span class="pre">StructureGenerator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator.run"><code class="docutils literal notranslate"><span class="pre">StructureGenerator.run()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator._write_adslabs"><code class="docutils literal notranslate"><span class="pre">StructureGenerator._write_adslabs()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.write_surface"><code class="docutils literal notranslate"><span class="pre">write_surface()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.precompute_slabs"><code class="docutils literal notranslate"><span class="pre">precompute_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.run_placements"><code class="docutils literal notranslate"><span class="pre">run_placements()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -641,22 +645,32 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.structure_generator">
-<span id="data-oc-structure-generator"></span><h1><a class="reference internal" href="#module-data.oc.structure_generator" title="data.oc.structure_generator"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.structure_generator</span></code></a><a class="headerlink" href="#module-data.oc.structure_generator" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-structure-generator"></span><h1>data.oc.structure_generator<a class="headerlink" href="#module-data.oc.structure_generator" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.structure_generator.args" title="data.oc.structure_generator.args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">args</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.structure_generator.StructureGenerator" title="data.oc.structure_generator.StructureGenerator"><code class="xref py py-obj docutils literal notranslate"><span class="pre">StructureGenerator</span></code></a></p></td>
 <td><p>A class that creates adsorbate/bulk/slab objects given specified indices,</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.structure_generator.write_surface" title="data.oc.structure_generator.write_surface"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_surface</span></code></a>(args, slab, bulk_index, surface_index)</p></td>
 <td><p>Writes vasp inputs and metadata for a specified  slab</p></td>
@@ -672,16 +686,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.structure_generator.args" title="data.oc.structure_generator.args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">args</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.structure_generator.StructureGenerator">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.structure_generator.</span></span><span class="sig-name descname"><span class="pre">StructureGenerator</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">bulk_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_index</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">adsorbate_index</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.structure_generator.StructureGenerator" title="Link to this definition">#</a></dt>
@@ -770,7 +778,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">data.oc.structure_generator.</span></span><span class="sig-name descname"><span class="pre">args</span></span><a class="headerlink" href="#data.oc.structure_generator.args" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -801,7 +808,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -810,7 +817,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.vasp</span></code></p>
+        <p class="prev-next-title">data.oc.utils.vasp</p>
       </div>
     </a>
     <a class="right-next"
@@ -818,7 +825,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.odac</span></code></p>
+        <p class="prev-next-title">data.odac</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -838,22 +845,20 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator"><code class="docutils literal notranslate"><span class="pre">StructureGenerator</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator.run"><code class="docutils literal notranslate"><span class="pre">StructureGenerator.run()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator._write_adslabs"><code class="docutils literal notranslate"><span class="pre">StructureGenerator._write_adslabs()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.write_surface"><code class="docutils literal notranslate"><span class="pre">write_surface()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.precompute_slabs"><code class="docutils literal notranslate"><span class="pre">precompute_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.run_placements"><code class="docutils literal notranslate"><span class="pre">run_placements()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator"><code class="docutils literal notranslate"><span class="pre">StructureGenerator</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator.run"><code class="docutils literal notranslate"><span class="pre">StructureGenerator.run()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.StructureGenerator._write_adslabs"><code class="docutils literal notranslate"><span class="pre">StructureGenerator._write_adslabs()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.write_surface"><code class="docutils literal notranslate"><span class="pre">write_surface()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.precompute_slabs"><code class="docutils literal notranslate"><span class="pre">precompute_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.run_placements"><code class="docutils literal notranslate"><span class="pre">run_placements()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.structure_generator.args"><code class="docutils literal notranslate"><span class="pre">args</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -904,8 +909,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/data/oc/tests/index.html b/autoapi/data/oc/tests/index.html
index 4cf996523..9dfc166c8 100644
--- a/autoapi/data/oc/tests/index.html
+++ b/autoapi/data/oc/tests/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
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-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_desorbed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_desorbed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_intercalated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_intercalated()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,18 +641,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.utils.flag_anomaly">
-<span id="data-oc-utils-flag-anomaly"></span><h1><a class="reference internal" href="#module-data.oc.utils.flag_anomaly" title="data.oc.utils.flag_anomaly"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.flag_anomaly</span></code></a><a class="headerlink" href="#module-data.oc.utils.flag_anomaly" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-oc-utils-flag-anomaly"></span><h1>data.oc.utils.flag_anomaly<a class="headerlink" href="#module-data.oc.utils.flag_anomaly" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly" title="data.oc.utils.flag_anomaly.DetectTrajAnomaly"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="data.oc.utils.flag_anomaly.DetectTrajAnomaly">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">data.oc.utils.flag_anomaly.</span></span><span class="sig-name descname"><span class="pre">DetectTrajAnomaly</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">init_atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">final_atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atoms_tag</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">final_slab_atoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">surface_change_cutoff_multiplier</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">desorption_cutoff_multiplier</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1.5</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly" title="Link to this definition">#</a></dt>
@@ -734,7 +740,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils</span></code></p>
+        <p class="prev-next-title">data.oc.utils</p>
       </div>
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@@ -782,7 +787,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.vasp</span></code></p>
+        <p class="prev-next-title">data.oc.utils.vasp</p>
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@@ -802,16 +807,14 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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     <ul class="visible nav section-nav flex-column">
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_desorbed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_desorbed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_intercalated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_intercalated()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_desorbed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_desorbed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.flag_anomaly.DetectTrajAnomaly.is_adsorbate_intercalated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_intercalated()</span></code></a></li>
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+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,16 +618,14 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_desorbed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_desorbed()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_intercalated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_intercalated()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_dissociated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_dissociated()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.has_surface_changed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.has_surface_changed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_desorbed"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_desorbed()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly._get_connectivity"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly._get_connectivity()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.DetectTrajAnomaly.is_adsorbate_intercalated"><code class="docutils literal notranslate"><span class="pre">DetectTrajAnomaly.is_adsorbate_intercalated()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -638,27 +642,29 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.utils">
-<span id="data-oc-utils"></span><h1><a class="reference internal" href="#module-data.oc.utils" title="data.oc.utils"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils</span></code></a><a class="headerlink" href="#module-data.oc.utils" title="Link to this heading">#</a></h1>
+<span id="data-oc-utils"></span><h1>data.oc.utils<a class="headerlink" href="#module-data.oc.utils" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
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-<li class="toctree-l1"><a class="reference internal" href="flag_anomaly/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.flag_anomaly</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="vasp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.vasp</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="flag_anomaly/index.html">data.oc.utils.flag_anomaly</a></li>
+<li class="toctree-l1"><a class="reference internal" href="vasp/index.html">data.oc.utils.vasp</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
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 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.DetectTrajAnomaly" title="data.oc.utils.DetectTrajAnomaly"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DetectTrajAnomaly</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,18 +617,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.__author__"><code class="docutils literal notranslate"><span class="pre">__author__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.__email__"><code class="docutils literal notranslate"><span class="pre">__email__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">VASP_FLAGS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.BULK_VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">BULK_VASP_FLAGS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp._clean_up_inputs"><code class="docutils literal notranslate"><span class="pre">_clean_up_inputs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.calculate_surface_k_points"><code class="docutils literal notranslate"><span class="pre">calculate_surface_k_points()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.write_vasp_input_files"><code class="docutils literal notranslate"><span class="pre">write_vasp_input_files()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.__author__"><code class="docutils literal notranslate"><span class="pre">__author__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.__email__"><code class="docutils literal notranslate"><span class="pre">__email__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">VASP_FLAGS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.BULK_VASP_FLAGS"><code class="docutils literal notranslate"><span class="pre">BULK_VASP_FLAGS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp._clean_up_inputs"><code class="docutils literal notranslate"><span class="pre">_clean_up_inputs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.calculate_surface_k_points"><code class="docutils literal notranslate"><span class="pre">calculate_surface_k_points()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.oc.utils.vasp.write_vasp_input_files"><code class="docutils literal notranslate"><span class="pre">write_vasp_input_files()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -637,31 +641,13 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.oc.utils.vasp">
-<span id="data-oc-utils-vasp"></span><h1><a class="reference internal" href="#module-data.oc.utils.vasp" title="data.oc.utils.vasp"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.vasp</span></code></a><a class="headerlink" href="#module-data.oc.utils.vasp" title="Link to this heading">#</a></h1>
+<span id="data-oc-utils-vasp"></span><h1>data.oc.utils.vasp<a class="headerlink" href="#module-data.oc.utils.vasp" title="Link to this heading">#</a></h1>
 <p>This submodule contains the scripts that the we used to run VASP.</p>
 <p>Note that some of these scripts were taken and modified from
 [GASpy](<a class="github reference external" href="https://github.com/ulissigroup/GASpy">ulissigroup/GASpy</a>) with permission of authors.</p>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.vasp._clean_up_inputs" title="data.oc.utils.vasp._clean_up_inputs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_clean_up_inputs</span></code></a>(atoms, vasp_flags)</p></td>
-<td><p>Parses the inputs and makes sure some things are straightened out.</p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.utils.vasp.calculate_surface_k_points" title="data.oc.utils.vasp.calculate_surface_k_points"><code class="xref py py-obj docutils literal notranslate"><span class="pre">calculate_surface_k_points</span></code></a>(atoms)</p></td>
-<td><p>For surface calculations, it's a good practice to calculate the k-point</p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.vasp.write_vasp_input_files" title="data.oc.utils.vasp.write_vasp_input_files"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_vasp_input_files</span></code></a>(atoms[, outdir, vasp_flags])</p></td>
-<td><p>Effectively goes through the same motions as the <cite>run_vasp</cite> function,</p></td>
-</tr>
-</tbody>
-</table>
-</section>
 <section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.vasp.__author__" title="data.oc.utils.vasp.__author__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__author__</span></code></a></p></td>
 <td><p></p></td>
@@ -677,6 +663,27 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.vasp._clean_up_inputs" title="data.oc.utils.vasp._clean_up_inputs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_clean_up_inputs</span></code></a>(atoms, vasp_flags)</p></td>
+<td><p>Parses the inputs and makes sure some things are straightened out.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.oc.utils.vasp.calculate_surface_k_points" title="data.oc.utils.vasp.calculate_surface_k_points"><code class="xref py py-obj docutils literal notranslate"><span class="pre">calculate_surface_k_points</span></code></a>(atoms)</p></td>
+<td><p>For surface calculations, it's a good practice to calculate the k-point</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.oc.utils.vasp.write_vasp_input_files" title="data.oc.utils.vasp.write_vasp_input_files"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_vasp_input_files</span></code></a>(atoms[, outdir, vasp_flags])</p></td>
+<td><p>Effectively goes through the same motions as the <cite>run_vasp</cite> function,</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="data.oc.utils.vasp.__author__">
 <span class="sig-prename descclassname"><span class="pre">data.oc.utils.vasp.</span></span><span class="sig-name descname"><span class="pre">__author__</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'Kevin</span> <span class="pre">Tran'</span></em><a class="headerlink" href="#data.oc.utils.vasp.__author__" title="Link to this definition">#</a></dt>
@@ -753,7 +760,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -784,7 +790,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -793,7 +799,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils.flag_anomaly</span></code></p>
+        <p class="prev-next-title">data.oc.utils.flag_anomaly</p>
       </div>
     </a>
     <a class="right-next"
@@ -801,7 +807,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.structure_generator</span></code></p>
+        <p class="prev-next-title">data.oc.structure_generator</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -821,18 +827,16 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
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-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.binned_average"><code class="docutils literal notranslate"><span class="pre">binned_average()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.bin_plot"><code class="docutils literal notranslate"><span class="pre">bin_plot()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4a"><code class="docutils literal notranslate"><span class="pre">get_Fig4a()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4b"><code class="docutils literal notranslate"><span class="pre">get_Fig4b()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4c"><code class="docutils literal notranslate"><span class="pre">get_Fig4c()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4d"><code class="docutils literal notranslate"><span class="pre">get_Fig4d()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.phys_err"><code class="docutils literal notranslate"><span class="pre">phys_err()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.chem_err"><code class="docutils literal notranslate"><span class="pre">chem_err()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.infile"><code class="docutils literal notranslate"><span class="pre">infile</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.binned_average"><code class="docutils literal notranslate"><span class="pre">binned_average()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.bin_plot"><code class="docutils literal notranslate"><span class="pre">bin_plot()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4a"><code class="docutils literal notranslate"><span class="pre">get_Fig4a()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4b"><code class="docutils literal notranslate"><span class="pre">get_Fig4b()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4c"><code class="docutils literal notranslate"><span class="pre">get_Fig4c()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4d"><code class="docutils literal notranslate"><span class="pre">get_Fig4d()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.phys_err"><code class="docutils literal notranslate"><span class="pre">phys_err()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.chem_err"><code class="docutils literal notranslate"><span class="pre">chem_err()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.infile"><code class="docutils literal notranslate"><span class="pre">infile</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -640,12 +644,21 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.odac.force_field.FF_analysis">
-<span id="data-odac-force-field-ff-analysis"></span><h1><a class="reference internal" href="#module-data.odac.force_field.FF_analysis" title="data.odac.force_field.FF_analysis"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.odac.force_field.FF_analysis</span></code></a><a class="headerlink" href="#module-data.odac.force_field.FF_analysis" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-odac-force-field-ff-analysis"></span><h1>data.odac.force_field.FF_analysis<a class="headerlink" href="#module-data.odac.force_field.FF_analysis" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.force_field.FF_analysis.infile" title="data.odac.force_field.FF_analysis.infile"><code class="xref py py-obj docutils literal notranslate"><span class="pre">infile</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.force_field.FF_analysis.get_data" title="data.odac.force_field.FF_analysis.get_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_data</span></code></a>(infile[, limit])</p></td>
 <td><p></p></td>
@@ -676,16 +689,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.force_field.FF_analysis.infile" title="data.odac.force_field.FF_analysis.infile"><code class="xref py py-obj docutils literal notranslate"><span class="pre">infile</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.odac.force_field.FF_analysis.get_data">
 <span class="sig-prename descclassname"><span class="pre">data.odac.force_field.FF_analysis.</span></span><span class="sig-name descname"><span class="pre">get_data</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">infile</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">limit</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">2</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.odac.force_field.FF_analysis.get_data" title="Link to this definition">#</a></dt>
@@ -736,7 +743,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 <span class="sig-prename descclassname"><span class="pre">data.odac.force_field.FF_analysis.</span></span><span class="sig-name descname"><span class="pre">infile</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'/storage/home/hcoda1/8/lbrabson3/p-amedford6-0/s2ef/final/data_w_oms.json'</span></em><a class="headerlink" href="#data.odac.force_field.FF_analysis.infile" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -767,7 +773,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -786,21 +792,19 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.binned_average"><code class="docutils literal notranslate"><span class="pre">binned_average()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.bin_plot"><code class="docutils literal notranslate"><span class="pre">bin_plot()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4a"><code class="docutils literal notranslate"><span class="pre">get_Fig4a()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4b"><code class="docutils literal notranslate"><span class="pre">get_Fig4b()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4c"><code class="docutils literal notranslate"><span class="pre">get_Fig4c()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4d"><code class="docutils literal notranslate"><span class="pre">get_Fig4d()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.phys_err"><code class="docutils literal notranslate"><span class="pre">phys_err()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.chem_err"><code class="docutils literal notranslate"><span class="pre">chem_err()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.infile"><code class="docutils literal notranslate"><span class="pre">infile</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_data"><code class="docutils literal notranslate"><span class="pre">get_data()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.binned_average"><code class="docutils literal notranslate"><span class="pre">binned_average()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.bin_plot"><code class="docutils literal notranslate"><span class="pre">bin_plot()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4a"><code class="docutils literal notranslate"><span class="pre">get_Fig4a()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4b"><code class="docutils literal notranslate"><span class="pre">get_Fig4b()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4c"><code class="docutils literal notranslate"><span class="pre">get_Fig4c()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.get_Fig4d"><code class="docutils literal notranslate"><span class="pre">get_Fig4d()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.phys_err"><code class="docutils literal notranslate"><span class="pre">phys_err()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.chem_err"><code class="docutils literal notranslate"><span class="pre">chem_err()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.force_field.FF_analysis.infile"><code class="docutils literal notranslate"><span class="pre">infile</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+</button></div>
       
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+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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 <script>
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   </button>
 `);
 </script>
-
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <span class="fa-solid fa-list"></span>
+</button>
 </div></div>
       
     </div>
@@ -604,6 +612,14 @@ <h1>data.odac</h1>
     <div id="print-main-content">
         <div id="jb-print-toc">
             
+            <div>
+                <h2> Contents </h2>
+            </div>
+            <nav aria-label="Page">
+                <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+</ul>
+            </nav>
         </div>
     </div>
 </div>
@@ -614,7 +630,15 @@ <h1>data.odac</h1>
                 <article class="bd-article">
                   
   <section id="module-data.odac">
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+<span id="data-odac"></span><h1>data.odac<a class="headerlink" href="#module-data.odac" title="Link to this heading">#</a></h1>
+<section id="submodules">
+<h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
+<div class="toctree-wrapper compound">
+<ul>
+<li class="toctree-l1"><a class="reference internal" href="setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</div>
+</section>
 </section>
 
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+                <footer class="prev-next-footer d-print-none">
                   
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@@ -653,15 +677,15 @@ <h1>data.odac</h1>
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.structure_generator</span></code></p>
+        <p class="prev-next-title">data.oc.structure_generator</p>
       </div>
     </a>
     <a class="right-next"
-       href="../om/index.html"
+       href="setup_vasp/index.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></p>
+        <p class="prev-next-title">data.odac.setup_vasp</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -672,7 +696,20 @@ <h1>data.odac</h1>
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
+                <div class="bd-sidebar-secondary bd-toc"><div class="sidebar-secondary-items sidebar-secondary__inner">
+
+
+  <div class="sidebar-secondary-item">
+  <div class="page-toc tocsection onthispage">
+    <i class="fa-solid fa-list"></i> Contents
+  </div>
+  <nav class="bd-toc-nav page-toc">
+    <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+</ul>
+  </nav></div>
+
+</div></div>
               
             
           </div>
@@ -717,8 +754,8 @@ <h1>data.odac</h1>
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-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
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diff --git a/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html b/autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html
index 2879f4744..2eba63ae5 100644
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+    <script src="../../../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../../../../_static/design-tabs.js?v=f930bc37"></script>
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@@ -70,27 +70,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
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   <input type="checkbox"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -112,8 +108,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.promising_mof.promising_mof_energies.energy.raw_ads_energy_data"><code class="docutils literal notranslate"><span class="pre">raw_ads_energy_data</span></code></a></li>
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+<span id="data-odac-promising-mof-promising-mof-energies-energy"></span><h1>data.odac.promising_mof.promising_mof_energies.energy<a class="headerlink" href="#module-data.odac.promising_mof.promising_mof_energies.energy" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.raw_ads_energy_data" title="data.odac.promising_mof.promising_mof_energies.energy.raw_ads_energy_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">raw_ads_energy_data</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id0" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.temp_split_string" title="data.odac.promising_mof.promising_mof_energies.energy.temp_split_string"><code class="xref py py-obj docutils literal notranslate"><span class="pre">temp_split_string</span></code></a></p></td>
+<td><p></p></td>
+</tr>
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+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id1" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data_merged_pristine</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id1" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data_merged_pristine</span></code></a></p></td>
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+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_co2" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_pristine_co2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data_merged_pristine_co2</span></code></a></p></td>
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+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data_merged_defective_co_ads</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads_2" title="data.odac.promising_mof.promising_mof_energies.energy.complete_data_merged_defective_co_ads_2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">complete_data_merged_defective_co_ads_2</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co2</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_h2o</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co_ads</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co_ads_2</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id12" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.count" title="data.odac.promising_mof.promising_mof_energies.energy.count"><code class="xref py py-obj docutils literal notranslate"><span class="pre">count</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2_defective" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co2_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co2_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o_defective" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_h2o_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_h2o_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_defective" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co_ads_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2_defective" title="data.odac.promising_mof.promising_mof_energies.energy.lowest_energy_data_co_ads_2_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">lowest_energy_data_co_ads_2_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id9" title="data.odac.promising_mof.promising_mof_energies.energy.current_entry"><code class="xref py py-obj docutils literal notranslate"><span class="pre">current_entry</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id13" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.unique_combinations_count" title="data.odac.promising_mof.promising_mof_energies.energy.unique_combinations_count"><code class="xref py py-obj docutils literal notranslate"><span class="pre">unique_combinations_count</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.def_counts_df" title="data.odac.promising_mof.promising_mof_energies.energy.def_counts_df"><code class="xref py py-obj docutils literal notranslate"><span class="pre">def_counts_df</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.mof_name" title="data.odac.promising_mof.promising_mof_energies.energy.mof_name"><code class="xref py py-obj docutils literal notranslate"><span class="pre">mof_name</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC" title="data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC"><code class="xref py py-obj docutils literal notranslate"><span class="pre">missing_DDEC</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_pristine" title="data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_pristine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">missing_DDEC_pristine</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_defective" title="data.odac.promising_mof.promising_mof_energies.energy.missing_DDEC_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">missing_DDEC_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_pristine" title="data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_pristine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">index_drop_ddec_pristine</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id12" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_defective" title="data.odac.promising_mof.promising_mof_energies.energy.index_drop_ddec_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">index_drop_ddec_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id13" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#id12" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#id13" title="data.odac.promising_mof.promising_mof_energies.energy.adsorption_data_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">adsorption_data_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.promising_pristine" title="data.odac.promising_mof.promising_mof_energies.energy.promising_pristine"><code class="xref py py-obj docutils literal notranslate"><span class="pre">promising_pristine</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.promising_mof.promising_mof_energies.energy.promising_defective" title="data.odac.promising_mof.promising_mof_energies.energy.promising_defective"><code class="xref py py-obj docutils literal notranslate"><span class="pre">promising_defective</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -953,7 +1115,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -972,6 +1134,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.promising_mof.promising_mof_energies.energy.raw_ads_energy_data"><code class="docutils literal notranslate"><span class="pre">raw_ads_energy_data</span></code></a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.promising_mof.promising_mof_energies.energy.complete_data"><code class="docutils literal notranslate"><span class="pre">complete_data</span></code></a></li>
@@ -1072,8 +1235,8 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
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+  <script src="../../../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/data/odac/setup_vasp/index.html b/autoapi/data/odac/setup_vasp/index.html
new file mode 100644
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--- /dev/null
+++ b/autoapi/data/odac/setup_vasp/index.html
@@ -0,0 +1,815 @@
+
+<!DOCTYPE html>
+
+
+<html lang="en" data-content_root="../../../../" >
+
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+    <meta name="viewport" content="width=device-width, initial-scale=1.0" /><meta name="viewport" content="width=device-width, initial-scale=1" />
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <script>DOCUMENTATION_OPTIONS.pagename = 'autoapi/data/odac/setup_vasp/index';</script>
+    <link rel="index" title="Index" href="../../../../genindex.html" />
+    <link rel="search" title="Search" href="../../../../search.html" />
+    <link rel="next" title="data.om" href="../../om/index.html" />
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+  <meta name="viewport" content="width=device-width, initial-scale=1"/>
+  <meta name="docsearch:language" content="en"/>
+  </head>
+  
+  
+  <body data-bs-spy="scroll" data-bs-target=".bd-toc-nav" data-offset="180" data-bs-root-margin="0px 0px -60%" data-default-mode="">
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+    <h1>data.odac.setup_vasp</h1>
+    <!-- Table of contents -->
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+            
+            <div>
+                <h2> Contents </h2>
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+                <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.setup_vasp_calc_mof"><code class="docutils literal notranslate"><span class="pre">setup_vasp_calc_mof()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.setup_vasp_mof_and_ads"><code class="docutils literal notranslate"><span class="pre">setup_vasp_mof_and_ads()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.mof"><code class="docutils literal notranslate"><span class="pre">mof</span></code></a></li>
+</ul>
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+                  
+  <section id="module-data.odac.setup_vasp">
+<span id="data-odac-setup-vasp"></span><h1>data.odac.setup_vasp<a class="headerlink" href="#module-data.odac.setup_vasp" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.setup_vasp.mof" title="data.odac.setup_vasp.mof"><code class="xref py py-obj docutils literal notranslate"><span class="pre">mof</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.odac.setup_vasp.setup_vasp_calc_mof" title="data.odac.setup_vasp.setup_vasp_calc_mof"><code class="xref py py-obj docutils literal notranslate"><span class="pre">setup_vasp_calc_mof</span></code></a>(atoms, path)</p></td>
+<td><p>Create a VASP calculator for MOF relaxation and write VASP input files to path.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#data.odac.setup_vasp.setup_vasp_mof_and_ads" title="data.odac.setup_vasp.setup_vasp_mof_and_ads"><code class="xref py py-obj docutils literal notranslate"><span class="pre">setup_vasp_mof_and_ads</span></code></a>(atoms, path)</p></td>
+<td><p>Create a VASP calculator for MOF + Adsorbate(s) relaxation and write VASP input files to path.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<dl class="py function">
+<dt class="sig sig-object py" id="data.odac.setup_vasp.setup_vasp_calc_mof">
+<span class="sig-prename descclassname"><span class="pre">data.odac.setup_vasp.</span></span><span class="sig-name descname"><span class="pre">setup_vasp_calc_mof</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">pathlib.Path</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.odac.setup_vasp.setup_vasp_calc_mof" title="Link to this definition">#</a></dt>
+<dd><p>Create a VASP calculator for MOF relaxation and write VASP input files to path.</p>
+</dd></dl>
+
+<dl class="py function">
+<dt class="sig sig-object py" id="data.odac.setup_vasp.setup_vasp_mof_and_ads">
+<span class="sig-prename descclassname"><span class="pre">data.odac.setup_vasp.</span></span><span class="sig-name descname"><span class="pre">setup_vasp_mof_and_ads</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">ase.Atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">path</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">pathlib.Path</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.odac.setup_vasp.setup_vasp_mof_and_ads" title="Link to this definition">#</a></dt>
+<dd><p>Create a VASP calculator for MOF + Adsorbate(s) relaxation and write VASP input files to path.
+For these relaxations, the MOF has already been pre-relaxed.</p>
+</dd></dl>
+
+<dl class="py data">
+<dt class="sig sig-object py" id="data.odac.setup_vasp.mof">
+<span class="sig-prename descclassname"><span class="pre">data.odac.setup_vasp.</span></span><span class="sig-name descname"><span class="pre">mof</span></span><a class="headerlink" href="#data.odac.setup_vasp.mof" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
+</section>
+</section>
+
+    <script type="text/x-thebe-config">
+    {
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.setup_vasp_calc_mof"><code class="docutils literal notranslate"><span class="pre">setup_vasp_calc_mof()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.setup_vasp_mof_and_ads"><code class="docutils literal notranslate"><span class="pre">setup_vasp_mof_and_ads()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.odac.setup_vasp.mof"><code class="docutils literal notranslate"><span class="pre">mof</span></code></a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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 `);
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,13 +617,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.sample_geom_drugs.write_pickle"><code class="docutils literal notranslate"><span class="pre">write_pickle()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.sample_geom_drugs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
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-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.sample_geom_drugs.write_pickle"><code class="docutils literal notranslate"><span class="pre">write_pickle()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.sample_geom_drugs.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.sample_geom_drugs.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -632,12 +636,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.om.biomolecules.geom.sample_geom_drugs">
-<span id="data-om-biomolecules-geom-sample-geom-drugs"></span><h1><a class="reference internal" href="#module-data.om.biomolecules.geom.sample_geom_drugs" title="data.om.biomolecules.geom.sample_geom_drugs"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om.biomolecules.geom.sample_geom_drugs</span></code></a><a class="headerlink" href="#module-data.om.biomolecules.geom.sample_geom_drugs" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-om-biomolecules-geom-sample-geom-drugs"></span><h1>data.om.biomolecules.geom.sample_geom_drugs<a class="headerlink" href="#module-data.om.biomolecules.geom.sample_geom_drugs" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
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+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
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@@ -611,12 +617,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.write_geom_drugs_structures.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
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   <section id="module-data.om.biomolecules.geom.write_geom_drugs_structures">
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-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-om-biomolecules-geom-write-geom-drugs-structures"></span><h1>data.om.biomolecules.geom.write_geom_drugs_structures<a class="headerlink" href="#module-data.om.biomolecules.geom.write_geom_drugs_structures" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.om.biomolecules.geom.write_geom_drugs_structures.parse_args" title="data.om.biomolecules.geom.write_geom_drugs_structures.parse_args"><code class="xref py py-obj docutils literal notranslate"><span class="pre">parse_args</span></code></a>()</p></td>
 <td><p></p></td>
@@ -646,6 +648,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
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 <dl class="py function">
 <dt class="sig sig-object py" id="data.om.biomolecules.geom.write_geom_drugs_structures.parse_args">
 <span class="sig-prename descclassname"><span class="pre">data.om.biomolecules.geom.write_geom_drugs_structures.</span></span><span class="sig-name descname"><span class="pre">parse_args</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#data.om.biomolecules.geom.write_geom_drugs_structures.parse_args" title="Link to this definition">#</a></dt>
@@ -656,7 +662,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <span class="sig-prename descclassname"><span class="pre">data.om.biomolecules.geom.write_geom_drugs_structures.</span></span><span class="sig-name descname"><span class="pre">main</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#data.om.biomolecules.geom.write_geom_drugs_structures.main" title="Link to this definition">#</a></dt>
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   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.write_geom_drugs_structures.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
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-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.write_geom_drugs_structures.parse_args"><code class="docutils literal notranslate"><span class="pre">parse_args()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.biomolecules.geom.write_geom_drugs_structures.main"><code class="docutils literal notranslate"><span class="pre">main()</span></code></a></li>
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     <script async="async" src="../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -61,8 +61,8 @@
     <script>DOCUMENTATION_OPTIONS.pagename = 'autoapi/data/om/index';</script>
     <link rel="index" title="Index" href="../../../genindex.html" />
     <link rel="search" title="Search" href="../../../search.html" />
-    <link rel="next" title="cattsunami" href="../../cattsunami/index.html" />
-    <link rel="prev" title="data.odac" href="../odac/index.html" />
+    <link rel="next" title="ocpapi" href="../../ocpapi/index.html" />
+    <link rel="prev" title="data.odac.setup_vasp" href="../odac/setup_vasp/index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l3 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html">ocpapi.version</a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,7 +589,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -614,7 +620,7 @@ <h1>data.om</h1>
                 <article class="bd-article">
                   
   <section id="module-data.om">
-<span id="data-om"></span><h1><a class="reference internal" href="#module-data.om" title="data.om"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a><a class="headerlink" href="#module-data.om" title="Link to this heading">#</a></h1>
+<span id="data-om"></span><h1>data.om<a class="headerlink" href="#module-data.om" title="Link to this heading">#</a></h1>
 </section>
 
     <script type="text/x-thebe-config">
@@ -644,24 +650,24 @@ <h1>data.om</h1>
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="../odac/index.html"
+       href="../odac/setup_vasp/index.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.odac</span></code></p>
+        <p class="prev-next-title">data.odac.setup_vasp</p>
       </div>
     </a>
     <a class="right-next"
-       href="../../cattsunami/index.html"
+       href="../../ocpapi/index.html"
        title="next page">
       <div class="prev-next-info">
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@@ -429,7 +435,7 @@
 
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@@ -438,14 +444,14 @@
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@@ -609,18 +615,16 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_FUNCTIONAL"><code class="docutils literal notranslate"><span class="pre">ORCA_FUNCTIONAL</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_ASE_SIMPLE_INPUT"><code class="docutils literal notranslate"><span class="pre">ORCA_ASE_SIMPLE_INPUT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.OPT_PARAMETERS"><code class="docutils literal notranslate"><span class="pre">OPT_PARAMETERS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.write_orca_inputs"><code class="docutils literal notranslate"><span class="pre">write_orca_inputs()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_FUNCTIONAL"><code class="docutils literal notranslate"><span class="pre">ORCA_FUNCTIONAL</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_BASIS"><code class="docutils literal notranslate"><span class="pre">ORCA_BASIS</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_BLOCKS"><code class="docutils literal notranslate"><span class="pre">ORCA_BLOCKS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_ASE_SIMPLE_INPUT"><code class="docutils literal notranslate"><span class="pre">ORCA_ASE_SIMPLE_INPUT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.OPT_PARAMETERS"><code class="docutils literal notranslate"><span class="pre">OPT_PARAMETERS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.write_orca_inputs"><code class="docutils literal notranslate"><span class="pre">write_orca_inputs()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -635,22 +639,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.om.omdata.orca.calc">
-<span id="data-om-omdata-orca-calc"></span><h1><a class="reference internal" href="#module-data.om.omdata.orca.calc" title="data.om.omdata.orca.calc"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om.omdata.orca.calc</span></code></a><a class="headerlink" href="#module-data.om.omdata.orca.calc" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
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-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
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-<tr class="row-odd"><td><p><a class="reference internal" href="#data.om.omdata.orca.calc.write_orca_inputs" title="data.om.omdata.orca.calc.write_orca_inputs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_orca_inputs</span></code></a>(atoms, output_directory[, charge, ...])</p></td>
-<td><p>One-off method to be used if you wanted to write inputs for an arbitrary</p></td>
-</tr>
-</tbody>
-</table>
-</section>
+<span id="data-om-omdata-orca-calc"></span><h1>data.om.omdata.orca.calc<a class="headerlink" href="#module-data.om.omdata.orca.calc" title="Link to this heading">#</a></h1>
 <section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.om.omdata.orca.calc.ORCA_FUNCTIONAL" title="data.om.omdata.orca.calc.ORCA_FUNCTIONAL"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ORCA_FUNCTIONAL</span></code></a></p></td>
 <td><p></p></td>
@@ -672,6 +664,21 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#data.om.omdata.orca.calc.write_orca_inputs" title="data.om.omdata.orca.calc.write_orca_inputs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">write_orca_inputs</span></code></a>(atoms, output_directory[, charge, ...])</p></td>
+<td><p>One-off method to be used if you wanted to write inputs for an arbitrary</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="data.om.omdata.orca.calc.ORCA_FUNCTIONAL">
 <span class="sig-prename descclassname"><span class="pre">data.om.omdata.orca.calc.</span></span><span class="sig-name descname"><span class="pre">ORCA_FUNCTIONAL</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'wB97M-V'</span></em><a class="headerlink" href="#data.om.omdata.orca.calc.ORCA_FUNCTIONAL" title="Link to this definition">#</a></dt>
@@ -709,7 +716,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 system. Primarily used for debugging.</p>
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   <nav class="bd-toc-nav page-toc">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.write_orca_inputs"><code class="docutils literal notranslate"><span class="pre">write_orca_inputs()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_FUNCTIONAL"><code class="docutils literal notranslate"><span class="pre">ORCA_FUNCTIONAL</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_BASIS"><code class="docutils literal notranslate"><span class="pre">ORCA_BASIS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_SIMPLE_INPUT"><code class="docutils literal notranslate"><span class="pre">ORCA_SIMPLE_INPUT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_BLOCKS"><code class="docutils literal notranslate"><span class="pre">ORCA_BLOCKS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.ORCA_ASE_SIMPLE_INPUT"><code class="docutils literal notranslate"><span class="pre">ORCA_ASE_SIMPLE_INPUT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.OPT_PARAMETERS"><code class="docutils literal notranslate"><span class="pre">OPT_PARAMETERS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.calc.write_orca_inputs"><code class="docutils literal notranslate"><span class="pre">write_orca_inputs()</span></code></a></li>
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@@ -624,13 +630,13 @@ <h2> Contents </h2>
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+<span id="data-om-omdata-orca"></span><h1>data.om.omdata.orca<a class="headerlink" href="#module-data.om.omdata.orca" title="Link to this heading">#</a></h1>
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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index 46981ad4b..2e0e6c043 100644
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
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+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -240,7 +243,7 @@
 
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -429,7 +435,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -438,14 +444,14 @@
           <div class="bd-content">
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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@@ -570,10 +576,10 @@
 
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@@ -581,14 +587,14 @@
 
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 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -609,12 +615,10 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.single_point_calculation"><code class="docutils literal notranslate"><span class="pre">single_point_calculation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.ase_relaxation"><code class="docutils literal notranslate"><span class="pre">ase_relaxation()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.single_point_calculation"><code class="docutils literal notranslate"><span class="pre">single_point_calculation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.ase_relaxation"><code class="docutils literal notranslate"><span class="pre">ase_relaxation()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -629,12 +633,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-data.om.omdata.orca.recipes">
-<span id="data-om-omdata-orca-recipes"></span><h1><a class="reference internal" href="#module-data.om.omdata.orca.recipes" title="data.om.omdata.orca.recipes"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om.omdata.orca.recipes</span></code></a><a class="headerlink" href="#module-data.om.omdata.orca.recipes" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="data-om-omdata-orca-recipes"></span><h1>data.om.omdata.orca.recipes<a class="headerlink" href="#module-data.om.omdata.orca.recipes" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#data.om.omdata.orca.recipes.single_point_calculation" title="data.om.omdata.orca.recipes.single_point_calculation"><code class="xref py py-obj docutils literal notranslate"><span class="pre">single_point_calculation</span></code></a>(atoms, charge, spin_multiplicity)</p></td>
 <td><p>Wrapper around QUACC's static job to standardize single-point calculations.</p></td>
@@ -644,6 +646,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="data.om.omdata.orca.recipes.single_point_calculation">
 <span class="sig-prename descclassname"><span class="pre">data.om.omdata.orca.recipes.</span></span><span class="sig-name descname"><span class="pre">single_point_calculation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">atoms</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">charge</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">spin_multiplicity</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">xc</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">ORCA_FUNCTIONAL</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">basis</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">ORCA_BASIS</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">orcasimpleinput</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">orcablocks</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nprocs</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">12</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">outputdir</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">os.getcwd()</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">calc_kwargs</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#data.om.omdata.orca.recipes.single_point_calculation" title="Link to this definition">#</a></dt>
@@ -693,7 +699,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -724,7 +729,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
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@@ -743,12 +748,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.single_point_calculation"><code class="docutils literal notranslate"><span class="pre">single_point_calculation()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.ase_relaxation"><code class="docutils literal notranslate"><span class="pre">ase_relaxation()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.single_point_calculation"><code class="docutils literal notranslate"><span class="pre">single_point_calculation()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data.om.omdata.orca.recipes.ase_relaxation"><code class="docutils literal notranslate"><span class="pre">ase_relaxation()</span></code></a></li>
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@@ -799,8 +802,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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diff --git a/autoapi/index.html b/autoapi/index.html
index bab87628c..5650f3693 100644
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+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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           class="sidebar-toggle"
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+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -116,8 +112,13 @@
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 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
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@@ -620,252 +626,255 @@ <h1>API Reference<a class="headerlink" href="#api-reference" title="Link to this
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-<li class="toctree-l4"><a class="reference internal" href="core/datasets/embeddings/atomic_radii/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings.atomic_radii</span></code></a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/common/utils/index.html">core.common.utils</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/equiformer_v2/index.html">core.models.equiformer_v2</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/trainers/index.html">core.models.equiformer_v2.trainers</a><ul>
+<li class="toctree-l5"><a class="reference internal" href="core/models/equiformer_v2/trainers/energy_trainer/index.html">core.models.equiformer_v2.trainers.energy_trainer</a></li>
+<li class="toctree-l5"><a class="reference internal" href="core/models/equiformer_v2/trainers/forces_trainer/index.html">core.models.equiformer_v2.trainers.forces_trainer</a></li>
+<li class="toctree-l5"><a class="reference internal" href="core/models/equiformer_v2/trainers/lr_scheduler/index.html">core.models.equiformer_v2.trainers.lr_scheduler</a></li>
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+</li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/activation/index.html">core.models.equiformer_v2.activation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/drop/index.html">core.models.equiformer_v2.drop</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/edge_rot_mat/index.html">core.models.equiformer_v2.edge_rot_mat</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/equiformer_v2_oc20/index.html">core.models.equiformer_v2.equiformer_v2_oc20</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/gaussian_rbf/index.html">core.models.equiformer_v2.gaussian_rbf</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/input_block/index.html">core.models.equiformer_v2.input_block</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/layer_norm/index.html">core.models.equiformer_v2.layer_norm</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/module_list/index.html">core.models.equiformer_v2.module_list</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/radial_function/index.html">core.models.equiformer_v2.radial_function</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/so2_ops/index.html">core.models.equiformer_v2.so2_ops</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/so3/index.html">core.models.equiformer_v2.so3</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/transformer_block/index.html">core.models.equiformer_v2.transformer_block</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/equiformer_v2/wigner/index.html">core.models.equiformer_v2.wigner</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/escn/index.html">core.models.escn</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/models/escn/escn/index.html">core.models.escn.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/escn/so3/index.html">core.models.escn.so3</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/gemnet/index.html">core.models.gemnet</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet/layers/index.html">core.models.gemnet.layers</a><ul>
+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet/layers/atom_update_block/index.html">core.models.gemnet.layers.atom_update_block</a></li>
+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet/layers/base_layers/index.html">core.models.gemnet.layers.base_layers</a></li>
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+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet/layers/interaction_block/index.html">core.models.gemnet.layers.interaction_block</a></li>
+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet/layers/radial_basis/index.html">core.models.gemnet.layers.radial_basis</a></li>
+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet/layers/spherical_basis/index.html">core.models.gemnet.layers.spherical_basis</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet/gemnet/index.html">core.models.gemnet.gemnet</a></li>
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 </ul>
 </li>
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+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_gp/gemnet/index.html">core.models.gemnet_gp.gemnet</a></li>
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 </ul>
 </li>
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+<li class="toctree-l5"><a class="reference internal" href="core/models/gemnet_oc/layers/spherical_basis/index.html">core.models.gemnet_oc.layers.spherical_basis</a></li>
 </ul>
 </li>
-<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_oc/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc.gemnet_oc</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_oc/gemnet_oc/index.html">core.models.gemnet_oc.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_oc/initializers/index.html">core.models.gemnet_oc.initializers</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_oc/interaction_indices/index.html">core.models.gemnet_oc.interaction_indices</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/gemnet_oc/utils/index.html">core.models.gemnet_oc.utils</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/painn/index.html">core.models.painn</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/models/painn/painn/index.html">core.models.painn.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/painn/utils/index.html">core.models.painn.utils</a></li>
 </ul>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/scn/index.html">core.models.scn</a><ul>
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+<li class="toctree-l4"><a class="reference internal" href="core/models/scn/smearing/index.html">core.models.scn.smearing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/models/scn/spherical_harmonics/index.html">core.models.scn.spherical_harmonics</a></li>
 </ul>
 </li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/utils/index.html">core.models.utils</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/models/utils/activations/index.html">core.models.utils.activations</a></li>
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-<li class="toctree-l3"><a class="reference internal" href="core/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/models/base/index.html">core.models.base</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/models/schnet/index.html">core.models.schnet</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/modules/scaling/index.html">core.modules.scaling</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/modules/scaling/compat/index.html">core.modules.scaling.compat</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/modules/scaling/fit/index.html">core.modules.scaling.fit</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/modules/scaling/scale_factor/index.html">core.modules.scaling.scale_factor</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/modules/scaling/util/index.html">core.modules.scaling.util</a></li>
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-<li class="toctree-l3"><a class="reference internal" href="core/modules/evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
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+<li class="toctree-l3"><a class="reference internal" href="core/modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l3"><a class="reference internal" href="core/modules/transforms/index.html">core.modules.transforms</a></li>
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-<li class="toctree-l2"><a class="reference internal" href="core/preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><ul>
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+<li class="toctree-l2"><a class="reference internal" href="core/preprocessing/index.html">core.preprocessing</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
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 </li>
-<li class="toctree-l2"><a class="reference internal" href="core/scripts/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts</span></code></a><ul>
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+<li class="toctree-l2"><a class="reference internal" href="core/scripts/index.html">core.scripts</a><ul>
+<li class="toctree-l3"><a class="reference internal" href="core/scripts/hpo/index.html">core.scripts.hpo</a><ul>
+<li class="toctree-l4"><a class="reference internal" href="core/scripts/hpo/run_tune/index.html">core.scripts.hpo.run_tune</a></li>
+<li class="toctree-l4"><a class="reference internal" href="core/scripts/hpo/run_tune_pbt/index.html">core.scripts.hpo.run_tune_pbt</a></li>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></p>
+        <p class="prev-next-title">core</p>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,28 +617,27 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -649,18 +654,37 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.client.client">
-<span id="ocpapi-client-client"></span><h1><a class="reference internal" href="#module-ocpapi.client.client" title="ocpapi.client.client"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a><a class="headerlink" href="#module-ocpapi.client.client" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="ocpapi-client-client"></span><h1>ocpapi.client.client<a class="headerlink" href="#module-ocpapi.client.client" title="Link to this heading">#</a></h1>
+<section id="exceptions">
+<h2>Exceptions<a class="headerlink" href="#exceptions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.client.RequestException" title="ocpapi.client.client.RequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RequestException</span></code></a></p></td>
+<td><p>Exception raised any time there is an error while making an API call.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.client.client.NonRetryableRequestException" title="ocpapi.client.client.NonRetryableRequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected for a reason that will</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.client.RateLimitExceededException" title="ocpapi.client.client.RateLimitExceededException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected because a rate limit has</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.client.Client" title="ocpapi.client.client.Client"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Client</span></code></a></p></td>
 <td><p>Exposes each route in the OCP API as a method.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py exception">
 <dt class="sig sig-object py" id="ocpapi.client.client.RequestException">
 <em class="property"><span class="pre">exception</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">ocpapi.client.client.</span></span><span class="sig-name descname"><span class="pre">RequestException</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">method</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">url</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cause</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#ocpapi.client.client.RequestException" title="Link to this definition">#</a></dt>
@@ -964,7 +988,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
 </dd></dl>
 
-</section>
 </section>
 </section>
 
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-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1004,7 +1027,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></p>
+        <p class="prev-next-title">ocpapi.client</p>
       </div>
     </a>
     <a class="right-next"
@@ -1012,7 +1035,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></p>
+        <p class="prev-next-title">ocpapi.client.models</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1032,28 +1055,27 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1106,8 +1128,8 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/autoapi/ocpapi/client/index.html b/autoapi/ocpapi/client/index.html
index 6208f65fb..ec4f3a305 100644
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-<link href="../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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@@ -251,8 +254,8 @@
 
 
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,127 +618,126 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -747,22 +752,37 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.client">
-<span id="ocpapi-client"></span><h1><a class="reference internal" href="#module-ocpapi.client" title="ocpapi.client"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><a class="headerlink" href="#module-ocpapi.client" title="Link to this heading">#</a></h1>
+<span id="ocpapi-client"></span><h1>ocpapi.client<a class="headerlink" href="#module-ocpapi.client" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l1"><a class="reference internal" href="models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l1"><a class="reference internal" href="ui/index.html">ocpapi.client.ui</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
+<section id="exceptions">
+<h2>Exceptions<a class="headerlink" href="#exceptions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.NonRetryableRequestException" title="ocpapi.client.NonRetryableRequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected for a reason that will</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.client.RateLimitExceededException" title="ocpapi.client.RateLimitExceededException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected because a rate limit has</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.RequestException" title="ocpapi.client.RequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RequestException</span></code></a></p></td>
+<td><p>Exception raised any time there is an error while making an API call.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.Client" title="ocpapi.client.Client"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Client</span></code></a></p></td>
 <td><p>Exposes each route in the OCP API as a method.</p></td>
@@ -814,16 +834,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.get_results_ui_url" title="ocpapi.client.get_results_ui_url"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_results_ui_url</span></code></a>(→ Optional[str])</p></td>
 <td><p>Generates the URL at which results for the input system can be</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="ocpapi.client.Client">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">ocpapi.client.</span></span><span class="sig-name descname"><span class="pre">Client</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">host</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'open-catalyst-api.metademolab.com'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">scheme</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'https'</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#ocpapi.client.Client" title="Link to this definition">#</a></dt>
@@ -1594,7 +1619,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1625,7 +1649,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1634,7 +1658,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></p>
+        <p class="prev-next-title">ocpapi</p>
       </div>
     </a>
     <a class="right-next"
@@ -1642,7 +1666,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></p>
+        <p class="prev-next-title">ocpapi.client.client</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1663,127 +1687,126 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1834,8 +1857,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,107 +617,105 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel"><code class="docutils literal notranslate"><span class="pre">_DataModel</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel.other_fields"><code class="docutils literal notranslate"><span class="pre">_DataModel.other_fields</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel"><code class="docutils literal notranslate"><span class="pre">_DataModel</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel.other_fields"><code class="docutils literal notranslate"><span class="pre">_DataModel.other_fields</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -728,12 +732,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.client.models">
-<span id="ocpapi-client-models"></span><h1><a class="reference internal" href="#module-ocpapi.client.models" title="ocpapi.client.models"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a><a class="headerlink" href="#module-ocpapi.client.models" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="ocpapi-client-models"></span><h1>ocpapi.client.models<a class="headerlink" href="#module-ocpapi.client.models" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.models._DataModel" title="ocpapi.client.models._DataModel"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_DataModel</span></code></a></p></td>
 <td><p>Base class for all data models.</p></td>
@@ -785,6 +787,10 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="ocpapi.client.models._DataModel">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">ocpapi.client.models.</span></span><span class="sig-name descname"><span class="pre">_DataModel</span></span><a class="headerlink" href="#ocpapi.client.models._DataModel" title="Link to this definition">#</a></dt>
@@ -1246,7 +1252,6 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 
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-</section>
 </section>
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@@ -1277,7 +1282,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1286,7 +1291,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></p>
+        <p class="prev-next-title">ocpapi.client.client</p>
       </div>
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@@ -1294,7 +1299,7 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></p>
+        <p class="prev-next-title">ocpapi.client.ui</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
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@@ -1314,107 +1319,105 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel"><code class="docutils literal notranslate"><span class="pre">_DataModel</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel.other_fields"><code class="docutils literal notranslate"><span class="pre">_DataModel.other_fields</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel"><code class="docutils literal notranslate"><span class="pre">_DataModel</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models._DataModel.other_fields"><code class="docutils literal notranslate"><span class="pre">_DataModel.other_fields</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.models.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
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 </form></div>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html">ocpapi</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">ocpapi.client</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,13 +617,11 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui._API_TO_UI_HOSTS"><code class="docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui._API_TO_UI_HOSTS"><code class="docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -632,28 +636,31 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.client.ui">
-<span id="ocpapi-client-ui"></span><h1><a class="reference internal" href="#module-ocpapi.client.ui" title="ocpapi.client.ui"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a><a class="headerlink" href="#module-ocpapi.client.ui" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
-<section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<span id="ocpapi-client-ui"></span><h1>ocpapi.client.ui<a class="headerlink" href="#module-ocpapi.client.ui" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.ui.get_results_ui_url" title="ocpapi.client.ui.get_results_ui_url"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_results_ui_url</span></code></a>(→ Optional[str])</p></td>
-<td><p>Generates the URL at which results for the input system can be</p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.ui._API_TO_UI_HOSTS" title="ocpapi.client.ui._API_TO_UI_HOSTS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></p></td>
+<td><p></p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<section id="functions">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.ui._API_TO_UI_HOSTS" title="ocpapi.client.ui._API_TO_UI_HOSTS"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.client.ui.get_results_ui_url" title="ocpapi.client.ui.get_results_ui_url"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_results_ui_url</span></code></a>(→ Optional[str])</p></td>
+<td><p>Generates the URL at which results for the input system can be</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="ocpapi.client.ui._API_TO_UI_HOSTS">
 <span class="sig-prename descclassname"><span class="pre">ocpapi.client.ui.</span></span><span class="sig-name descname"><span class="pre">_API_TO_UI_HOSTS</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">Dict</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span></em><a class="headerlink" href="#ocpapi.client.ui._API_TO_UI_HOSTS" title="Link to this definition">#</a></dt>
@@ -678,7 +685,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -709,7 +715,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -718,7 +724,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></p>
+        <p class="prev-next-title">ocpapi.client.models</p>
       </div>
     </a>
     <a class="right-next"
@@ -726,7 +732,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -746,13 +752,11 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui._API_TO_UI_HOSTS"><code class="docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui._API_TO_UI_HOSTS"><code class="docutils literal notranslate"><span class="pre">_API_TO_UI_HOSTS</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.client.ui.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -803,8 +807,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/ocpapi/index.html b/autoapi/ocpapi/index.html
index a4dea9dcd..d2bc63214 100644
--- a/autoapi/ocpapi/index.html
+++ b/autoapi/ocpapi/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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   <!-- Loaded before other Sphinx assets -->
-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -62,7 +62,7 @@
     <link rel="index" title="Index" href="../../genindex.html" />
     <link rel="search" title="Search" href="../../search.html" />
     <link rel="next" title="ocpapi.client" href="client/index.html" />
-    <link rel="prev" title="cattsunami.databases" href="../cattsunami/databases/index.html" />
+    <link rel="prev" title="data.om" href="../data/om/index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="current nav bd-sidenav">
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-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
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-</li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
-</ul>
-</li>
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-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="../index.html">API Reference</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l2 has-children"><a class="reference internal" href="../core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/relaxation/index.html">core.common.relaxation</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/common/utils/index.html">core.common.utils</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/models/index.html">core.models</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/escn/index.html">core.models.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="current reference internal" href="#">ocpapi</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -613,177 +619,176 @@ <h2> Contents </h2>
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -798,7 +803,7 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi">
-<span id="ocpapi"></span><h1><a class="reference internal" href="#module-ocpapi" title="ocpapi"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><a class="headerlink" href="#module-ocpapi" title="Link to this heading">#</a></h1>
+<span id="ocpapi"></span><h1>ocpapi<a class="headerlink" href="#module-ocpapi" title="Link to this heading">#</a></h1>
 <p>Copyright (c) Meta, Inc. and its affiliates.</p>
 <p>This source code is licensed under the MIT license found in the
 LICENSE file in the root directory of this source tree.</p>
@@ -806,20 +811,8 @@ <h2> Contents </h2>
 <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l1"><a class="reference internal" href="workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><ul>
-<li class="toctree-l2"><a class="reference internal" href="workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l2"><a class="reference internal" href="workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
-</ul>
-</li>
+<li class="toctree-l1"><a class="reference internal" href="client/index.html">ocpapi.client</a></li>
+<li class="toctree-l1"><a class="reference internal" href="workflows/index.html">ocpapi.workflows</a></li>
 </ul>
 </div>
 </section>
@@ -827,15 +820,56 @@ <h2>Subpackages<a class="headerlink" href="#subpackages" title="Link to this hea
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="version/index.html">ocpapi.version</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.__version__" title="ocpapi.__version__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__version__</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.NO_LIMIT" title="ocpapi.NO_LIMIT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.NoLimitType" title="ocpapi.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="exceptions">
+<h2>Exceptions<a class="headerlink" href="#exceptions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.NonRetryableRequestException" title="ocpapi.NonRetryableRequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected for a reason that will</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.RateLimitExceededException" title="ocpapi.RateLimitExceededException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a></p></td>
+<td><p>Exception raised when an API call is rejected because a rate limit has</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.RequestException" title="ocpapi.RequestException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RequestException</span></code></a></p></td>
+<td><p>Exception raised any time there is an error while making an API call.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.UnsupportedAdsorbateException" title="ocpapi.UnsupportedAdsorbateException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></p></td>
+<td><p>Exception raised when an adsorbate is not supported in the API.</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.UnsupportedBulkException" title="ocpapi.UnsupportedBulkException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></p></td>
+<td><p>Exception raised when a bulk material is not supported in the API.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.UnsupportedModelException" title="ocpapi.UnsupportedModelException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></p></td>
+<td><p>Exception raised when a model is not supported in the API.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.Client" title="ocpapi.Client"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Client</span></code></a></p></td>
 <td><p>Exposes each route in the OCP API as a method.</p></td>
@@ -908,10 +942,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.get_results_ui_url" title="ocpapi.get_results_ui_url"><code class="xref py py-obj docutils literal notranslate"><span class="pre">get_results_ui_url</span></code></a>(→ Optional[str])</p></td>
 <td><p>Generates the URL at which results for the input system can be</p></td>
@@ -930,22 +965,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.__version__" title="ocpapi.__version__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__version__</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.NO_LIMIT" title="ocpapi.NO_LIMIT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.NoLimitType" title="ocpapi.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="ocpapi.__version__">
 <span class="sig-prename descclassname"><span class="pre">ocpapi.</span></span><span class="sig-name descname"><span class="pre">__version__</span></span><a class="headerlink" href="#ocpapi.__version__" title="Link to this definition">#</a></dt>
@@ -2042,7 +2065,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -2073,16 +2095,16 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="../cattsunami/databases/index.html"
+       href="../data/om/index.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></p>
+        <p class="prev-next-title">data.om</p>
       </div>
     </a>
     <a class="right-next"
@@ -2090,7 +2112,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></p>
+        <p class="prev-next-title">ocpapi.client</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -2112,177 +2134,176 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#subpackages">Subpackages</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.__version__"><code class="docutils literal notranslate"><span class="pre">__version__</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client"><code class="docutils literal notranslate"><span class="pre">Client</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.host"><code class="docutils literal notranslate"><span class="pre">Client.host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_models"><code class="docutils literal notranslate"><span class="pre">Client.get_models()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_bulks"><code class="docutils literal notranslate"><span class="pre">Client.get_bulks()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbates"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbates()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_slabs"><code class="docutils literal notranslate"><span class="pre">Client.get_slabs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_configs"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_configs()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.submit_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.submit_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_request"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_request()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.get_adsorbate_slab_relaxations_results"><code class="docutils literal notranslate"><span class="pre">Client.get_adsorbate_slab_relaxations_results()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client.delete_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">Client.delete_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Client._run_request"><code class="docutils literal notranslate"><span class="pre">Client._run_request()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NonRetryableRequestException"><code class="docutils literal notranslate"><span class="pre">NonRetryableRequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitExceededException.retry_after"><code class="docutils literal notranslate"><span class="pre">RateLimitExceededException.retry_after</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RequestException"><code class="docutils literal notranslate"><span class="pre">RequestException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates"><code class="docutils literal notranslate"><span class="pre">Adsorbates</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Adsorbates.adsorbates_supported"><code class="docutils literal notranslate"><span class="pre">Adsorbates.adsorbates_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabConfigs.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabConfigs.slab</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.config_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.config_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.status"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.status</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.cell"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.pbc"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.numbers"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.positions"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.tags"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.energy_trajectory"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.energy_trajectory</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.forces"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.forces</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationResult.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationResult.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.ephemeral"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.ephemeral</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsRequest.adsorbate_reaction"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsRequest.adsorbate_reaction</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsResults.omitted_config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsResults.omitted_config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxationsSystem.config_ids"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxationsSystem.config_ids</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms"><code class="docutils literal notranslate"><span class="pre">Atoms</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.cell"><code class="docutils literal notranslate"><span class="pre">Atoms.cell</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.pbc"><code class="docutils literal notranslate"><span class="pre">Atoms.pbc</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.numbers"><code class="docutils literal notranslate"><span class="pre">Atoms.numbers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.positions"><code class="docutils literal notranslate"><span class="pre">Atoms.positions</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.tags"><code class="docutils literal notranslate"><span class="pre">Atoms.tags</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Atoms.to_ase_atoms"><code class="docutils literal notranslate"><span class="pre">Atoms.to_ase_atoms()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk"><code class="docutils literal notranslate"><span class="pre">Bulk</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.src_id"><code class="docutils literal notranslate"><span class="pre">Bulk.src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.formula"><code class="docutils literal notranslate"><span class="pre">Bulk.formula</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulk.elements"><code class="docutils literal notranslate"><span class="pre">Bulk.elements</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks"><code class="docutils literal notranslate"><span class="pre">Bulks</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Bulks.bulks_supported"><code class="docutils literal notranslate"><span class="pre">Bulks.bulks_supported</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model"><code class="docutils literal notranslate"><span class="pre">Model</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Model.id"><code class="docutils literal notranslate"><span class="pre">Model.id</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models"><code class="docutils literal notranslate"><span class="pre">Models</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Models.models"><code class="docutils literal notranslate"><span class="pre">Models.models</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab"><code class="docutils literal notranslate"><span class="pre">Slab</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.atoms"><code class="docutils literal notranslate"><span class="pre">Slab.atoms</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slab.metadata"><code class="docutils literal notranslate"><span class="pre">Slab.metadata</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata"><code class="docutils literal notranslate"><span class="pre">SlabMetadata</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.bulk_src_id"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.bulk_src_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.millers"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.millers</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.shift"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.shift</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.SlabMetadata.top"><code class="docutils literal notranslate"><span class="pre">SlabMetadata.top</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs"><code class="docutils literal notranslate"><span class="pre">Slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Slabs.slabs"><code class="docutils literal notranslate"><span class="pre">Slabs.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status"><code class="docutils literal notranslate"><span class="pre">Status</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.NOT_AVAILABLE"><code class="docutils literal notranslate"><span class="pre">Status.NOT_AVAILABLE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.FAILED_RELAXATION"><code class="docutils literal notranslate"><span class="pre">Status.FAILED_RELAXATION</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.SUCCESS"><code class="docutils literal notranslate"><span class="pre">Status.SUCCESS</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.DOES_NOT_EXIST"><code class="docutils literal notranslate"><span class="pre">Status.DOES_NOT_EXIST</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Status.__str__"><code class="docutils literal notranslate"><span class="pre">Status.__str__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_results_ui_url"><code class="docutils literal notranslate"><span class="pre">get_results_ui_url()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -2333,8 +2354,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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diff --git a/autoapi/ocpapi/version/index.html b/autoapi/ocpapi/version/index.html
index 0157c6855..4a0b1e3ef 100644
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-    <link rel="stylesheet" type="text/css" href="../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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-    <script src="../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../../../_static/design-tabs.js?v=f930bc37"></script>
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     <link rel="search" title="Search" href="../../../search.html" />
-    <link rel="next" title="Notebook execution times" href="../../../execution_time.html" />
+    <link rel="next" title="cattsunami" href="../../cattsunami/index.html" />
     <link rel="prev" title="ocpapi.workflows.retry" href="../workflows/retry/index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
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@@ -72,27 +72,23 @@
 
   
   
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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-          name="__primary"
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+          id="pst-primary-sidebar-checkbox"/>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
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@@ -154,7 +157,7 @@
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../index.html">ocpapi</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 has-children"><a class="reference internal" href="../client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 current active"><a class="current reference internal" href="#">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.version.VERSION"><code class="docutils literal notranslate"><span class="pre">VERSION</span></code></a></li>
 </ul>
@@ -627,7 +634,18 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.version">
-<span id="ocpapi-version"></span><h1><a class="reference internal" href="#module-ocpapi.version" title="ocpapi.version"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a><a class="headerlink" href="#module-ocpapi.version" title="Link to this heading">#</a></h1>
+<span id="ocpapi-version"></span><h1>ocpapi.version<a class="headerlink" href="#module-ocpapi.version" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.version.VERSION" title="ocpapi.version.VERSION"><code class="xref py py-obj docutils literal notranslate"><span class="pre">VERSION</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -665,7 +683,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -674,15 +692,15 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.retry</p>
       </div>
     </a>
     <a class="right-next"
-       href="../../../execution_time.html"
+       href="../../cattsunami/index.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">Notebook execution times</p>
+        <p class="prev-next-title">cattsunami</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -702,6 +720,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.version.VERSION"><code class="docutils literal notranslate"><span class="pre">VERSION</span></code></a></li>
 </ul>
@@ -754,8 +773,8 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/ocpapi/workflows/adsorbates/index.html b/autoapi/ocpapi/workflows/adsorbates/index.html
index a4aed3357..5c0bed037 100644
--- a/autoapi/ocpapi/workflows/adsorbates/index.html
+++ b/autoapi/ocpapi/workflows/adsorbates/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 </script>
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+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
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     </div>
@@ -611,59 +617,58 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._setup_log_record_factory"><code class="docutils literal notranslate"><span class="pre">_setup_log_record_factory()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbatesException"><code class="docutils literal notranslate"><span class="pre">AdsorbatesException</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_SLAB"><code class="docutils literal notranslate"><span class="pre">_CTX_SLAB</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._setup_log_record_factory"><code class="docutils literal notranslate"><span class="pre">_setup_log_record_factory()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbatesException"><code class="docutils literal notranslate"><span class="pre">AdsorbatesException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_model_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_model_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_bulk_if_supported"><code class="docutils literal notranslate"><span class="pre">_get_bulk_if_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_adsorbate_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_adsorbate_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_slabs"><code class="docutils literal notranslate"><span class="pre">_get_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab_with_logging"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab_with_logging()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_adsorbate_configs_on_slabs"><code class="docutils literal notranslate"><span class="pre">_get_adsorbate_configs_on_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations_with_progress_logging"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations_with_progress_logging()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._delete_system"><code class="docutils literal notranslate"><span class="pre">_delete_system()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_system_deleted"><code class="docutils literal notranslate"><span class="pre">_ensure_system_deleted()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._run_relaxations_on_slab"><code class="docutils literal notranslate"><span class="pre">_run_relaxations_on_slab()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._refresh_pbar"><code class="docutils literal notranslate"><span class="pre">_refresh_pbar()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._relax_binding_sites_on_slabs"><code class="docutils literal notranslate"><span class="pre">_relax_binding_sites_on_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_model_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_model_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_bulk_if_supported"><code class="docutils literal notranslate"><span class="pre">_get_bulk_if_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_adsorbate_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_adsorbate_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_slabs"><code class="docutils literal notranslate"><span class="pre">_get_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab_with_logging"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab_with_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_adsorbate_configs_on_slabs"><code class="docutils literal notranslate"><span class="pre">_get_adsorbate_configs_on_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations_with_progress_logging"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations_with_progress_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._delete_system"><code class="docutils literal notranslate"><span class="pre">_delete_system()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_system_deleted"><code class="docutils literal notranslate"><span class="pre">_ensure_system_deleted()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._run_relaxations_on_slab"><code class="docutils literal notranslate"><span class="pre">_run_relaxations_on_slab()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._refresh_pbar"><code class="docutils literal notranslate"><span class="pre">_refresh_pbar()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._relax_binding_sites_on_slabs"><code class="docutils literal notranslate"><span class="pre">_relax_binding_sites_on_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -678,12 +683,50 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.workflows.adsorbates">
-<span id="ocpapi-workflows-adsorbates"></span><h1><a class="reference internal" href="#module-ocpapi.workflows.adsorbates" title="ocpapi.workflows.adsorbates"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a><a class="headerlink" href="#module-ocpapi.workflows.adsorbates" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="ocpapi-workflows-adsorbates"></span><h1>ocpapi.workflows.adsorbates<a class="headerlink" href="#module-ocpapi.workflows.adsorbates" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK" title="ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._CTX_SLAB" title="ocpapi.workflows.adsorbates._CTX_SLAB"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_CTX_SLAB</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT" title="ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER" title="ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="exceptions">
+<h2>Exceptions<a class="headerlink" href="#exceptions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.AdsorbatesException" title="ocpapi.workflows.adsorbates.AdsorbatesException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AdsorbatesException</span></code></a></p></td>
+<td><p>Base exception for all others in this module.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.UnsupportedModelException" title="ocpapi.workflows.adsorbates.UnsupportedModelException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></p></td>
+<td><p>Exception raised when a model is not supported in the API.</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.UnsupportedBulkException" title="ocpapi.workflows.adsorbates.UnsupportedBulkException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></p></td>
+<td><p>Exception raised when a bulk material is not supported in the API.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.UnsupportedAdsorbateException" title="ocpapi.workflows.adsorbates.UnsupportedAdsorbateException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></p></td>
+<td><p>Exception raised when an adsorbate is not supported in the API.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.Lifetime" title="ocpapi.workflows.adsorbates.Lifetime"><code class="xref py py-obj docutils literal notranslate"><span class="pre">Lifetime</span></code></a></p></td>
 <td><p>Represents different lifetimes when running relaxations.</p></td>
@@ -696,10 +739,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._setup_log_record_factory" title="ocpapi.workflows.adsorbates._setup_log_record_factory"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_setup_log_record_factory</span></code></a>(→ None)</p></td>
 <td><p>Adds a log record factory that stores information about the currently</p></td>
@@ -757,25 +801,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK" title="ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._CTX_SLAB" title="ocpapi.workflows.adsorbates._CTX_SLAB"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_CTX_SLAB</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT" title="ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER" title="ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="xref py py-obj docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
 <dt class="sig sig-object py" id="ocpapi.workflows.adsorbates._CTX_AD_BULK">
 <span class="sig-prename descclassname"><span class="pre">ocpapi.workflows.adsorbates.</span></span><span class="sig-name descname"><span class="pre">_CTX_AD_BULK</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">contextvars.ContextVar</span><span class="p"><span class="pre">[</span></span><span class="pre">Tuple</span><span class="p"><span class="pre">[</span></span><span class="pre">str</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">str</span><span class="p"><span class="pre">]</span></span><span class="p"><span class="pre">]</span></span></em><a class="headerlink" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK" title="Link to this definition">#</a></dt>
@@ -1281,7 +1310,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1312,7 +1340,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1321,7 +1349,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows</p>
       </div>
     </a>
     <a class="right-next"
@@ -1329,7 +1357,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.context</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1349,59 +1377,58 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_SLAB"><code class="docutils literal notranslate"><span class="pre">_CTX_SLAB</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._setup_log_record_factory"><code class="docutils literal notranslate"><span class="pre">_setup_log_record_factory()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbatesException"><code class="docutils literal notranslate"><span class="pre">AdsorbatesException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_AD_BULK"><code class="docutils literal notranslate"><span class="pre">_CTX_AD_BULK</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._CTX_SLAB"><code class="docutils literal notranslate"><span class="pre">_CTX_SLAB</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._setup_log_record_factory"><code class="docutils literal notranslate"><span class="pre">_setup_log_record_factory()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.DEFAULT_CLIENT"><code class="docutils literal notranslate"><span class="pre">DEFAULT_CLIENT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbatesException"><code class="docutils literal notranslate"><span class="pre">AdsorbatesException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_model_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_model_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_bulk_if_supported"><code class="docutils literal notranslate"><span class="pre">_get_bulk_if_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_adsorbate_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_adsorbate_supported()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_slabs"><code class="docutils literal notranslate"><span class="pre">_get_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab_with_logging"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab_with_logging()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_adsorbate_configs_on_slabs"><code class="docutils literal notranslate"><span class="pre">_get_adsorbate_configs_on_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations_with_progress_logging"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations_with_progress_logging()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._delete_system"><code class="docutils literal notranslate"><span class="pre">_delete_system()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_system_deleted"><code class="docutils literal notranslate"><span class="pre">_ensure_system_deleted()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._run_relaxations_on_slab"><code class="docutils literal notranslate"><span class="pre">_run_relaxations_on_slab()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._refresh_pbar"><code class="docutils literal notranslate"><span class="pre">_refresh_pbar()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._relax_binding_sites_on_slabs"><code class="docutils literal notranslate"><span class="pre">_relax_binding_sites_on_slabs()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_model_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_model_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_bulk_if_supported"><code class="docutils literal notranslate"><span class="pre">_get_bulk_if_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._ensure_adsorbate_supported"><code class="docutils literal notranslate"><span class="pre">_ensure_adsorbate_supported()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_slabs"><code class="docutils literal notranslate"><span class="pre">_get_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_absorbate_configs_on_slab_with_logging"><code class="docutils literal notranslate"><span class="pre">_get_absorbate_configs_on_slab_with_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._get_adsorbate_configs_on_slabs"><code class="docutils literal notranslate"><span class="pre">_get_adsorbate_configs_on_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._submit_relaxations_with_progress_logging"><code class="docutils literal notranslate"><span class="pre">_submit_relaxations_with_progress_logging()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._delete_system"><code class="docutils literal notranslate"><span class="pre">_delete_system()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._run_relaxations_on_slab"><code class="docutils literal notranslate"><span class="pre">_run_relaxations_on_slab()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._refresh_pbar"><code class="docutils literal notranslate"><span class="pre">_refresh_pbar()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._relax_binding_sites_on_slabs"><code class="docutils literal notranslate"><span class="pre">_relax_binding_sites_on_slabs()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates._DEFAULT_ADSLAB_FILTER"><code class="docutils literal notranslate"><span class="pre">_DEFAULT_ADSLAB_FILTER</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.adsorbates.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
 </ul>
 </li>
 </ul>
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index ee80d64fa..0cbffc6a6 100644
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -262,8 +265,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html">ocpapi</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">ocpapi.workflows</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,11 +617,9 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.context.set_context_var"><code class="docutils literal notranslate"><span class="pre">set_context_var()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.context.set_context_var"><code class="docutils literal notranslate"><span class="pre">set_context_var()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -630,18 +634,20 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.workflows.context">
-<span id="ocpapi-workflows-context"></span><h1><a class="reference internal" href="#module-ocpapi.workflows.context" title="ocpapi.workflows.context"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a><a class="headerlink" href="#module-ocpapi.workflows.context" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="ocpapi-workflows-context"></span><h1>ocpapi.workflows.context<a class="headerlink" href="#module-ocpapi.workflows.context" title="Link to this heading">#</a></h1>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.context.set_context_var" title="ocpapi.workflows.context.set_context_var"><code class="xref py py-obj docutils literal notranslate"><span class="pre">set_context_var</span></code></a>(→ Generator[None, None, None])</p></td>
 <td><p>Sets the input convext variable to the input value and yields control</p></td>
 </tr>
 </tbody>
 </table>
+</div>
+</section>
+<section id="module-contents">
+<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py function">
 <dt class="sig sig-object py" id="ocpapi.workflows.context.set_context_var">
 <span class="sig-prename descclassname"><span class="pre">ocpapi.workflows.context.</span></span><span class="sig-name descname"><span class="pre">set_context_var</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">context_var</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">contextvars.ContextVar</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">value</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Any</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">Generator</span><span class="p"><span class="pre">[</span></span><span class="pre">None</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">None</span><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="pre">None</span><span class="p"><span class="pre">]</span></span></span></span><a class="headerlink" href="#ocpapi.workflows.context.set_context_var" title="Link to this definition">#</a></dt>
@@ -658,7 +664,6 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -689,7 +694,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -698,7 +703,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.adsorbates</p>
       </div>
     </a>
     <a class="right-next"
@@ -706,7 +711,7 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.filter</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -726,11 +731,9 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.context.set_context_var"><code class="docutils literal notranslate"><span class="pre">set_context_var()</span></code></a></li>
-</ul>
-</li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.context.set_context_var"><code class="docutils literal notranslate"><span class="pre">set_context_var()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -781,8 +784,8 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/autoapi/ocpapi/workflows/filter/index.html b/autoapi/ocpapi/workflows/filter/index.html
index 4513a43c4..720e6e433 100644
--- a/autoapi/ocpapi/workflows/filter/index.html
+++ b/autoapi/ocpapi/workflows/filter/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../../../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../../../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../../../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../../../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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@@ -251,8 +254,8 @@
 
 
 </ul>
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+</details></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../context/index.html">ocpapi.workflows.context</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,21 +617,19 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
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@@ -642,12 +646,10 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.workflows.filter">
-<span id="ocpapi-workflows-filter"></span><h1><a class="reference internal" href="#module-ocpapi.workflows.filter" title="ocpapi.workflows.filter"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a><a class="headerlink" href="#module-ocpapi.workflows.filter" title="Link to this heading">#</a></h1>
-<section id="module-contents">
-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
+<span id="ocpapi-workflows-filter"></span><h1>ocpapi.workflows.filter<a class="headerlink" href="#module-ocpapi.workflows.filter" title="Link to this heading">#</a></h1>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
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 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.filter.keep_all_slabs" title="ocpapi.workflows.filter.keep_all_slabs"><code class="xref py py-obj docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a></p></td>
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 </tr>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.context</p>
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+        <p class="prev-next-title">ocpapi.workflows.log</p>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
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+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.filter.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
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diff --git a/autoapi/ocpapi/workflows/index.html b/autoapi/ocpapi/workflows/index.html
index 567e75849..9fd6046c9 100644
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+</details></li>
+<li class="toctree-l3 current active has-children"><a class="current reference internal" href="#">ocpapi.workflows</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
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-<li class="toctree-l4"><a class="reference internal" href="retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -612,60 +618,59 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -680,24 +685,53 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.workflows">
-<span id="ocpapi-workflows"></span><h1><a class="reference internal" href="#module-ocpapi.workflows" title="ocpapi.workflows"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><a class="headerlink" href="#module-ocpapi.workflows" title="Link to this heading">#</a></h1>
+<span id="ocpapi-workflows"></span><h1>ocpapi.workflows<a class="headerlink" href="#module-ocpapi.workflows" title="Link to this heading">#</a></h1>
 <section id="submodules">
 <h2>Submodules<a class="headerlink" href="#submodules" title="Link to this heading">#</a></h2>
 <div class="toctree-wrapper compound">
 <ul>
-<li class="toctree-l1"><a class="reference internal" href="adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l1"><a class="reference internal" href="retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+<li class="toctree-l1"><a class="reference internal" href="adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l1"><a class="reference internal" href="context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l1"><a class="reference internal" href="filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l1"><a class="reference internal" href="log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l1"><a class="reference internal" href="retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
 </div>
 </section>
-<section id="package-contents">
-<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.NO_LIMIT" title="ocpapi.workflows.NO_LIMIT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.NoLimitType" title="ocpapi.workflows.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
+<section id="exceptions">
+<h2>Exceptions<a class="headerlink" href="#exceptions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.UnsupportedAdsorbateException" title="ocpapi.workflows.UnsupportedAdsorbateException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></p></td>
+<td><p>Exception raised when an adsorbate is not supported in the API.</p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.UnsupportedBulkException" title="ocpapi.workflows.UnsupportedBulkException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></p></td>
+<td><p>Exception raised when a bulk material is not supported in the API.</p></td>
+</tr>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.UnsupportedModelException" title="ocpapi.workflows.UnsupportedModelException"><code class="xref py py-obj docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></p></td>
+<td><p>Exception raised when a model is not supported in the API.</p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="classes">
-<h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Classes<a class="headerlink" href="#classes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.AdsorbateBindingSites" title="ocpapi.workflows.AdsorbateBindingSites"><code class="xref py py-obj docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a></p></td>
 <td><p>Stores the inputs and results of a set of relaxations of adsorbate</p></td>
@@ -722,10 +756,11 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.find_adsorbate_binding_sites" title="ocpapi.workflows.find_adsorbate_binding_sites"><code class="xref py py-obj docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites</span></code></a>(→ AdsorbateBindingSites)</p></td>
 <td><p>Search for adsorbate binding sites on surfaces of a bulk material.</p></td>
@@ -741,19 +776,10 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 </tr>
 </tbody>
 </table>
+</div>
 </section>
-<section id="attributes">
-<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
-<tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.NO_LIMIT" title="ocpapi.workflows.NO_LIMIT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.NoLimitType" title="ocpapi.workflows.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
-<td><p></p></td>
-</tr>
-</tbody>
-</table>
+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="ocpapi.workflows.AdsorbateBindingSites">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">ocpapi.workflows.</span></span><span class="sig-name descname"><span class="pre">AdsorbateBindingSites</span></span><a class="headerlink" href="#ocpapi.workflows.AdsorbateBindingSites" title="Link to this definition">#</a></dt>
@@ -1075,7 +1101,6 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
 </dl>
 </dd></dl>
 
-</section>
 </section>
 </section>
 
@@ -1106,7 +1131,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1115,7 +1140,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></p>
+        <p class="prev-next-title">ocpapi.client.ui</p>
       </div>
     </a>
     <a class="right-next"
@@ -1123,7 +1148,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.adsorbates</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -1144,60 +1169,59 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#exceptions">Exceptions</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.adsorbate"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.adsorbate</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.bulk"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.bulk</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.model"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.model</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateBindingSites.slabs"><code class="docutils literal notranslate"><span class="pre">AdsorbateBindingSites.slabs</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.slab"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.slab</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.configs"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.configs</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.system_id"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.system_id</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.api_host"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.api_host</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.AdsorbateSlabRelaxations.ui_url"><code class="docutils literal notranslate"><span class="pre">AdsorbateSlabRelaxations.ui_url</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime"><code class="docutils literal notranslate"><span class="pre">Lifetime</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.SAVE"><code class="docutils literal notranslate"><span class="pre">Lifetime.SAVE</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.MARK_EPHEMERAL"><code class="docutils literal notranslate"><span class="pre">Lifetime.MARK_EPHEMERAL</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.Lifetime.DELETE"><code class="docutils literal notranslate"><span class="pre">Lifetime.DELETE</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedAdsorbateException"><code class="docutils literal notranslate"><span class="pre">UnsupportedAdsorbateException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedBulkException"><code class="docutils literal notranslate"><span class="pre">UnsupportedBulkException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.UnsupportedModelException"><code class="docutils literal notranslate"><span class="pre">UnsupportedModelException</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.find_adsorbate_binding_sites"><code class="docutils literal notranslate"><span class="pre">find_adsorbate_binding_sites()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.get_adsorbate_slab_relaxation_results"><code class="docutils literal notranslate"><span class="pre">get_adsorbate_slab_relaxation_results()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.wait_for_adsorbate_slab_relaxations"><code class="docutils literal notranslate"><span class="pre">wait_for_adsorbate_slab_relaxations()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_all_slabs.__call__"><code class="docutils literal notranslate"><span class="pre">keep_all_slabs.__call__()</span></code></a></li>
 </ul>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.keep_slabs_with_miller_indices.__call__"><code class="docutils literal notranslate"><span class="pre">keep_slabs_with_miller_indices.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep._sort_key"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep._sort_key()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.prompt_for_slabs_to_keep.__call__"><code class="docutils literal notranslate"><span class="pre">prompt_for_slabs_to_keep.__call__()</span></code></a></li>
 </ul>
 </li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -1248,8 +1272,8 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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diff --git a/autoapi/ocpapi/workflows/log/index.html b/autoapi/ocpapi/workflows/log/index.html
index 72f602c9a..1bac63614 100644
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+  <link href="../../../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
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+    <script src="../../../../_static/design-tabs.js?v=f930bc37"></script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
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-          id="__primary"/>
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   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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+    
+  
 
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../../client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</ul>
+</details></li>
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html">ocpapi.workflows</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../context/index.html">ocpapi.workflows.context</a></li>
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+<li class="toctree-l4 current active"><a class="current reference internal" href="#">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
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+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -611,6 +617,7 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.log.log"><code class="docutils literal notranslate"><span class="pre">log</span></code></a></li>
 </ul>
@@ -627,7 +634,18 @@ <h2> Contents </h2>
                 <article class="bd-article">
                   
   <section id="module-ocpapi.workflows.log">
-<span id="ocpapi-workflows-log"></span><h1><a class="reference internal" href="#module-ocpapi.workflows.log" title="ocpapi.workflows.log"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a><a class="headerlink" href="#module-ocpapi.workflows.log" title="Link to this heading">#</a></h1>
+<span id="ocpapi-workflows-log"></span><h1>ocpapi.workflows.log<a class="headerlink" href="#module-ocpapi.workflows.log" title="Link to this heading">#</a></h1>
+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.log.log" title="ocpapi.workflows.log.log"><code class="xref py py-obj docutils literal notranslate"><span class="pre">log</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</div>
+</section>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <dl class="py data">
@@ -665,7 +683,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -674,7 +692,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.filter</p>
       </div>
     </a>
     <a class="right-next"
@@ -682,7 +700,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.retry</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -702,6 +720,7 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.log.log"><code class="docutils literal notranslate"><span class="pre">log</span></code></a></li>
 </ul>
@@ -754,8 +773,8 @@ <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
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 </form></div>
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 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../../cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../../cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../../cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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+<li class="toctree-l3"><a class="reference internal" href="../../../cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
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@@ -440,14 +446,14 @@
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@@ -611,24 +617,22 @@ <h2> Contents </h2>
             </div>
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                 <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after</span></code></a><ul class="nav section-nav flex-column">
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+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after.__call__"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after.__call__()</span></code></a></li>
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-<h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
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+<section id="attributes">
+<h2>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.retry.NoLimitType" title="ocpapi.workflows.retry.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
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+<tr class="row-even"><td><p><a class="reference internal" href="#ocpapi.workflows.retry.NO_LIMIT" title="ocpapi.workflows.retry.NO_LIMIT"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></p></td>
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+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.retry.RateLimitLogging" title="ocpapi.workflows.retry.RateLimitLogging"><code class="xref py py-obj docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a></p></td>
 <td><p>Controls logging when rate limits are hit.</p></td>
@@ -658,29 +674,21 @@ <h3>Classes<a class="headerlink" href="#classes" title="Link to this heading">#<
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="functions">
-<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
-<table class="autosummary longtable table autosummary">
+<h2>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h2>
+<div class="pst-scrollable-table-container"><table class="autosummary longtable table autosummary">
 <tbody>
 <tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.retry.retry_api_calls" title="ocpapi.workflows.retry.retry_api_calls"><code class="xref py py-obj docutils literal notranslate"><span class="pre">retry_api_calls</span></code></a>(→ Any)</p></td>
 <td><p>Decorator with sensible defaults for retrying calls to the OCP API.</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
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-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpapi.workflows.retry.NoLimitType" title="ocpapi.workflows.retry.NoLimitType"><code class="xref py py-obj docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></p></td>
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+                <footer class="prev-next-footer d-print-none">
                   
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@@ -787,7 +794,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></p>
+        <p class="prev-next-title">ocpapi.workflows.log</p>
       </div>
     </a>
     <a class="right-next"
@@ -795,7 +802,7 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></p>
+        <p class="prev-next-title">ocpapi.version</p>
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@@ -815,24 +822,22 @@ <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this headi
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   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#classes">Classes</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after</span></code></a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after.__call__"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after.__call__()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.logger"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.logger</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.RateLimitLogging.action"><code class="docutils literal notranslate"><span class="pre">RateLimitLogging.action</span></code></a></li>
 </ul>
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-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after</span></code></a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry._wait_check_retry_after.__call__"><code class="docutils literal notranslate"><span class="pre">_wait_check_retry_after.__call__()</span></code></a></li>
 </ul>
 </li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.NoLimitType"><code class="docutils literal notranslate"><span class="pre">NoLimitType</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.NO_LIMIT"><code class="docutils literal notranslate"><span class="pre">NO_LIMIT</span></code></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpapi.workflows.retry.retry_api_calls"><code class="docutils literal notranslate"><span class="pre">retry_api_calls()</span></code></a></li>
 </ul>
 </li>
 </ul>
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+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
-</ul>
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-</li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/utils/index.html">core.common.utils</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/schnet/index.html">core.models.schnet</a></li>
+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/tasks/task/index.html">core.tasks.task</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
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+</ul>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -744,7 +750,7 @@ <h3>Multi-structure Files<a class="headerlink" href="#multi-structure-files" tit
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -835,8 +841,8 @@ <h3>Multi-structure Files<a class="headerlink" href="#multi-structure-files" tit
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/datasets/oc20.html b/core/datasets/oc20.html
index 3a633af42..1bb28a4b2 100644
--- a/core/datasets/oc20.html
+++ b/core/datasets/oc20.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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     <link rel="stylesheet" type="text/css" href="../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/logger/index.html">core.common.logger</a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
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 </ul>
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+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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 <script>
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -693,7 +699,7 @@ <h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#struc
 <p>Four datasets are provided for validation set. Each dataset corresponds to a subsplit used to evaluate different types of extrapolation, in domain (id, same distribution as the training dataset), out of domain adsorbate (ood_ads, unseen adsorbate), out of domain catalyst (ood_cat, unseen catalyst composition), and out of domain both (ood_both, unseen adsorbate and catalyst composition).</p>
 <p>For the test sets, we provide precomputed LMDBs for each of the 4 subsplits (In Domain, OOD Adsorbate, OOD Catalyst, OOD Both).</p>
 <p>Each tarball has a README file containing details about file formats, number of structures / trajectories, etc.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -794,6 +800,7 @@ <h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#struc
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">
 <h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h2>
@@ -803,7 +810,7 @@ <h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Rela
 <li><p>underlying ASE relaxation trajectories for the adsorbate+catalyst in the entire training and validation sets for the IS2RE and IS2RS tasks. These are <strong>not</strong> required to download for training ML models, but are available for interested users.</p></li>
 </ul>
 <p>Each tarball has README file containing details about file formats, number of structures / trajectories, etc.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -829,12 +836,13 @@ <h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Rela
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="relaxation-trajectories">
 <h2>Relaxation Trajectories<a class="headerlink" href="#relaxation-trajectories" title="Link to this heading">#</a></h2>
 <section id="adsorbate-catalyst-system-trajectories-optional-download">
 <h3>Adsorbate+catalyst system trajectories (optional download)<a class="headerlink" href="#adsorbate-catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h3>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Split</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -880,6 +888,7 @@ <h3>Adsorbate+catalyst system trajectories (optional download)<a class="headerli
 </tr>
 </tbody>
 </table>
+</div>
 <section id="per-adsorbate-trajectories-optional-download">
 <h4>Per-adsorbate trajectories (optional download)<a class="headerlink" href="#per-adsorbate-trajectories-optional-download" title="Link to this heading">#</a></h4>
 <p>Adsorbate+catalyst trajectories on a per adsorbate basis are provided <a class="reference internal" href="#./DATASET_PER_ADSORBATE.md"><span class="xref myst">here</span></a> to avoid having to download all systems. Note - a few adsorbates are intentionally left out for the test splits.</p>
@@ -887,7 +896,7 @@ <h4>Per-adsorbate trajectories (optional download)<a class="headerlink" href="#p
 </section>
 <section id="catalyst-system-trajectories-optional-download">
 <h3>Catalyst system trajectories (optional download)<a class="headerlink" href="#catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h3>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Number</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -903,6 +912,7 @@ <h3>Catalyst system trajectories (optional download)<a class="headerlink" href="
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 </section>
 <section id="bader-charge-data">
@@ -1089,7 +1099,7 @@ <h2>Citing OC20<a class="headerlink" href="#citing-oc20" title="Link to this hea
 </section>
 <section class="tex2jax_ignore mathjax_ignore" id="per-adsorbate-trajectories">
 <h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-trajectories" title="Link to this heading">#</a></h1>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Adsorbate symbol</p></th>
 <th class="head"><p>Size</p></th>
@@ -1399,6 +1409,7 @@ <h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-traject
 </tr>
 </tbody>
 </table>
+</div>
 <p>Note - A few adsorbates are intentionally left out for the test splits.</p>
 <p>Downloading any of the above and extracting will result in a folder:</p>
 <p><code class="docutils literal notranslate"><span class="pre">&lt;index&gt;/</span></code></p>
@@ -1450,7 +1461,7 @@ <h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-traject
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -1565,8 +1576,8 @@ <h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-traject
   </div>
   
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index 808d13c29..1237ed2b1 100644
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     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -632,7 +638,7 @@ <h2>Overview<a class="headerlink" href="#overview" title="Link to this heading">
 </section>
 <section id="file-contents-and-download">
 <h2>File Contents and Download<a class="headerlink" href="#file-contents-and-download" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -653,6 +659,7 @@ <h2>File Contents and Download<a class="headerlink" href="#file-contents-and-dow
 </tr>
 </tbody>
 </table>
+</div>
 <p>The following files are also provided to be used for evaluation and general information:</p>
 <ul class="simple">
 <li><p><code class="docutils literal notranslate"><span class="pre">oc20dense_mapping.pkl</span></code> : Mapping of the LMDB <code class="docutils literal notranslate"><span class="pre">sid</span></code> to general metadata information -</p>
@@ -712,7 +719,7 @@ <h2>File Contents and Download<a class="headerlink" href="#file-contents-and-dow
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -799,8 +806,8 @@ <h2>File Contents and Download<a class="headerlink" href="#file-contents-and-dow
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/datasets/oc20neb.html b/core/datasets/oc20neb.html
index 7c5b3a9b6..c6a089a15 100644
--- a/core/datasets/oc20neb.html
+++ b/core/datasets/oc20neb.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="../../_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="../../_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="../../_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="../../_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.relaxation</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.data_parallel</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.distutils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.flags</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.gp_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.hpo_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/common/utils/index.html">core.common.utils</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-7" name="toctree-checkbox-7" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-7"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/datasets/lmdb_database/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/datasets/oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -656,7 +662,7 @@ <h2>File Structure and Contents<a class="headerlink" href="#file-structure-and-c
 </section>
 <section id="download">
 <h2>Download<a class="headerlink" href="#download" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -672,6 +678,7 @@ <h2>Download<a class="headerlink" href="#download" title="Link to this heading">
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="use">
 <h2>Use<a class="headerlink" href="#use" title="Link to this heading">#</a></h2>
@@ -728,7 +735,7 @@ <h2>Use<a class="headerlink" href="#use" title="Link to this heading">#</a></h2>
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -817,8 +824,8 @@ <h2>Use<a class="headerlink" href="#use" title="Link to this heading">#</a></h2>
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/datasets/oc22.html b/core/datasets/oc22.html
index 2f47934cb..3859519b6 100644
--- a/core/datasets/oc22.html
+++ b/core/datasets/oc22.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../../_static/styles/sphinx-book-theme.css?v=a3416100" />
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     <link rel="stylesheet" type="text/css" href="../../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../../_static/doctools.js?v=9a2dae69"></script>
     <script src="../../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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   <span class="fa-solid fa-bars"></span>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -641,7 +647,7 @@ <h1>Open Catalyst 2022 (OC22)<a class="headerlink" href="#open-catalyst-2022-oc2
 <section id="structure-to-total-energy-and-forces-s2ef-total-task">
 <h2>Structure to Total Energy and Forces (S2EF-Total) task<a class="headerlink" href="#structure-to-total-energy-and-forces-s2ef-total-task" title="Link to this heading">#</a></h2>
 <p>For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -662,11 +668,12 @@ <h2>Structure to Total Energy and Forces (S2EF-Total) task<a class="headerlink"
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">
 <h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks" title="Link to this heading">#</a></h2>
 <p>For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -687,13 +694,14 @@ <h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Rela
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="relaxation-trajectories">
 <h2>Relaxation Trajectories<a class="headerlink" href="#relaxation-trajectories" title="Link to this heading">#</a></h2>
 <section id="system-trajectories-optional-download">
 <h3>System trajectories (optional download)<a class="headerlink" href="#system-trajectories-optional-download" title="Link to this heading">#</a></h3>
 <p>We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task:</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Number</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -714,6 +722,7 @@ <h3>System trajectories (optional download)<a class="headerlink" href="#system-t
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 </section>
 <section id="oc22-mappings">
@@ -804,7 +813,7 @@ <h2>Citing OC22<a class="headerlink" href="#citing-oc22" title="Link to this hea
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -903,8 +912,8 @@ <h2>Citing OC22<a class="headerlink" href="#citing-oc22" title="Link to this hea
   </div>
   
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-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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index 36854dce4..b89d0dfab 100644
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
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 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
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-<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -631,7 +637,7 @@ <h1>Open Direct Air Capture 2023 (ODAC23)<a class="headerlink" href="#open-direc
 <section id="structure-to-energy-and-forces-s2ef-task">
 <h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#structure-to-energy-and-forces-s2ef-task" title="Link to this heading">#</a></h2>
 <p>We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDbs  are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -652,8 +658,9 @@ <h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#struc
 </tr>
 </tbody>
 </table>
+</div>
 <p>The train and val splits are also available in <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> formats. Each trajectory is in stored in a different <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> file.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -679,11 +686,12 @@ <h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#struc
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">
 <h2>Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h2>
 <p>For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Splits</p></th>
 <th class="head"><p>Size of compressed version (in bytes)</p></th>
@@ -704,11 +712,12 @@ <h2>Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) task
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="ddec-charges">
 <h2>DDEC Charges<a class="headerlink" href="#ddec-charges" title="Link to this heading">#</a></h2>
 <p>We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them.</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Size of compressed version (in bytes)</p></th>
 <th class="head"><p>Size of uncompressed version (in bytes)</p></th>
@@ -726,6 +735,7 @@ <h2>DDEC Charges<a class="headerlink" href="#ddec-charges" title="Link to this h
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="citing-odac23">
 <h2>Citing ODAC23<a class="headerlink" href="#citing-odac23" title="Link to this heading">#</a></h2>
@@ -769,7 +779,7 @@ <h2>Citing ODAC23<a class="headerlink" href="#citing-odac23" title="Link to this
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -858,8 +868,8 @@ <h2>Citing ODAC23<a class="headerlink" href="#citing-odac23" title="Link to this
   </div>
   
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diff --git a/core/fine-tuning/fine-tuning-oxides.html b/core/fine-tuning/fine-tuning-oxides.html
index e723dcf53..5643c5e86 100644
--- a/core/fine-tuning/fine-tuning-oxides.html
+++ b/core/fine-tuning/fine-tuning-oxides.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../../autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
 </ul>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
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-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/data/om/index.html">data.om</a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -820,7 +826,7 @@ <h1>Fine tuning a model<a class="headerlink" href="#fine-tuning-a-model" title="
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time 69.3 seconds.
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time 66.6 seconds.
 </pre></div>
 </div>
 <img alt="../../_images/779c250f6bf7aaa03eef896ef1541e648ebf742911fe25095bde7b712d7234d4.png" src="../../_images/779c250f6bf7aaa03eef896ef1541e648ebf742911fe25095bde7b712d7234d4.png" />
@@ -898,6 +904,12 @@ <h1>Fine tuning the checkpoint<a class="headerlink" href="#fine-tuning-the-check
 </pre></div>
 </div>
 </div>
+<div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2296/1448814737.py:12: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
+</pre></div>
+</div>
+</div>
 </div>
 <p>Let’s see what we made.</p>
 <div class="cell docutils container">
@@ -1006,7 +1018,43 @@ <h2>Setting up the configuration yaml file<a class="headerlink" href="#setting-u
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>PosixPath(&#39;/home/runner/work/fairchem/fairchem/docs/core/fine-tuning/config.yml&#39;)
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">KeyError</span><span class="g g-Whitespace">                                  </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">13</span><span class="p">],</span> <span class="n">line</span> <span class="mi">3</span>
+<span class="g g-Whitespace">      </span><span class="mi">1</span> <span class="kn">from</span> <span class="nn">fairchem.core.common.tutorial_utils</span> <span class="kn">import</span> <span class="n">generate_yml_config</span> 
+<span class="ne">----&gt; </span><span class="mi">3</span> <span class="n">yml</span> <span class="o">=</span> <span class="n">generate_yml_config</span><span class="p">(</span><span class="n">checkpoint_path</span><span class="p">,</span> <span class="s1">&#39;config.yml&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">4</span>                    <span class="n">delete</span><span class="o">=</span><span class="p">[</span><span class="s1">&#39;slurm&#39;</span><span class="p">,</span> <span class="s1">&#39;cmd&#39;</span><span class="p">,</span> <span class="s1">&#39;logger&#39;</span><span class="p">,</span> <span class="s1">&#39;task&#39;</span><span class="p">,</span> <span class="s1">&#39;model_attributes&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">5</span>                            <span class="s1">&#39;optim.loss_force&#39;</span><span class="p">,</span> <span class="c1"># the checkpoint setting causes an error</span>
+<span class="g g-Whitespace">      </span><span class="mi">6</span>                            <span class="s1">&#39;dataset&#39;</span><span class="p">,</span> <span class="s1">&#39;test_dataset&#39;</span><span class="p">,</span> <span class="s1">&#39;val_dataset&#39;</span><span class="p">],</span>
+<span class="g g-Whitespace">      </span><span class="mi">7</span>                    <span class="n">update</span><span class="o">=</span><span class="p">{</span><span class="s1">&#39;gpus&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">8</span>                            <span class="s1">&#39;task.dataset&#39;</span><span class="p">:</span> <span class="s1">&#39;ase_db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">9</span>                            <span class="s1">&#39;optim.eval_every&#39;</span><span class="p">:</span> <span class="mi">10</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">10</span>                            <span class="s1">&#39;optim.max_epochs&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">11</span>                            <span class="s1">&#39;optim.batch_size&#39;</span><span class="p">:</span> <span class="mi">4</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">12</span>                             <span class="s1">&#39;logger&#39;</span><span class="p">:</span><span class="s1">&#39;tensorboard&#39;</span><span class="p">,</span> <span class="c1"># don&#39;t use wandb!</span>
+<span class="g g-Whitespace">     </span><span class="mi">13</span>                            <span class="c1"># Train data</span>
+<span class="g g-Whitespace">     </span><span class="mi">14</span>                            <span class="s1">&#39;dataset.train.src&#39;</span><span class="p">:</span> <span class="s1">&#39;train.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">15</span>                            <span class="s1">&#39;dataset.train.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">16</span>                            <span class="s1">&#39;dataset.train.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">17</span>                             <span class="c1"># Test data - prediction only so no regression</span>
+<span class="g g-Whitespace">     </span><span class="mi">18</span>                            <span class="s1">&#39;dataset.test.src&#39;</span><span class="p">:</span> <span class="s1">&#39;test.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">19</span>                            <span class="s1">&#39;dataset.test.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">20</span>                            <span class="s1">&#39;dataset.test.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">21</span>                            <span class="c1"># val data</span>
+<span class="g g-Whitespace">     </span><span class="mi">22</span>                            <span class="s1">&#39;dataset.val.src&#39;</span><span class="p">:</span> <span class="s1">&#39;val.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">23</span>                            <span class="s1">&#39;dataset.val.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">24</span>                            <span class="s1">&#39;dataset.val.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">25</span>                           <span class="p">})</span>
+<span class="g g-Whitespace">     </span><span class="mi">27</span> <span class="n">yml</span>
+
+<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/tutorial_utils.py:178,</span> in <span class="ni">generate_yml_config</span><span class="nt">(checkpoint_path, yml, delete, update)</span>
+<span class="g g-Whitespace">    </span><span class="mi">175</span>     <span class="n">nested_set</span><span class="p">(</span><span class="n">config</span><span class="p">,</span> <span class="n">keys</span><span class="p">,</span> <span class="n">update</span><span class="p">[</span><span class="n">_key</span><span class="p">])</span>
+<span class="g g-Whitespace">    </span><span class="mi">177</span> <span class="c1"># TODO : Do not rename keys in utils.py when reading a config</span>
+<span class="ne">--&gt; </span><span class="mi">178</span> <span class="n">config</span><span class="p">[</span><span class="s2">&quot;evaluation_metrics&quot;</span><span class="p">]</span><span class="o">=</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;eval_metrics&quot;</span><span class="p">]</span>
+<span class="g g-Whitespace">    </span><span class="mi">179</span> <span class="n">config</span><span class="o">.</span><span class="n">pop</span><span class="p">(</span><span class="s2">&quot;eval_metrics&quot;</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">181</span> <span class="n">out</span> <span class="o">=</span> <span class="n">dump</span><span class="p">(</span><span class="n">config</span><span class="p">)</span>
+
+<span class="ne">KeyError</span>: &#39;eval_metrics&#39;
 </pre></div>
 </div>
 </div>
@@ -1017,138 +1065,6 @@ <h2>Setting up the configuration yaml file<a class="headerlink" href="#setting-u
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>amp: true
-checkpoint: /tmp/ocp_checkpoints/gnoc_oc22_oc20_all_s2ef.pt
-dataset:
-  test:
-    a2g_args:
-      r_energy: false
-      r_forces: false
-    src: test.db
-  train:
-    a2g_args:
-      r_energy: true
-      r_forces: true
-    src: train.db
-  val:
-    a2g_args:
-      r_energy: true
-      r_forces: true
-    src: val.db
-evaluation_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-  primary_metric: forces_mae
-gpus: 1
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 1
-    fn: l2mae
-model:
-  activation: silu
-  atom_edge_interaction: true
-  atom_interaction: true
-  cbf:
-    name: spherical_harmonics
-  cutoff: 12.0
-  cutoff_aeaint: 12.0
-  cutoff_aint: 12.0
-  cutoff_qint: 12.0
-  direct_forces: true
-  edge_atom_interaction: true
-  emb_size_aint_in: 64
-  emb_size_aint_out: 64
-  emb_size_atom: 256
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_quad_in: 32
-  emb_size_quad_out: 32
-  emb_size_rbf: 16
-  emb_size_sbf: 32
-  emb_size_trip_in: 64
-  emb_size_trip_out: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  forces_coupled: false
-  max_neighbors: 30
-  max_neighbors_aeaint: 20
-  max_neighbors_aint: 1000
-  max_neighbors_qint: 8
-  name: gemnet_oc
-  num_after_skip: 2
-  num_atom: 3
-  num_atom_emb_layers: 2
-  num_before_skip: 2
-  num_blocks: 4
-  num_concat: 1
-  num_global_out_layers: 2
-  num_output_afteratom: 3
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: true
-  output_init: HeOrthogonal
-  qint_tags:
-  - 1
-  - 2
-  quad_interaction: true
-  rbf:
-    name: gaussian
-  regress_forces: true
-  sbf:
-    name: legendre_outer
-  symmetric_edge_symmetrization: false
-noddp: false
-optim:
-  batch_size: 4
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  energy_coefficient: 1
-  eval_batch_size: 16
-  eval_every: 10
-  factor: 0.8
-  force_coefficient: 1
-  load_balancing: atoms
-  loss_energy: mae
-  lr_initial: 0.0005
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-  weight_decay: 0
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-task:
-  dataset: ase_db
-trainer: ocp
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="running-the-training-job">
@@ -1164,10 +1080,10 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 <div class="highlight-none notranslate"><div class="highlight"><pre><span></span>tail -f train.txt
 </pre></div>
 </div>
-<p>You can also visit it in a browser at <a class="reference download internal" download="" href="../../_downloads/5fdddbed2260616231dbf7b0d94bb665/train.txt"><span class="xref download myst">train.txt</span></a>. You have to periodically refresh the view to see updates though.</p>
+<p>You can also visit it in a browser at <a class="reference internal" href="#./train.txt"><span class="xref myst">train.txt</span></a>. You have to periodically refresh the view to see updates though.</p>
 <p>This can take up to 30 minutes for 80 epochs, so we only do a few here to see what happens.</p>
 <div class="cell tag_hide-output docutils container">
-<div class="cell_input above-output-prompt docutils container">
+<div class="cell_input docutils container">
 <div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">time</span>
 <span class="kn">from</span> <span class="nn">fairchem.core.common.tutorial_utils</span> <span class="kn">import</span> <span class="n">fairchem_main</span>
 
@@ -1177,19 +1093,8 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<details class="hide below-input">
-<summary aria-label="Toggle hidden content">
-<span class="collapsed">Show code cell output</span>
-<span class="expanded">Hide code cell output</span>
-</summary>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time = 214.6 seconds
-</pre></div>
-</div>
-</div>
-</details>
 </div>
-<p>Now since we have a file, we can find the training results in it. See <a class="reference download internal" download="" href="../../_downloads/5fdddbed2260616231dbf7b0d94bb665/train.txt"><span class="xref download myst">train.txt</span></a>. At the top, the config is printed, so we can get the checkpoint directory. I use shell commands and Python to get the line, split and strip it here.</p>
+<p>Now since we have a file, we can find the training results in it. See <a class="reference internal" href="#./train.txt"><span class="xref myst">train.txt</span></a>. At the top, the config is printed, so we can get the checkpoint directory. I use shell commands and Python to get the line, split and strip it here.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
 <div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">cpline</span> <span class="o">=</span> <span class="o">!</span>grep<span class="w"> </span><span class="s2">&quot;checkpoint_dir:&quot;</span><span class="w"> </span>train.txt
@@ -1198,11 +1103,6 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;fine-tuning/checkpoints/2024-05-17-19-37-36-ft-oxides&#39;
-</pre></div>
-</div>
-</div>
 </div>
 <p>There will be two files in there: <code class="docutils literal notranslate"><span class="pre">checkpoint.pt</span></code> and <code class="docutils literal notranslate"><span class="pre">best_checkpoint.pt</span></code>.</p>
 <p>The <code class="docutils literal notranslate"><span class="pre">best_checkpoint.pt</span></code> is the one that performs best on the validation dataset. The <code class="docutils literal notranslate"><span class="pre">checkpoint.pt</span></code> is the most recently saved one. Probably it has the lowest loss in training, but this could be an indication of overfitting. You have to use some judgement in determining which one to use, and if it is sufficiently accurate for your needs. It may need additional training to further improve it.</p>
@@ -1213,17 +1113,6 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Unrecognized arguments: [&#39;symmetric_edge_symmetrization&#39;]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Using `weight_decay` from `optim` instead of `optim.optimizer_params`.Please update your config to use `optim.optimizer_params.weight_decay`.`optim.weight_decay` will soon be deprecated.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
-</pre></div>
-</div>
-</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -1257,9 +1146,6 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<img alt="../../_images/1918efdfa6c7cf75f783ce26cf5144cc28e97920ac6c715a26ecfb77049f0fd0.png" src="../../_images/1918efdfa6c7cf75f783ce26cf5144cc28e97920ac6c715a26ecfb77049f0fd0.png" />
-</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -1268,11 +1154,6 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>New MAE = 0.040 eV/atom
-</pre></div>
-</div>
-</div>
 </div>
 <p>This is a substantial improvement! We can see what it means in terms of the Equations of State. There is still not perfect agreement, but the curves are closer together. Additional fine tuning, or a better model could probably still improve this.</p>
 <div class="cell docutils container">
@@ -1287,9 +1168,6 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<img alt="../../_images/0eb57084264cb6659e4c11a99a08f7a29799ed5bba82e48509f00c0f87961126.png" src="../../_images/0eb57084264cb6659e4c11a99a08f7a29799ed5bba82e48509f00c0f87961126.png" />
-</div>
 </div>
 <p>It is possible to continue refining the fit. The simple things to do are to use more epochs of training. Eventually the MAE will stabilize, and then it may be necessary to adjust other optimization parameters like the learning rate (usually you decrease it).</p>
 <p>Depending on what is important to you, you may consider changing the relative importances of energy and forces; you can often trade off accuracy of one for the other. It may be necessary to add additional data to cover the composition and configuration space more thoroughly.</p>
@@ -1324,7 +1202,7 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
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@@ -1417,8 +1295,8 @@ <h2>Running the training job<a class="headerlink" href="#running-the-training-jo
   </div>
   
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-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
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diff --git a/core/gotchas.html b/core/gotchas.html
index 9acc6c390..a8efc39e3 100644
--- a/core/gotchas.html
+++ b/core/gotchas.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          name="__secondary"
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
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+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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 </ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/tasks/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-12" name="toctree-checkbox-12" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-12"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/tasks/task/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/tasks/task/index.html">core.tasks.task</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-13" name="toctree-checkbox-13" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-13"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html">core._cli</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-15" name="toctree-checkbox-15" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-15"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases</span></code></a></li>
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -700,36 +706,36 @@ <h1>I want the energy of a gas phase atom<a class="headerlink" href="#i-want-the
 <span class="g g-Whitespace">      </span><span class="mi">3</span> <span class="n">atoms</span><span class="o">.</span><span class="n">set_calculator</span><span class="p">(</span><span class="n">calc</span><span class="p">)</span>
 <span class="ne">----&gt; </span><span class="mi">4</span> <span class="n">atoms</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">()</span>
 
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:731,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
-<span class="g g-Whitespace">    </span><span class="mi">728</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
-<span class="g g-Whitespace">    </span><span class="mi">729</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">730</span> <span class="k">else</span><span class="p">:</span>
-<span class="ne">--&gt; </span><span class="mi">731</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">732</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">733</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:709,</span> in <span class="ni">Calculator.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
-<span class="g g-Whitespace">    </span><span class="mi">708</span> <span class="k">def</span> <span class="nf">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
-<span class="ne">--&gt; </span><span class="mi">709</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="s1">&#39;energy&#39;</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">710</span>     <span class="k">if</span> <span class="n">force_consistent</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">711</span>         <span class="k">if</span> <span class="s1">&#39;free_energy&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:737,</span> in <span class="ni">Calculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
-<span class="g g-Whitespace">    </span><span class="mi">735</span>     <span class="k">if</span> <span class="ow">not</span> <span class="n">allow_calculation</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">736</span>         <span class="k">return</span> <span class="kc">None</span>
-<span class="ne">--&gt; </span><span class="mi">737</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">739</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">740</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
-<span class="g g-Whitespace">    </span><span class="mi">741</span>     <span class="c1"># and that is OK.</span>
-<span class="g g-Whitespace">    </span><span class="mi">742</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span><span class="s1">&#39;</span><span class="si">{}</span><span class="s1"> not present in this &#39;</span>
-<span class="g g-Whitespace">    </span><span class="mi">743</span>                                       <span class="s1">&#39;calculation&#39;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">name</span><span class="p">))</span>
-
-<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:243,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
-<span class="g g-Whitespace">    </span><span class="mi">240</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">241</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="ne">--&gt; </span><span class="mi">243</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">245</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">246</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:755,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
+<span class="g g-Whitespace">    </span><span class="mi">752</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">753</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">754</span> <span class="k">else</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">755</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">756</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">757</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:24,</span> in <span class="ni">GetPropertiesMixin.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
+<span class="g g-Whitespace">     </span><span class="mi">22</span> <span class="k">else</span><span class="p">:</span>
+<span class="g g-Whitespace">     </span><span class="mi">23</span>     <span class="n">name</span> <span class="o">=</span> <span class="s1">&#39;energy&#39;</span>
+<span class="ne">---&gt; </span><span class="mi">24</span> <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="n">name</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:538,</span> in <span class="ni">BaseCalculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
+<span class="g g-Whitespace">    </span><span class="mi">535</span>     <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">use_cache</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">536</span>         <span class="bp">self</span><span class="o">.</span><span class="n">atoms</span> <span class="o">=</span> <span class="n">atoms</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
+<span class="ne">--&gt; </span><span class="mi">538</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">540</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">541</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
+<span class="g g-Whitespace">    </span><span class="mi">542</span>     <span class="c1"># and that is OK.</span>
+<span class="g g-Whitespace">    </span><span class="mi">543</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span>
+<span class="nn">    544         &#39;{} not present</span> in <span class="ni">this &#39; &#39;calculation&#39;.format</span><span class="nt">(name)</span>
+<span class="g g-Whitespace">    </span><span class="mi">545</span>     <span class="p">)</span>
+
+<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:235,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
+<span class="g g-Whitespace">    </span><span class="mi">232</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">233</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">235</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">237</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">238</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
 
 <span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/utils/_contextlib.py:115,</span> in <span class="ni">context_decorator.&lt;locals&gt;.decorate_context</span><span class="nt">(*args, **kwargs)</span>
 <span class="g g-Whitespace">    </span><span class="mi">112</span> <span class="nd">@functools</span><span class="o">.</span><span class="n">wraps</span><span class="p">(</span><span class="n">func</span><span class="p">)</span>
@@ -915,6 +921,10 @@ <h1>I get wildly different energies from the different models<a class="headerlin
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/1677958285.py:11: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1.2779738903045654
 </pre></div>
 </div>
@@ -948,6 +958,10 @@ <h1>I get wildly different energies from the different models<a class="headerlin
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/2284884232.py:9: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-110.3986587524414
 </pre></div>
 </div>
@@ -973,7 +987,11 @@ <h1>I get wildly different energies from the different models<a class="headerlin
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1.6778979301452637
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/898007276.py:7: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1.682196855545044
 </pre></div>
 </div>
 </div>
@@ -1056,36 +1074,36 @@ <h1>You need at least four atoms for molecules with some models<a class="headerl
 <span class="g g-Whitespace">      </span><span class="mi">6</span> <span class="n">atoms</span><span class="o">.</span><span class="n">set_calculator</span><span class="p">(</span><span class="n">calc</span><span class="p">)</span>
 <span class="ne">----&gt; </span><span class="mi">7</span> <span class="n">atoms</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">()</span>
 
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:731,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
-<span class="g g-Whitespace">    </span><span class="mi">728</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
-<span class="g g-Whitespace">    </span><span class="mi">729</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">730</span> <span class="k">else</span><span class="p">:</span>
-<span class="ne">--&gt; </span><span class="mi">731</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">732</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">733</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:709,</span> in <span class="ni">Calculator.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
-<span class="g g-Whitespace">    </span><span class="mi">708</span> <span class="k">def</span> <span class="nf">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
-<span class="ne">--&gt; </span><span class="mi">709</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="s1">&#39;energy&#39;</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">710</span>     <span class="k">if</span> <span class="n">force_consistent</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">711</span>         <span class="k">if</span> <span class="s1">&#39;free_energy&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:737,</span> in <span class="ni">Calculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
-<span class="g g-Whitespace">    </span><span class="mi">735</span>     <span class="k">if</span> <span class="ow">not</span> <span class="n">allow_calculation</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">736</span>         <span class="k">return</span> <span class="kc">None</span>
-<span class="ne">--&gt; </span><span class="mi">737</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">739</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">740</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
-<span class="g g-Whitespace">    </span><span class="mi">741</span>     <span class="c1"># and that is OK.</span>
-<span class="g g-Whitespace">    </span><span class="mi">742</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span><span class="s1">&#39;</span><span class="si">{}</span><span class="s1"> not present in this &#39;</span>
-<span class="g g-Whitespace">    </span><span class="mi">743</span>                                       <span class="s1">&#39;calculation&#39;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">name</span><span class="p">))</span>
-
-<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:243,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
-<span class="g g-Whitespace">    </span><span class="mi">240</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">241</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="ne">--&gt; </span><span class="mi">243</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">245</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">246</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:755,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
+<span class="g g-Whitespace">    </span><span class="mi">752</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">753</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">754</span> <span class="k">else</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">755</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">756</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">757</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:24,</span> in <span class="ni">GetPropertiesMixin.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
+<span class="g g-Whitespace">     </span><span class="mi">22</span> <span class="k">else</span><span class="p">:</span>
+<span class="g g-Whitespace">     </span><span class="mi">23</span>     <span class="n">name</span> <span class="o">=</span> <span class="s1">&#39;energy&#39;</span>
+<span class="ne">---&gt; </span><span class="mi">24</span> <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="n">name</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:538,</span> in <span class="ni">BaseCalculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
+<span class="g g-Whitespace">    </span><span class="mi">535</span>     <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">use_cache</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">536</span>         <span class="bp">self</span><span class="o">.</span><span class="n">atoms</span> <span class="o">=</span> <span class="n">atoms</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
+<span class="ne">--&gt; </span><span class="mi">538</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">540</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">541</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
+<span class="g g-Whitespace">    </span><span class="mi">542</span>     <span class="c1"># and that is OK.</span>
+<span class="g g-Whitespace">    </span><span class="mi">543</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span>
+<span class="nn">    544         &#39;{} not present</span> in <span class="ni">this &#39; &#39;calculation&#39;.format</span><span class="nt">(name)</span>
+<span class="g g-Whitespace">    </span><span class="mi">545</span>     <span class="p">)</span>
+
+<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:235,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
+<span class="g g-Whitespace">    </span><span class="mi">232</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">233</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">235</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">237</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">238</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
 
 <span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/utils/_contextlib.py:115,</span> in <span class="ni">context_decorator.&lt;locals&gt;.decorate_context</span><span class="nt">(*args, **kwargs)</span>
 <span class="g g-Whitespace">    </span><span class="mi">112</span> <span class="nd">@functools</span><span class="o">.</span><span class="n">wraps</span><span class="p">(</span><span class="n">func</span><span class="p">)</span>
@@ -1266,36 +1284,36 @@ <h1>To tag or not?<a class="headerlink" href="#to-tag-or-not" title="Link to thi
 <span class="g g-Whitespace">      </span><span class="mi">2</span> <span class="n">atoms</span><span class="o">.</span><span class="n">set_calculator</span><span class="p">(</span><span class="n">calc</span><span class="p">)</span>
 <span class="ne">----&gt; </span><span class="mi">3</span> <span class="n">atoms</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">()</span>  <span class="c1"># error</span>
 
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:731,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
-<span class="g g-Whitespace">    </span><span class="mi">728</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
-<span class="g g-Whitespace">    </span><span class="mi">729</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">730</span> <span class="k">else</span><span class="p">:</span>
-<span class="ne">--&gt; </span><span class="mi">731</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">732</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">733</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:709,</span> in <span class="ni">Calculator.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
-<span class="g g-Whitespace">    </span><span class="mi">708</span> <span class="k">def</span> <span class="nf">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="kc">False</span><span class="p">):</span>
-<span class="ne">--&gt; </span><span class="mi">709</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="s1">&#39;energy&#39;</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">710</span>     <span class="k">if</span> <span class="n">force_consistent</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">711</span>         <span class="k">if</span> <span class="s1">&#39;free_energy&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-
-<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:737,</span> in <span class="ni">Calculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
-<span class="g g-Whitespace">    </span><span class="mi">735</span>     <span class="k">if</span> <span class="ow">not</span> <span class="n">allow_calculation</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">736</span>         <span class="k">return</span> <span class="kc">None</span>
-<span class="ne">--&gt; </span><span class="mi">737</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">739</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">740</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
-<span class="g g-Whitespace">    </span><span class="mi">741</span>     <span class="c1"># and that is OK.</span>
-<span class="g g-Whitespace">    </span><span class="mi">742</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span><span class="s1">&#39;</span><span class="si">{}</span><span class="s1"> not present in this &#39;</span>
-<span class="g g-Whitespace">    </span><span class="mi">743</span>                                       <span class="s1">&#39;calculation&#39;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">name</span><span class="p">))</span>
-
-<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:243,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
-<span class="g g-Whitespace">    </span><span class="mi">240</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">241</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="ne">--&gt; </span><span class="mi">243</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
-<span class="g g-Whitespace">    </span><span class="mi">245</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
-<span class="g g-Whitespace">    </span><span class="mi">246</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:755,</span> in <span class="ni">Atoms.get_potential_energy</span><span class="nt">(self, force_consistent, apply_constraint)</span>
+<span class="g g-Whitespace">    </span><span class="mi">752</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">753</span>         <span class="bp">self</span><span class="p">,</span> <span class="n">force_consistent</span><span class="o">=</span><span class="n">force_consistent</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">754</span> <span class="k">else</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">755</span>     <span class="n">energy</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">756</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">757</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:24,</span> in <span class="ni">GetPropertiesMixin.get_potential_energy</span><span class="nt">(self, atoms, force_consistent)</span>
+<span class="g g-Whitespace">     </span><span class="mi">22</span> <span class="k">else</span><span class="p">:</span>
+<span class="g g-Whitespace">     </span><span class="mi">23</span>     <span class="n">name</span> <span class="o">=</span> <span class="s1">&#39;energy&#39;</span>
+<span class="ne">---&gt; </span><span class="mi">24</span> <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="n">name</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/calculator.py:538,</span> in <span class="ni">BaseCalculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
+<span class="g g-Whitespace">    </span><span class="mi">535</span>     <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">use_cache</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">536</span>         <span class="bp">self</span><span class="o">.</span><span class="n">atoms</span> <span class="o">=</span> <span class="n">atoms</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
+<span class="ne">--&gt; </span><span class="mi">538</span>     <span class="bp">self</span><span class="o">.</span><span class="n">calculate</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="p">[</span><span class="n">name</span><span class="p">],</span> <span class="n">system_changes</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">540</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">541</span>     <span class="c1"># For some reason the calculator was not able to do what we want,</span>
+<span class="g g-Whitespace">    </span><span class="mi">542</span>     <span class="c1"># and that is OK.</span>
+<span class="g g-Whitespace">    </span><span class="mi">543</span>     <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span>
+<span class="nn">    544         &#39;{} not present</span> in <span class="ni">this &#39; &#39;calculation&#39;.format</span><span class="nt">(name)</span>
+<span class="g g-Whitespace">    </span><span class="mi">545</span>     <span class="p">)</span>
+
+<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/relaxation/ase_utils.py:235,</span> in <span class="ni">OCPCalculator.calculate</span><span class="nt">(self, atoms, properties, system_changes)</span>
+<span class="g g-Whitespace">    </span><span class="mi">232</span> <span class="n">data_object</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">a2g</span><span class="o">.</span><span class="n">convert</span><span class="p">(</span><span class="n">atoms</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">233</span> <span class="n">batch</span> <span class="o">=</span> <span class="n">data_list_collater</span><span class="p">([</span><span class="n">data_object</span><span class="p">],</span> <span class="n">otf_graph</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">235</span> <span class="n">predictions</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">batch</span><span class="p">,</span> <span class="n">per_image</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">237</span> <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">predictions</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">238</span>     <span class="n">_pred</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="n">key</span><span class="p">]</span>
 
 <span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/utils/_contextlib.py:115,</span> in <span class="ni">context_decorator.&lt;locals&gt;.decorate_context</span><span class="nt">(*args, **kwargs)</span>
 <span class="g g-Whitespace">    </span><span class="mi">112</span> <span class="nd">@functools</span><span class="o">.</span><span class="n">wraps</span><span class="p">(</span><span class="n">func</span><span class="p">)</span>
@@ -1438,6 +1456,10 @@ <h1>To tag or not?<a class="headerlink" href="#to-tag-or-not" title="Link to thi
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/3906293788.py:3: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-23.71796226501465
 </pre></div>
 </div>
@@ -1478,7 +1500,11 @@ <h1>To tag or not?<a class="headerlink" href="#to-tag-or-not" title="Link to thi
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-0.4297364056110382
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/4094489779.py:3: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
+</pre></div>
+</div>
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-0.4297376871109009
 </pre></div>
 </div>
 </div>
@@ -1525,17 +1551,21 @@ <h1>Stochastic simulation results<a class="headerlink" href="#stochastic-simulat
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1.2139869689941407 1.9579377334258855e-06
-1.2139861583709717
-1.2139899730682373
-1.2139861583709717
-1.2139878273010254
-1.2139878273010254
-1.2139830589294434
-1.213984489440918
-1.2139883041381836
-1.2139887809753418
-1.213987112045288
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/3095522216.py:11: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1.2139875650405885 2.109566605398526e-06
+1.2139904499053955
+1.2139866352081299
+1.2139892578125
+1.2139885425567627
+1.213989019393921
+1.2139837741851807
+1.2139885425567627
+1.213986873626709
+1.2139885425567627
+1.2139840126037598
 </pre></div>
 </div>
 </div>
@@ -1573,7 +1603,11 @@ <h1>The forces don’t sum to zero<a class="headerlink" href="#the-forces-don-t-
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([ 0.00848159,  0.01409468, -0.05882776], dtype=float32)
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2367/2981184886.py:11: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([ 0.00848129,  0.01409292, -0.0588274 ], dtype=float32)
 </pre></div>
 </div>
 </div>
@@ -1586,7 +1620,7 @@ <h1>The forces don’t sum to zero<a class="headerlink" href="#the-forces-don-t-
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([ 7.1711838e-08,  3.3294782e-08, -8.3446503e-07], dtype=float32)
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([-6.2165782e-08, -1.2887176e-07,  0.0000000e+00], dtype=float32)
 </pre></div>
 </div>
 </div>
@@ -1620,7 +1654,7 @@ <h1>The forces don’t sum to zero<a class="headerlink" href="#the-forces-don-t-
               
               
               
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+
+  <div class="pst-async-banner-revealer d-none">
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@@ -139,6 +140,8 @@
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
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-</li>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -639,12 +645,9 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>--2024-05-17 19:42:44--  https://figshare.com/ndownloader/files/11948267
-Resolving figshare.com (figshare.com)... 
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>63.33.12.55, 52.214.121.144, 2a05:d018:1f4:d000:2dfa:52ce:c4c9:d519, ...
-Connecting to figshare.com (figshare.com)|63.33.12.55|:443... 
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>--2024-06-26 19:06:27--  https://figshare.com/ndownloader/files/11948267
+Resolving figshare.com (figshare.com)... 99.80.139.154, 52.215.36.102, 2a05:d018:1f4:d003:97d8:9f77:115c:5d78, ...
+Connecting to figshare.com (figshare.com)|99.80.139.154|:443... 
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>connected.
@@ -654,10 +657,10 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>302 Found
-Location: https://s3-eu-west-1.amazonaws.com/pstorage-cmu-348901238291901/11948267/data.db?X-Amz-Algorithm=AWS4-HMAC-SHA256&amp;X-Amz-Credential=AKIAI266R7V6O36O5JUA/20240517/eu-west-1/s3/aws4_request&amp;X-Amz-Date=20240517T194245Z&amp;X-Amz-Expires=10&amp;X-Amz-SignedHeaders=host&amp;X-Amz-Signature=d4a815595b07fe74bc30a1c1dd523a92147cc4dc9063253d29020008e971807d [following]
---2024-05-17 19:42:45--  https://s3-eu-west-1.amazonaws.com/pstorage-cmu-348901238291901/11948267/data.db?X-Amz-Algorithm=AWS4-HMAC-SHA256&amp;X-Amz-Credential=AKIAI266R7V6O36O5JUA/20240517/eu-west-1/s3/aws4_request&amp;X-Amz-Date=20240517T194245Z&amp;X-Amz-Expires=10&amp;X-Amz-SignedHeaders=host&amp;X-Amz-Signature=d4a815595b07fe74bc30a1c1dd523a92147cc4dc9063253d29020008e971807d
-Resolving s3-eu-west-1.amazonaws.com (s3-eu-west-1.amazonaws.com)... 52.218.108.11, 52.218.98.59, 52.218.41.83, ...
-Connecting to s3-eu-west-1.amazonaws.com (s3-eu-west-1.amazonaws.com)|52.218.108.11|:443... 
+Location: https://s3-eu-west-1.amazonaws.com/pstorage-cmu-348901238291901/11948267/data.db?X-Amz-Algorithm=AWS4-HMAC-SHA256&amp;X-Amz-Credential=AKIAI266R7V6O36O5JUA/20240626/eu-west-1/s3/aws4_request&amp;X-Amz-Date=20240626T190627Z&amp;X-Amz-Expires=10&amp;X-Amz-SignedHeaders=host&amp;X-Amz-Signature=53f72accebe7f74850860c3576a73aac8a30017351e7331f5f21a5c3184e186d [following]
+--2024-06-26 19:06:28--  https://s3-eu-west-1.amazonaws.com/pstorage-cmu-348901238291901/11948267/data.db?X-Amz-Algorithm=AWS4-HMAC-SHA256&amp;X-Amz-Credential=AKIAI266R7V6O36O5JUA/20240626/eu-west-1/s3/aws4_request&amp;X-Amz-Date=20240626T190627Z&amp;X-Amz-Expires=10&amp;X-Amz-SignedHeaders=host&amp;X-Amz-Signature=53f72accebe7f74850860c3576a73aac8a30017351e7331f5f21a5c3184e186d
+Resolving s3-eu-west-1.amazonaws.com (s3-eu-west-1.amazonaws.com)... 52.218.120.120, 52.218.97.107, 52.218.101.179, ...
+Connecting to s3-eu-west-1.amazonaws.com (s3-eu-west-1.amazonaws.com)|52.218.120.120|:443... 
 </pre></div>
 </div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>connected.
@@ -674,39 +677,39 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 data.db               0%[                    ]       0  --.-KB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               0%[                    ]  60.38K   233KB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               0%[                    ]  66.38K   244KB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               0%[                    ] 281.38K   543KB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               0%[                    ] 270.38K   497KB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               2%[                    ]   1.14M  1.46MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db               2%[                    ]   1.08M  1.32MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              11%[=&gt;                  ]   4.67M  4.51MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              10%[=&gt;                  ]   4.35M  4.00MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              21%[===&gt;                ]   8.81M  7.03MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              24%[===&gt;                ]  10.24M  7.53MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              35%[======&gt;             ]  14.50M  9.58MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              38%[======&gt;             ]  15.99M  9.81MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              49%[========&gt;           ]  20.44M  11.5MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              53%[=========&gt;          ]  21.85M  11.5MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              63%[===========&gt;        ]  26.09M  12.8MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              67%[============&gt;       ]  27.68M  12.7MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              77%[==============&gt;     ]  31.89M  13.9MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              81%[===============&gt;    ]  33.52M  13.7MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              91%[=================&gt;  ]  37.55M  14.7MB/s               
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db              95%[==================&gt; ]  39.31M  14.4MB/s               
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db             100%[===================&gt;]  41.13M  15.3MB/s    in 2.7s    
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>data.db             100%[===================&gt;]  41.13M  15.0MB/s    in 2.7s    
 
-2024-05-17 19:42:48 (15.3 MB/s) - ‘data.db’ saved [43125760/43125760]
+2024-06-26 19:06:31 (15.0 MB/s) - ‘data.db’ saved [43125760/43125760]
 </pre></div>
 </div>
 </div>
@@ -734,6 +737,63 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
+<div class="cell_output docutils container">
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">ValueError</span><span class="g g-Whitespace">                                </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span> <span class="n">line</span> <span class="mi">16</span>
+<span class="g g-Whitespace">     </span><span class="mi">13</span> <span class="k">if</span> <span class="s1">&#39;tag&#39;</span> <span class="ow">in</span> <span class="n">atoms</span><span class="o">.</span><span class="n">info</span><span class="p">[</span><span class="s1">&#39;key_value_pairs&#39;</span><span class="p">]:</span>
+<span class="g g-Whitespace">     </span><span class="mi">14</span>   <span class="n">atoms</span><span class="o">.</span><span class="n">info</span><span class="p">[</span><span class="s1">&#39;key_value_pairs&#39;</span><span class="p">][</span><span class="s1">&#39;tag&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">atoms</span><span class="o">.</span><span class="n">info</span><span class="p">[</span><span class="s1">&#39;key_value_pairs&#39;</span><span class="p">][</span><span class="s1">&#39;tag&#39;</span><span class="p">])</span>
+<span class="ne">---&gt; </span><span class="mi">16</span> <span class="n">subset_db</span><span class="o">.</span><span class="n">write</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="o">**</span><span class="n">atoms</span><span class="o">.</span><span class="n">info</span><span class="p">[</span><span class="s1">&#39;key_value_pairs&#39;</span><span class="p">])</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/parallel.py:271,</span> in <span class="ni">parallel_function.&lt;locals&gt;.new_func</span><span class="nt">(*args, **kwargs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">265</span> <span class="nd">@functools</span><span class="o">.</span><span class="n">wraps</span><span class="p">(</span><span class="n">func</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">266</span> <span class="k">def</span> <span class="nf">new_func</span><span class="p">(</span><span class="o">*</span><span class="n">args</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">):</span>
+<span class="g g-Whitespace">    </span><span class="mi">267</span>     <span class="k">if</span> <span class="p">(</span><span class="n">world</span><span class="o">.</span><span class="n">size</span> <span class="o">==</span> <span class="mi">1</span> <span class="ow">or</span>
+<span class="g g-Whitespace">    </span><span class="mi">268</span>         <span class="n">args</span> <span class="ow">and</span> <span class="nb">getattr</span><span class="p">(</span><span class="n">args</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span> <span class="s1">&#39;serial&#39;</span><span class="p">,</span> <span class="kc">False</span><span class="p">)</span> <span class="ow">or</span>
+<span class="g g-Whitespace">    </span><span class="mi">269</span>             <span class="ow">not</span> <span class="n">kwargs</span><span class="o">.</span><span class="n">pop</span><span class="p">(</span><span class="s1">&#39;parallel&#39;</span><span class="p">,</span> <span class="kc">True</span><span class="p">)):</span>
+<span class="g g-Whitespace">    </span><span class="mi">270</span>         <span class="c1"># Disable:</span>
+<span class="ne">--&gt; </span><span class="mi">271</span>         <span class="k">return</span> <span class="n">func</span><span class="p">(</span><span class="o">*</span><span class="n">args</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">273</span>     <span class="n">ex</span> <span class="o">=</span> <span class="kc">None</span>
+<span class="g g-Whitespace">    </span><span class="mi">274</span>     <span class="n">result</span> <span class="o">=</span> <span class="kc">None</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:238,</span> in <span class="ni">lock.&lt;locals&gt;.new_method</span><span class="nt">(self, *args, **kwargs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">236</span> <span class="k">else</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">237</span>     <span class="k">with</span> <span class="bp">self</span><span class="o">.</span><span class="n">lock</span><span class="p">:</span>
+<span class="ne">--&gt; </span><span class="mi">238</span>         <span class="k">return</span> <span class="n">method</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="o">*</span><span class="n">args</span><span class="p">,</span> <span class="o">**</span><span class="n">kwargs</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:385,</span> in <span class="ni">Database.write</span><span class="nt">(self, atoms, key_value_pairs, data, id, **kwargs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">382</span> <span class="n">kvp</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">(</span><span class="n">key_value_pairs</span><span class="p">)</span>  <span class="c1"># modify a copy</span>
+<span class="g g-Whitespace">    </span><span class="mi">383</span> <span class="n">kvp</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">kwargs</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">385</span> <span class="nb">id</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_write</span><span class="p">(</span><span class="n">atoms</span><span class="p">,</span> <span class="n">kvp</span><span class="p">,</span> <span class="n">data</span><span class="p">,</span> <span class="nb">id</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">386</span> <span class="k">return</span> <span class="nb">id</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/sqlite.py:258,</span> in <span class="ni">SQLite3Database._write</span><span class="nt">(self, atoms, key_value_pairs, data, id)</span>
+<span class="g g-Whitespace">    </span><span class="mi">256</span> <span class="k">def</span> <span class="nf">_write</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="p">,</span> <span class="n">key_value_pairs</span><span class="p">,</span> <span class="n">data</span><span class="p">,</span> <span class="nb">id</span><span class="p">):</span>
+<span class="g g-Whitespace">    </span><span class="mi">257</span>     <span class="n">ext_tables</span> <span class="o">=</span> <span class="n">key_value_pairs</span><span class="o">.</span><span class="n">pop</span><span class="p">(</span><span class="s2">&quot;external_tables&quot;</span><span class="p">,</span> <span class="p">{})</span>
+<span class="ne">--&gt; </span><span class="mi">258</span>     <span class="n">Database</span><span class="o">.</span><span class="n">_write</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="p">,</span> <span class="n">key_value_pairs</span><span class="p">,</span> <span class="n">data</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">260</span>     <span class="n">mtime</span> <span class="o">=</span> <span class="n">now</span><span class="p">()</span>
+<span class="g g-Whitespace">    </span><span class="mi">262</span>     <span class="n">encode</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">encode</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:389,</span> in <span class="ni">Database._write</span><span class="nt">(self, atoms, key_value_pairs, data, id)</span>
+<span class="g g-Whitespace">    </span><span class="mi">388</span> <span class="k">def</span> <span class="nf">_write</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="p">,</span> <span class="n">key_value_pairs</span><span class="p">,</span> <span class="n">data</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
+<span class="ne">--&gt; </span><span class="mi">389</span>     <span class="n">check</span><span class="p">(</span><span class="n">key_value_pairs</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">390</span>     <span class="k">return</span> <span class="mi">1</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:154,</span> in <span class="ni">check</span><span class="nt">(key_value_pairs)</span>
+<span class="g g-Whitespace">    </span><span class="mi">152</span> <span class="k">for</span> <span class="n">t</span> <span class="ow">in</span> <span class="p">[</span><span class="nb">bool</span><span class="p">,</span> <span class="nb">int</span><span class="p">,</span> <span class="nb">float</span><span class="p">]:</span>
+<span class="g g-Whitespace">    </span><span class="mi">153</span>     <span class="k">if</span> <span class="n">str_represents</span><span class="p">(</span><span class="n">value</span><span class="p">,</span> <span class="n">t</span><span class="p">):</span>
+<span class="ne">--&gt; </span><span class="mi">154</span>         <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">(</span>
+<span class="g g-Whitespace">    </span><span class="mi">155</span>             <span class="s1">&#39;Value &#39;</span> <span class="o">+</span> <span class="n">value</span> <span class="o">+</span> <span class="s1">&#39; is put in as string &#39;</span> <span class="o">+</span>
+<span class="g g-Whitespace">    </span><span class="mi">156</span>             <span class="s1">&#39;but can be interpreted as &#39;</span> <span class="o">+</span>
+<span class="g g-Whitespace">    </span><span class="mi">157</span>             <span class="sa">f</span><span class="s1">&#39;</span><span class="si">{</span><span class="n">t</span><span class="o">.</span><span class="vm">__name__</span><span class="si">}</span><span class="s1">! Please convert &#39;</span> <span class="o">+</span>
+<span class="g g-Whitespace">    </span><span class="mi">158</span>             <span class="sa">f</span><span class="s1">&#39;to </span><span class="si">{</span><span class="n">t</span><span class="o">.</span><span class="vm">__name__</span><span class="si">}</span><span class="s1"> before &#39;</span> <span class="o">+</span>
+<span class="g g-Whitespace">    </span><span class="mi">159</span>             <span class="s1">&#39;writing to the database OR change &#39;</span> <span class="o">+</span>
+<span class="g g-Whitespace">    </span><span class="mi">160</span>             <span class="s1">&#39;to a different string.&#39;</span><span class="p">)</span>
+
+<span class="ne">ValueError</span>: Value True is put in as string but can be interpreted as bool! Please convert to bool before writing to the database OR change to a different string.
+</pre></div>
+</div>
+</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -741,33 +801,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>id|age|user  |formula|calculator|  energy|natoms| fmax|pbc|  volume|charge|     mass
- 1| 0s|runner|Au4    |unknown   | -12.151|     4|0.078|TTT| 143.096| 0.000|  787.866
- 2| 0s|runner|Au51   |unknown   |-122.913|    51|1.090|TTT|6691.718| 0.000|10045.295
- 3| 0s|runner|Au     |unknown   |  -1.714|     1|0.000|TTT|  40.220| 0.000|  196.967
- 4| 0s|runner|Au18   |unknown   | -42.755|    18|0.234|TTT|4250.202| 0.000| 3545.398
- 5| 0s|runner|Au13   |unknown   | -29.623|    13|0.147|TTT|3635.026| 0.000| 2560.565
- 6| 0s|runner|Au13   |unknown   | -29.167|    13|0.194|TTT|3635.026| 0.000| 2560.565
- 7| 0s|runner|Au20   |unknown   | -48.196|    20|0.115|TTT|4413.396| 0.000| 3939.331
- 8| 0s|runner|Au20   |unknown   | -48.321|    20|0.417|TTT|4413.396| 0.000| 3939.331
- 9| 0s|runner|Au38   |unknown   | -98.572|    38|0.141|TTT|5846.048| 0.000| 7484.730
-10| 0s|runner|Au52   |unknown   |-137.922|    52|0.187|TTT|6744.510| 0.000|10242.262
-11| 0s|runner|Au31   |unknown   | -74.840|    31|0.495|TTT|5304.824| 0.000| 6105.964
-12| 0s|runner|Au25   |unknown   | -60.671|    25|0.314|TTT|4771.343| 0.000| 4924.164
-13| 0s|runner|Au29   |unknown   | -73.005|    29|0.399|TTT|5184.740| 0.000| 5712.031
-14| 0s|runner|Au40   |unknown   |-120.490|    40|0.073|TTT|1589.860| 0.000| 7878.663
-15| 0s|runner|Au46   |unknown   |-119.603|    46|0.412|TTT|6322.757| 0.000| 9060.462
-16| 0s|runner|Au12   |unknown   | -27.123|    12|0.473|TTT|3571.095| 0.000| 2363.599
-17| 0s|runner|Au4    |unknown   | -11.647|     4|0.105|TTT| 156.940| 0.000|  787.866
-18| 0s|runner|Au24   |unknown   | -59.300|    24|0.092|TTT|4672.311| 0.000| 4727.198
-19| 0s|runner|Au32   |unknown   | -82.217|    32|0.120|TTT|5385.186| 0.000| 6302.930
-20| 0s|runner|Au33   |unknown   | -85.156|    33|0.154|TTT|5480.808| 0.000| 6499.897
-Rows: 50 (showing first 20)
-Keys: NEB, bulk, calc_time, cluster, config, diffusion, ediff, ediffg, encut, factor, fermi, gga, group, image, kpt1, kpt2, kpt3, miller, neural_energy, reax_energy, strain, structure, surf, train_set, traj, vacuum, volume, xc
-</pre></div>
-</div>
-</div>
 </div>
 <p>You have to choose a checkpoint to start with. The newer checkpoints may require too much memory for this environment.</p>
 <div class="cell docutils container">
@@ -777,11 +810,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>(&#39;CGCNN-S2EF-OC20-200k&#39;, &#39;CGCNN-S2EF-OC20-2M&#39;, &#39;CGCNN-S2EF-OC20-20M&#39;, &#39;CGCNN-S2EF-OC20-All&#39;, &#39;DimeNet-S2EF-OC20-200k&#39;, &#39;DimeNet-S2EF-OC20-2M&#39;, &#39;SchNet-S2EF-OC20-200k&#39;, &#39;SchNet-S2EF-OC20-2M&#39;, &#39;SchNet-S2EF-OC20-20M&#39;, &#39;SchNet-S2EF-OC20-All&#39;, &#39;DimeNet++-S2EF-OC20-200k&#39;, &#39;DimeNet++-S2EF-OC20-2M&#39;, &#39;DimeNet++-S2EF-OC20-20M&#39;, &#39;DimeNet++-S2EF-OC20-All&#39;, &#39;SpinConv-S2EF-OC20-2M&#39;, &#39;SpinConv-S2EF-OC20-All&#39;, &#39;GemNet-dT-S2EF-OC20-2M&#39;, &#39;GemNet-dT-S2EF-OC20-All&#39;, &#39;PaiNN-S2EF-OC20-All&#39;, &#39;GemNet-OC-S2EF-OC20-2M&#39;, &#39;GemNet-OC-S2EF-OC20-All&#39;, &#39;GemNet-OC-S2EF-OC20-All+MD&#39;, &#39;GemNet-OC-Large-S2EF-OC20-All+MD&#39;, &#39;SCN-S2EF-OC20-2M&#39;, &#39;SCN-t4-b2-S2EF-OC20-2M&#39;, &#39;SCN-S2EF-OC20-All+MD&#39;, &#39;eSCN-L4-M2-Lay12-S2EF-OC20-2M&#39;, &#39;eSCN-L6-M2-Lay12-S2EF-OC20-2M&#39;, &#39;eSCN-L6-M2-Lay12-S2EF-OC20-All+MD&#39;, &#39;eSCN-L6-M3-Lay20-S2EF-OC20-All+MD&#39;, &#39;EquiformerV2-83M-S2EF-OC20-2M&#39;, &#39;EquiformerV2-31M-S2EF-OC20-All+MD&#39;, &#39;EquiformerV2-153M-S2EF-OC20-All+MD&#39;, &#39;SchNet-S2EF-force-only-OC20-All&#39;, &#39;DimeNet++-force-only-OC20-All&#39;, &#39;DimeNet++-Large-S2EF-force-only-OC20-All&#39;, &#39;DimeNet++-S2EF-force-only-OC20-20M+Rattled&#39;, &#39;DimeNet++-S2EF-force-only-OC20-20M+MD&#39;, &#39;CGCNN-IS2RE-OC20-10k&#39;, &#39;CGCNN-IS2RE-OC20-100k&#39;, &#39;CGCNN-IS2RE-OC20-All&#39;, &#39;DimeNet-IS2RE-OC20-10k&#39;, &#39;DimeNet-IS2RE-OC20-100k&#39;, &#39;DimeNet-IS2RE-OC20-all&#39;, &#39;SchNet-IS2RE-OC20-10k&#39;, &#39;SchNet-IS2RE-OC20-100k&#39;, &#39;SchNet-IS2RE-OC20-All&#39;, &#39;DimeNet++-IS2RE-OC20-10k&#39;, &#39;DimeNet++-IS2RE-OC20-100k&#39;, &#39;DimeNet++-IS2RE-OC20-All&#39;, &#39;PaiNN-IS2RE-OC20-All&#39;, &#39;GemNet-dT-S2EFS-OC22&#39;, &#39;GemNet-OC-S2EFS-OC22&#39;, &#39;GemNet-OC-S2EFS-OC20+OC22&#39;, &#39;GemNet-OC-S2EFS-nsn-OC20+OC22&#39;, &#39;GemNet-OC-S2EFS-OC20-&gt;OC22&#39;, &#39;EquiformerV2-lE4-lF100-S2EFS-OC22&#39;, &#39;SchNet-S2EF-ODAC&#39;, &#39;DimeNet++-S2EF-ODAC&#39;, &#39;PaiNN-S2EF-ODAC&#39;, &#39;GemNet-OC-S2EF-ODAC&#39;, &#39;eSCN-S2EF-ODAC&#39;, &#39;EquiformerV2-S2EF-ODAC&#39;, &#39;EquiformerV2-Large-S2EF-ODAC&#39;, &#39;Gemnet-OC-IS2RE-ODAC&#39;, &#39;eSCN-IS2RE-ODAC&#39;, &#39;EquiformerV2-IS2RE-ODAC&#39;)
-</pre></div>
-</div>
-</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -792,11 +820,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;/tmp/ocp_checkpoints/gndt_oc22_all_s2ef.pt&#39;
-</pre></div>
-</div>
-</div>
 </div>
 <p>We have to update our configuration yml file with the dataset. It is necessary to specify the train and test set for some reason.</p>
 <div class="cell docutils container">
@@ -826,20 +849,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Scale factor comment not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
-</pre></div>
-</div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>PosixPath(&#39;/home/runner/work/fairchem/fairchem/docs/core/config.yml&#39;)
-</pre></div>
-</div>
-</div>
 </div>
 <p>It is a good idea to redirect the output to a file. If the output gets too large here, the notebook may fail to save. Normally I would use a redirect like <code class="docutils literal notranslate"><span class="pre">2&amp;&gt;1</span></code>, but this does not work with the main.py method. An alternative here is to open a terminal and run it there.</p>
 <div class="cell docutils container">
@@ -869,13 +878,8 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:43:10 (INFO): Total time taken: 6.720050811767578
-</pre></div>
-</div>
 </div>
-</div>
-<p>The mass inference approach takes 1-2 minutes to run. See the output <a class="reference download internal" download="" href="../_downloads/819e10305ddd6839cd7da05935b17060/mass-inference.txt"><span class="xref download myst">here</span></a>.</p>
+<p>The mass inference approach takes 1-2 minutes to run. See the output <a class="reference internal" href="#./mass-inference.txt"><span class="xref myst">here</span></a>.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
 <div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">results</span> <span class="o">=</span> <span class="o">!</span><span class="w"> </span>grep<span class="w"> </span><span class="s2">&quot;  results_dir:&quot;</span><span class="w"> </span>mass-inference.txt
@@ -892,11 +896,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&#39;energy&#39;, &#39;forces&#39;, &#39;chunk_idx&#39;, &#39;ids&#39;]
-</pre></div>
-</div>
-</div>
 </div>
 <p>It is not obvious, but the data from mass inference is not in the same order. We have to get an id from the mass inference, and then “resort” the results so they are in the same order.</p>
 <div class="cell docutils container">
@@ -907,13 +906,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([ 0,  1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16,
-       17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33,
-       34, 35, 36, 37, 38, 39])
-</pre></div>
-</div>
-</div>
 </div>
 <p>To compare this with the results, we need to get the energy data from the ase db.</p>
 <div class="cell docutils container">
@@ -938,9 +930,6 @@ <h1>Fast batched inference<a class="headerlink" href="#fast-batched-inference" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<img alt="../_images/491a4ff16d502a177f28a3afedcadbe21195ace143de8dfdbff2ea184620f080.png" src="../_images/491a4ff16d502a177f28a3afedcadbe21195ace143de8dfdbff2ea184620f080.png" />
-</div>
 </div>
 </section>
 <section class="tex2jax_ignore mathjax_ignore" id="the-ase-calculator-way">
@@ -957,17 +946,6 @@ <h1>The ASE calculator way<a class="headerlink" href="#the-ase-calculator-way" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:Scale factor comment not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
-</pre></div>
-</div>
-</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -984,107 +962,6 @@ <h1>The ASE calculator way<a class="headerlink" href="#the-ase-calculator-way" t
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>0it [00:00, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>1it [00:00,  3.30it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>3it [00:00,  7.11it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>5it [00:00,  8.76it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>6it [00:00,  8.90it/s]
-</pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>7it [00:00,  6.85it/s]
-</pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>8it [00:01,  4.97it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>9it [00:01,  5.17it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>10it [00:01,  5.61it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>11it [00:01,  5.71it/s]
-</pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>12it [00:02,  4.00it/s]
-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>40it [00:07,  5.63it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time 7e+00 seconds
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
 </div>
 <p>This takes at least twice as long as the mass-inference approach above. It is conceptually simpler though, and does not require resorting.</p>
 <div class="cell docutils container">
@@ -1095,9 +972,6 @@ <h1>The ASE calculator way<a class="headerlink" href="#the-ase-calculator-way" t
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 </div>
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 <section class="tex2jax_ignore mathjax_ignore" id="comparing-ase-calculator-and-main-py">
@@ -1111,11 +985,6 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
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 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>55.27523905515671
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 <div class="cell docutils container">
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@@ -1123,11 +992,6 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
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-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>(-193.88654327392578, 193.88654327392575)
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 <div class="cell docutils container">
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@@ -1135,9 +999,6 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
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-</div>
 </div>
 <p>Here we see many of the differences are very small. 0.0078125 = 1 / 128, and these errors strongly suggest some kind of mixed precision is responsible for these differences. It is an open issue to remove them and identify where the cause is.</p>
 <div class="cell docutils container">
@@ -1146,23 +1007,6 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
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-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([[ 1.52587891e-05, -8.73511658e+01, -1.01347488e+02, ...,
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-       [ 1.01347504e+02,  1.39963226e+01,  0.00000000e+00, ...,
-         8.64271469e+01,  6.41591339e+01,  7.21967545e+01],
-       ...,
-       [ 1.49203568e+01, -7.24308243e+01, -8.64271469e+01, ...,
-         0.00000000e+00, -2.22680130e+01, -1.42303925e+01],
-       [ 3.71883698e+01, -5.01628113e+01, -6.41591339e+01, ...,
-         2.22680130e+01,  0.00000000e+00,  8.03762054e+00],
-       [ 2.91507492e+01, -5.82004318e+01, -7.21967545e+01, ...,
-         1.42303925e+01, -8.03762054e+00,  0.00000000e+00]])
-</pre></div>
-</div>
-</div>
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 </section>
 
@@ -1193,7 +1037,7 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
               
               
               
-                <footer class="prev-next-footer">
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@@ -1282,8 +1126,8 @@ <h1>Comparing ASE calculator and main.py<a class="headerlink" href="#comparing-a
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diff --git a/core/install.html b/core/install.html
index 628800e50..01f473e21 100644
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
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 </form></div>
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@@ -139,6 +140,8 @@
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+    
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_database/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a></li>
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-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-9" name="toctree-checkbox-9" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-9"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/exponential_moving_average/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/loss/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/normalizer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
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-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-10" name="toctree-checkbox-10" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-10"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/preprocessing/atoms_to_graphs/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></a></li>
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-</li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/download_data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_challenge_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_lmdb_sizes/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_ef/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_relaxed/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/uncompress/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/tasks/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-12" name="toctree-checkbox-12" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-12"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-</ul>
-</li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/ocp_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.core</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/tests/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.tests</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.structure_generator</span></code></a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
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-</li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/utils/index.html">core.common.utils</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
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 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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+              <div class="bd-header-article d-print-none">
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   <span class="fa-solid fa-bars"></span>
-</label></div>
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -748,7 +754,7 @@ <h3>Cloning and installing the git repository on windows<a class="headerlink" hr
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -844,8 +850,8 @@ <h3>Cloning and installing the git repository on windows<a class="headerlink" hr
   </div>
   
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-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/core/intro_series.html b/core/intro_series.html
index 080434cf3..5f005913b 100644
--- a/core/intro_series.html
+++ b/core/intro_series.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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-    Back to top
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+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
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 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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@@ -647,7 +653,7 @@ <h1>Why model atoms for climate?<a class="headerlink" href="#why-model-atoms-for
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -675,8 +681,6 @@ <h1>Why model atoms for climate?<a class="headerlink" href="#why-model-atoms-for
             
             
               
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diff --git a/core/license.html b/core/license.html
index b4eac9dcf..11ea6979a 100644
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@@ -72,27 +72,23 @@
 
   
   
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@@ -114,8 +110,13 @@
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 </form></div>
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+
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@@ -139,6 +140,8 @@
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,7 +589,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -661,7 +667,7 @@ <h1>License<a class="headerlink" href="#license" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -689,8 +695,6 @@ <h1>License<a class="headerlink" href="#license" title="Link to this heading">#<
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -734,8 +738,8 @@ <h1>License<a class="headerlink" href="#license" title="Link to this heading">#<
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/lmdb_dataset_creation.html b/core/lmdb_dataset_creation.html
index da13a7dff..9f77ad064 100644
--- a/core/lmdb_dataset_creation.html
+++ b/core/lmdb_dataset_creation.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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   <!-- Loaded before other Sphinx assets -->
-  <link href="../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=a3416100" />
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     <link rel="stylesheet" type="text/css" href="../_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="../_static/doctools.js?v=9a2dae69"></script>
     <script src="../_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../_static/copybutton.js?v=f281be69"></script>
-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/logger/index.html">core.common.logger</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -680,6 +686,10 @@ <h2>Generate toy dataset: Relaxation of CO on Cu<a class="headerlink" href="#gen
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2443/901556023.py:8: DeprecationWarning: Please use atoms.calc = calc
+  adslab.set_calculator(EMT())
+</pre></div>
+</div>
 <div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>False
 </pre></div>
 </div>
@@ -818,7 +828,7 @@ <h3>Write data to LMDB<a class="headerlink" href="#write-data-to-lmdb" title="Li
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106684715, forces=[14, 3], fixed=[14], pos_relaxed=[14, 3], sid=0)
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106683787, forces=[14, 3], fixed=[14], pos_relaxed=[14, 3], sid=0)
 </pre></div>
 </div>
 </div>
@@ -891,49 +901,40 @@ <h2>Structure to Energy and Forces (S2EF) LMDBs<a class="headerlink" href="#stru
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1001 [00:00&lt;?, ?it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  7%|▋         | 70/1001 [00:00&lt;00:01, 691.39it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 14%|█▍        | 141/1001 [00:00&lt;00:01, 702.07it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 21%|██        | 212/1001 [00:00&lt;00:01, 687.76it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 28%|██▊       | 282/1001 [00:00&lt;00:01, 691.82it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  7%|▋         | 74/1001 [00:00&lt;00:01, 737.45it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 35%|███▌      | 352/1001 [00:00&lt;00:00, 686.21it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 16%|█▌        | 160/1001 [00:00&lt;00:01, 807.79it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 42%|████▏     | 424/1001 [00:00&lt;00:00, 696.57it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 24%|██▍       | 244/1001 [00:00&lt;00:00, 822.10it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 50%|████▉     | 496/1001 [00:00&lt;00:00, 703.02it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 33%|███▎      | 331/1001 [00:00&lt;00:00, 840.07it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 57%|█████▋    | 567/1001 [00:00&lt;00:00, 686.72it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 42%|████▏     | 419/1001 [00:00&lt;00:00, 852.14it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 64%|██████▎   | 636/1001 [00:00&lt;00:00, 686.03it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 51%|█████     | 507/1001 [00:00&lt;00:00, 858.72it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 71%|███████   | 708/1001 [00:01&lt;00:00, 693.64it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 59%|█████▉    | 593/1001 [00:00&lt;00:00, 852.14it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 78%|███████▊  | 781/1001 [00:01&lt;00:00, 703.98it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 68%|██████▊   | 679/1001 [00:00&lt;00:00, 853.39it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 86%|████████▌ | 856/1001 [00:01&lt;00:00, 716.00it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 76%|███████▋  | 765/1001 [00:00&lt;00:00, 854.42it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 93%|█████████▎| 928/1001 [00:01&lt;00:00, 706.98it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 85%|████████▌ | 851/1001 [00:01&lt;00:00, 853.42it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|█████████▉| 999/1001 [00:01&lt;00:00, 706.97it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 94%|█████████▎| 938/1001 [00:01&lt;00:00, 857.00it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1001/1001 [00:01&lt;00:00, 698.78it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1001/1001 [00:01&lt;00:00, 847.73it/s]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -961,7 +962,7 @@ <h2>Structure to Energy and Forces (S2EF) LMDBs<a class="headerlink" href="#stru
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106684715, forces=[14, 3], fixed=[14], sid=[1], fid=[1], id=&#39;0_0&#39;)
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106683787, forces=[14, 3], fixed=[14], sid=[1], fid=[1], id=&#39;0_0&#39;)
 </pre></div>
 </div>
 </div>
@@ -989,7 +990,7 @@ <h2>Interacting with the LMDBs<a class="headerlink" href="#interacting-with-the-
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106684715, forces=[14, 3], fixed=[14], sid=[1], fid=[1], id=&#39;0_0&#39;)
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106683787, forces=[14, 3], fixed=[14], sid=[1], fid=[1], id=&#39;0_0&#39;)
 </pre></div>
 </div>
 </div>
@@ -1050,7 +1051,7 @@ <h2>Interacting with the LMDBs<a class="headerlink" href="#interacting-with-the-
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1147,8 +1148,8 @@ <h2>Interacting with the LMDBs<a class="headerlink" href="#interacting-with-the-
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/model_checkpoints.html b/core/model_checkpoints.html
index 59029dbe1..d6abb4077 100644
--- a/core/model_checkpoints.html
+++ b/core/model_checkpoints.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
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-  <link href="../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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@@ -141,6 +142,8 @@
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@@ -156,7 +159,7 @@
 
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@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
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@@ -585,14 +591,14 @@
 
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 </div></div>
       
     </div>
@@ -674,7 +680,7 @@ <h1>Open Catalyst 2020 (OC20)<a class="headerlink" href="#open-catalyst-2020-oc2
 </ul>
 <section id="s2ef-models-optimized-for-efwt">
 <h2>S2EF models: optimized for EFwT<a class="headerlink" href="#s2ef-models-optimized-for-efwt" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -918,10 +924,11 @@ <h2>S2EF models: optimized for EFwT<a class="headerlink" href="#s2ef-models-opti
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="s2ef-models-optimized-for-force-only">
 <h2>S2EF models: optimized for force only<a class="headerlink" href="#s2ef-models-optimized-for-force-only" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -963,10 +970,11 @@ <h2>S2EF models: optimized for force only<a class="headerlink" href="#s2ef-model
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="is2re-models">
 <h2>IS2RE models<a class="headerlink" href="#is2re-models" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -1056,6 +1064,7 @@ <h2>IS2RE models<a class="headerlink" href="#is2re-models" title="Link to this h
 </tr>
 </tbody>
 </table>
+</div>
 <p>The Open Catalyst 2020 (OC20) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
 <p>Please consider citing the following paper in any research manuscript using the
 OC20 dataset or pretrained models, as well as the original paper for each model:</p>
@@ -1079,7 +1088,7 @@ <h1>Open Catalyst 2022 (OC22)<a class="headerlink" href="#open-catalyst-2022-oc2
 </ul>
 <section id="s2ef-total-models">
 <h2>S2EF-Total models<a class="headerlink" href="#s2ef-total-models" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -1134,6 +1143,7 @@ <h2>S2EF-Total models<a class="headerlink" href="#s2ef-total-models" title="Link
 </tr>
 </tbody>
 </table>
+</div>
 <p>The Open Catalyst 2022 (OC22) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
 <p>Please consider citing the following paper in any research manuscript using the
 OC22 dataset or pretrained models, as well as the original paper for each model:</p>
@@ -1154,7 +1164,7 @@ <h2>Open Direct Air Capture 2023 (ODAC23)<a class="headerlink" href="#open-direc
 </section>
 <section id="s2ef-models">
 <h2>S2EF models<a class="headerlink" href="#s2ef-models" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -1200,10 +1210,11 @@ <h2>S2EF models<a class="headerlink" href="#s2ef-models" title="Link to this hea
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 <section id="is2re-direct-models">
 <h2>IS2RE Direct models<a class="headerlink" href="#is2re-direct-models" title="Link to this heading">#</a></h2>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Model Name</p></th>
 <th class="head"><p>Model</p></th>
@@ -1229,6 +1240,7 @@ <h2>IS2RE Direct models<a class="headerlink" href="#is2re-direct-models" title="
 </tr>
 </tbody>
 </table>
+</div>
 <p>The models in the table above were trained to predict relaxed energy directly. Relaxed energies can also be predicted by running structural relaxations using the S2EF models from the previous section.</p>
 </section>
 <section id="is2rs">
@@ -1274,7 +1286,7 @@ <h2>IS2RS<a class="headerlink" href="#is2rs" title="Link to this heading">#</a><
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1375,8 +1387,8 @@ <h2>IS2RS<a class="headerlink" href="#is2rs" title="Link to this heading">#</a><
   </div>
   
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diff --git a/core/model_faq.html b/core/model_faq.html
index 14fbdf50b..40f1a2fda 100644
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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           class="sidebar-toggle"
-          name="__secondary"
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-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a></li>
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-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-9" name="toctree-checkbox-9" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-9"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/exponential_moving_average/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/loss/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/normalizer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
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-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-10" name="toctree-checkbox-10" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-10"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/download_data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_challenge_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/make_lmdb_sizes/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_ef/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/ocp_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.databases</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/tests/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.tests</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.oc.structure_generator</span></code></a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/odac/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.odac</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
-</ul>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
-</ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.models</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
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-</li>
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-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
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-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="../_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/typing/index.html">core.common.typing</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -1025,7 +1031,7 @@ <h3>S2EF-Total/IS2RE-Total:<a class="headerlink" href="#s2ef-total-is2re-total"
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1141,8 +1147,8 @@ <h3>S2EF-Total/IS2RE-Total:<a class="headerlink" href="#s2ef-total-is2re-total"
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/core/ocpapi.html b/core/ocpapi.html
index 20ead55c9..d12054652 100644
--- a/core/ocpapi.html
+++ b/core/ocpapi.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="../_static/documentation_options.js?v=9eb32ce0"></script>
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     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../_static/copybutton.js?v=f281be69"></script>
-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -653,6 +659,20 @@ <h2>Installation<a class="headerlink" href="#installation" title="Link to this h
 </pre></div>
 </div>
 </div>
+<div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span><span class=" -Color -Color-Red">ERROR: pip&#39;s dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts.</span>
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>pymatgen 2024.6.10 requires requests&gt;=2.32, but you have requests 2.31.0 which is incompatible.
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>fairchem-demo-ocpapi 0.1.dev1+g3d04ca9 requires requests==2.32.0, but you have requests 2.31.0 which is incompatible.
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
+</pre></div>
+</div>
+</div>
 </div>
 </section>
 <section id="quickstart">
@@ -933,7 +953,7 @@ <h2>Citing <code class="docutils literal notranslate"><span class="pre">ocpapi</
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1036,8 +1056,8 @@ <h2>Citing <code class="docutils literal notranslate"><span class="pre">ocpapi</
   </div>
   
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+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/core/papers_using_models.html b/core/papers_using_models.html
index b872d265c..15c0c5ef5 100644
--- a/core/papers_using_models.html
+++ b/core/papers_using_models.html
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-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=a3416100" />
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+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/utils/index.html">core.common.utils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/_utils/index.html">core.datasets._utils</a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a></li>
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+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/schnet/index.html">core.models.schnet</a></li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-9" name="toctree-checkbox-9" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-9"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scheduler/index.html">core.modules.scheduler</a></li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-10" name="toctree-checkbox-10" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-10"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -646,7 +652,7 @@ <h1>Studies that have leveraged OCP models<a class="headerlink" href="#studies-t
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -674,8 +680,6 @@ <h1>Studies that have leveraged OCP models<a class="headerlink" href="#studies-t
             
             
               
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-              
             
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diff --git a/core/quickstart.html b/core/quickstart.html
index 06a4d6589..74355f62a 100644
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   <div class="search-button__wrapper">
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html">core._cli</a></li>
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,7 +589,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -694,56 +700,60 @@ <h1>Using pre-trained models in ASE<a class="headerlink" href="#using-pre-traine
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 19:43:49     -110.398659        1.6307
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2505/3462928393.py:13: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:43:49     -110.545036        0.9250
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:06:54     -110.398659        1.630680
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:43:50     -110.622719        0.5629
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:06:54     -110.545036        0.925020
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:43:50     -110.613007        0.5830
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:06:55     -110.622719        0.562895
 </pre></div>
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:43:50     -110.641937        0.4612
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:43:51     -110.723862        0.5928
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:43:52     -110.764206        0.7120
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:43:52     -110.869545        0.5228
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:43:52     -110.938713        0.1706
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+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:07:00     -111.010895        0.035077
 </pre></div>
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@@ -779,7 +789,7 @@ <h1>Using pre-trained models in ASE<a class="headerlink" href="#using-pre-traine
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -807,8 +817,6 @@ <h1>Using pre-trained models in ASE<a class="headerlink" href="#using-pre-traine
             
             
               
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-              
             
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@@ -852,8 +860,8 @@ <h1>Using pre-trained models in ASE<a class="headerlink" href="#using-pre-traine
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diff --git a/execution_time.html b/execution_time.html
index 7ecc1b2d2..f79a20d31 100644
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-    <link rel="prev" title="ocpapi.version" href="autoapi/ocpapi/version/index.html" />
+    <link rel="prev" title="cattsunami.databases" href="autoapi/cattsunami/databases/index.html" />
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@@ -71,27 +71,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
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-          name="__primary"
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-  <label class="overlay overlay-primary" for="__primary"></label>
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+
   
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -138,6 +139,8 @@
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+    
+  
 
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@@ -241,7 +244,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l3"><a class="reference internal" href="autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="current nav bd-sidenav">
@@ -430,7 +436,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
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 <script>
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     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -616,7 +622,7 @@ <h1>Notebook execution times</h1>
 <h1>Notebook execution times<a class="headerlink" href="#notebook-execution-times" title="Link to this heading">#</a></h1>
 <p>To help with debugging, we also provide the time to execute each of the notebooks in this repo on CPU. This should
 give you an idea how long each one will take to run start-to-finish!</p>
-<table class="table">
+<div class="pst-scrollable-table-container"><table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Document</p></th>
 <th class="head"><p>Modified</p></th>
@@ -627,103 +633,104 @@ <h1>Notebook execution times<a class="headerlink" href="#notebook-execution-time
 </thead>
 <tbody>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="core/fine-tuning/fine-tuning-oxides.html"><span class="doc">core/fine-tuning/fine-tuning-oxides</span></a></p></td>
-<td><p>2024-05-17 19:42</p></td>
+<td><p>2024-06-26 19:05</p></td>
 <td><p>auto</p></td>
-<td><p>372.09</p></td>
-<td><p>✅</p></td>
+<td><p>87.12</p></td>
+<td><p><abbr title="CellExecutionError">❌</abbr></p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="core/gotchas.html"><span class="doc">core/gotchas</span></a></p></td>
-<td><p>2024-05-17 19:42</p></td>
+<td><p>2024-06-26 19:06</p></td>
 <td><p>auto</p></td>
-<td><p>37.03</p></td>
+<td><p>36.82</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="core/inference.html"><span class="doc">core/inference</span></a></p></td>
-<td><p>2024-05-17 19:43</p></td>
+<td><p>2024-06-26 19:06</p></td>
 <td><p>auto</p></td>
-<td><p>39.39</p></td>
-<td><p>✅</p></td>
+<td><p>5.9</p></td>
+<td><p><abbr title="CellExecutionError">❌</abbr></p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="core/lmdb_dataset_creation.html"><span class="doc">core/lmdb_dataset_creation</span></a></p></td>
-<td><p>2024-05-17 19:43</p></td>
+<td><p>2024-06-26 19:06</p></td>
 <td><p>auto</p></td>
-<td><p>14.37</p></td>
+<td><p>11.3</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="core/ocpapi.html"><span class="doc">core/ocpapi</span></a></p></td>
-<td><p>2024-05-17 19:43</p></td>
+<td><p>2024-06-26 19:06</p></td>
 <td><p>auto</p></td>
-<td><p>4.1</p></td>
+<td><p>3.38</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="core/quickstart.html"><span class="doc">core/quickstart</span></a></p></td>
-<td><p>2024-05-17 19:43</p></td>
+<td><p>2024-06-26 19:07</p></td>
 <td><p>auto</p></td>
-<td><p>15.5</p></td>
+<td><p>14.8</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="legacy_tutorials/OCP_Tutorial.html"><span class="doc">legacy_tutorials/OCP_Tutorial</span></a></p></td>
-<td><p>2024-05-17 19:58</p></td>
+<td><p>2024-06-26 19:07</p></td>
 <td><p>auto</p></td>
-<td><p>846.27</p></td>
-<td><p>✅</p></td>
+<td><p>9.1</p></td>
+<td><p><abbr title="CellExecutionError">❌</abbr></p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="legacy_tutorials/data_preprocessing.html"><span class="doc">legacy_tutorials/data_preprocessing</span></a></p></td>
-<td><p>2024-05-17 19:58</p></td>
+<td><p>2024-06-26 19:07</p></td>
 <td><p>auto</p></td>
-<td><p>14.25</p></td>
+<td><p>10.38</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="legacy_tutorials/data_visualization.html"><span class="doc">legacy_tutorials/data_visualization</span></a></p></td>
-<td><p>2024-05-17 19:59</p></td>
+<td><p>2024-06-26 19:08</p></td>
 <td><p>auto</p></td>
-<td><p>48.0</p></td>
-<td><p>✅</p></td>
+<td><p>44.49</p></td>
+<td><p><abbr title="CellExecutionError">❌</abbr></p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="tutorials/NRR/NRR_example.html"><span class="doc">tutorials/NRR/NRR_example</span></a></p></td>
-<td><p>2024-05-17 20:11</p></td>
+<td><p>2024-06-26 19:20</p></td>
 <td><p>auto</p></td>
-<td><p>729.29</p></td>
+<td><p>740.29</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="tutorials/OCP-introduction.html"><span class="doc">tutorials/OCP-introduction</span></a></p></td>
-<td><p>2024-05-17 20:15</p></td>
+<td><p>2024-06-26 19:24</p></td>
 <td><p>auto</p></td>
-<td><p>247.01</p></td>
+<td><p>238.07</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="tutorials/adsorbml_walkthrough.html"><span class="doc">tutorials/adsorbml_walkthrough</span></a></p></td>
-<td><p>2024-05-17 20:23</p></td>
+<td><p>2024-06-26 19:31</p></td>
 <td><p>auto</p></td>
-<td><p>470.94</p></td>
+<td><p>417.19</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="tutorials/advanced/embeddings.html"><span class="doc">tutorials/advanced/embeddings</span></a></p></td>
-<td><p>2024-05-17 20:24</p></td>
+<td><p>2024-06-26 19:32</p></td>
 <td><p>auto</p></td>
-<td><p>88.03</p></td>
+<td><p>84.69</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="tutorials/advanced/fine-tuning-in-python.html"><span class="doc">tutorials/advanced/fine-tuning-in-python</span></a></p></td>
-<td><p>2024-05-17 20:28</p></td>
+<td><p>2024-06-26 19:32</p></td>
 <td><p>auto</p></td>
-<td><p>219.59</p></td>
-<td><p>✅</p></td>
+<td><p>11.7</p></td>
+<td><p><abbr title="CellExecutionError">❌</abbr></p></td>
 </tr>
 <tr class="row-even"><td><p><a class="xref doc reference internal" href="tutorials/cattsunami_walkthrough.html"><span class="doc">tutorials/cattsunami_walkthrough</span></a></p></td>
-<td><p>2024-05-17 20:28</p></td>
+<td><p>2024-06-26 19:33</p></td>
 <td><p>auto</p></td>
-<td><p>0.81</p></td>
+<td><p>0.77</p></td>
 <td><p>✅</p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="xref doc reference internal" href="tutorials/intro.html"><span class="doc">tutorials/intro</span></a></p></td>
-<td><p>2024-05-17 20:28</p></td>
+<td><p>2024-06-26 19:33</p></td>
 <td><p>auto</p></td>
-<td><p>4.28</p></td>
+<td><p>3.91</p></td>
 <td><p>✅</p></td>
 </tr>
 </tbody>
 </table>
+</div>
 </section>
 
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@@ -753,16 +760,16 @@ <h1>Notebook execution times<a class="headerlink" href="#notebook-execution-time
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="autoapi/ocpapi/version/index.html"
+       href="autoapi/cattsunami/databases/index.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></p>
+        <p class="prev-next-title">cattsunami.databases</p>
       </div>
     </a>
 </div>
@@ -772,8 +779,6 @@ <h1>Notebook execution times<a class="headerlink" href="#notebook-execution-time
             
             
               
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-              
             
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@@ -817,8 +822,8 @@ <h1>Notebook execution times<a class="headerlink" href="#notebook-execution-time
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diff --git a/genindex.html b/genindex.html
index bb878b92b..544a413af 100644
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+++ b/genindex.html
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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@@ -69,27 +69,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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-          id="__secondary"/>
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -111,8 +107,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -138,6 +139,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -153,7 +156,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -241,7 +244,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -250,8 +253,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -261,8 +264,8 @@
 
 
 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -284,133 +287,136 @@
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/utils/index.html">core.models.utils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-13" name="toctree-checkbox-13" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-13"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html">core._cli</a></li>
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-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l3"><a class="reference internal" href="autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
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-<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
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-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -430,7 +436,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -439,14 +445,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -523,10 +529,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -534,7 +540,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -3088,6 +3094,13 @@ <h2 id="D">D</h2>
 
       <ul>
         <li><a href="autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html#module-data.odac.promising_mof.promising_mof_energies.energy">module</a>
+</li>
+      </ul></li>
+      <li>
+    data.odac.setup_vasp
+
+      <ul>
+        <li><a href="autoapi/data/odac/setup_vasp/index.html#module-data.odac.setup_vasp">module</a>
 </li>
       </ul></li>
   </ul></td>
@@ -4604,14 +4617,14 @@ <h2 id="L">L</h2>
         <li><a href="autoapi/core/trainers/index.html#core.trainers.BaseTrainer.load_model">(core.trainers.BaseTrainer method)</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/core/trainers/base_trainer/index.html#core.trainers.base_trainer.BaseTrainer.load_optimizer">load_optimizer() (core.trainers.base_trainer.BaseTrainer method)</a>
 
       <ul>
         <li><a href="autoapi/core/trainers/index.html#core.trainers.BaseTrainer.load_optimizer">(core.trainers.BaseTrainer method)</a>
 </li>
       </ul></li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/core/modules/scaling/compat/index.html#core.modules.scaling.compat.load_scales_compat">load_scales_compat() (in module core.modules.scaling.compat)</a>
 </li>
       <li><a href="autoapi/core/trainers/base_trainer/index.html#core.trainers.base_trainer.BaseTrainer.load_seed_from_config">load_seed_from_config() (core.trainers.base_trainer.BaseTrainer method)</a>
@@ -4652,6 +4665,14 @@ <h2 id="L">L</h2>
         <li><a href="autoapi/core/common/logger/index.html#core.common.logger.TensorboardLogger.log_plots">(core.common.logger.TensorboardLogger method)</a>
 </li>
         <li><a href="autoapi/core/common/logger/index.html#core.common.logger.WandBLogger.log_plots">(core.common.logger.WandBLogger method)</a>
+</li>
+      </ul></li>
+      <li><a href="autoapi/core/common/logger/index.html#core.common.logger.Logger.log_summary">log_summary() (core.common.logger.Logger method)</a>
+
+      <ul>
+        <li><a href="autoapi/core/common/logger/index.html#core.common.logger.TensorboardLogger.log_summary">(core.common.logger.TensorboardLogger method)</a>
+</li>
+        <li><a href="autoapi/core/common/logger/index.html#core.common.logger.WandBLogger.log_summary">(core.common.logger.WandBLogger method)</a>
 </li>
       </ul></li>
       <li><a href="autoapi/core/common/logger/index.html#core.common.logger.Logger">Logger (class in core.common.logger)</a>
@@ -5223,6 +5244,8 @@ <h2 id="M">M</h2>
         <li><a href="autoapi/data/odac/force_field/FF_analysis/index.html#module-data.odac.force_field.FF_analysis">data.odac.force_field.FF_analysis</a>
 </li>
         <li><a href="autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html#module-data.odac.promising_mof.promising_mof_energies.energy">data.odac.promising_mof.promising_mof_energies.energy</a>
+</li>
+        <li><a href="autoapi/data/odac/setup_vasp/index.html#module-data.odac.setup_vasp">data.odac.setup_vasp</a>
 </li>
         <li><a href="autoapi/data/om/index.html#module-data.om">data.om</a>
 </li>
@@ -5264,6 +5287,8 @@ <h2 id="M">M</h2>
   </ul></td>
   <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/core/models/equiformer_v2/module_list/index.html#core.models.equiformer_v2.module_list.ModuleListInfo">ModuleListInfo (class in core.models.equiformer_v2.module_list)</a>
+</li>
+      <li><a href="autoapi/data/odac/setup_vasp/index.html#data.odac.setup_vasp.mof">mof (in module data.odac.setup_vasp)</a>
 </li>
       <li><a href="autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html#data.odac.promising_mof.promising_mof_energies.energy.mof_name">mof_name (in module data.odac.promising_mof.promising_mof_energies.energy)</a>
 </li>
@@ -5909,8 +5934,6 @@ <h2 id="R">R</h2>
         <li><a href="autoapi/core/models/gemnet_gp/index.html#core.models.gemnet_gp.GraphParallelGemNetT.reorder_symmetric_edges">(core.models.gemnet_gp.GraphParallelGemNetT method)</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/core/models/gemnet/utils/index.html#core.models.gemnet.utils.repeat_blocks">repeat_blocks() (in module core.models.gemnet.utils)</a>
 
       <ul>
@@ -5921,6 +5944,8 @@ <h2 id="R">R</h2>
         <li><a href="autoapi/core/models/painn/utils/index.html#core.models.painn.utils.repeat_blocks">(in module core.models.painn.utils)</a>
 </li>
       </ul></li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/ocpapi/client/client/index.html#ocpapi.client.client.RequestException">RequestException</a>, <a href="autoapi/ocpapi/client/index.html#ocpapi.client.RequestException">[1]</a>, <a href="autoapi/ocpapi/index.html#ocpapi.RequestException">[2]</a>
 </li>
       <li><a href="autoapi/core/datasets/lmdb_database/index.html#core.datasets.lmdb_database.RESERVED_KEYS">RESERVED_KEYS (in module core.datasets.lmdb_database)</a>
@@ -6060,6 +6085,8 @@ <h2 id="R">R</h2>
 </li>
       </ul></li>
       <li><a href="autoapi/core/_cli/index.html#core._cli.Runner">Runner (class in core._cli)</a>
+</li>
+      <li><a href="autoapi/core/_cli/index.html#core._cli.runner_wrapper">runner_wrapper() (in module core._cli)</a>
 </li>
   </ul></td>
 </tr></table>
@@ -6254,6 +6281,10 @@ <h2 id="S">S</h2>
       <li><a href="autoapi/core/common/utils/index.html#core.common.utils.setup_imports">setup_imports() (in module core.common.utils)</a>
 </li>
       <li><a href="autoapi/core/common/utils/index.html#core.common.utils.setup_logging">setup_logging() (in module core.common.utils)</a>
+</li>
+      <li><a href="autoapi/data/odac/setup_vasp/index.html#data.odac.setup_vasp.setup_vasp_calc_mof">setup_vasp_calc_mof() (in module data.odac.setup_vasp)</a>
+</li>
+      <li><a href="autoapi/data/odac/setup_vasp/index.html#data.odac.setup_vasp.setup_vasp_mof_and_ads">setup_vasp_mof_and_ads() (in module data.odac.setup_vasp)</a>
 </li>
       <li><a href="autoapi/core/common/utils/index.html#core.common.utils.SeverityLevelBetween">SeverityLevelBetween (class in core.common.utils)</a>
 </li>
@@ -6889,7 +6920,7 @@ <h2 id="W">W</h2>
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -6899,8 +6930,6 @@ <h2 id="W">W</h2>
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -6944,8 +6973,8 @@ <h2 id="W">W</h2>
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/index.html b/index.html
index 61c5d4795..0a088132e 100644
--- a/index.html
+++ b/index.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="_static/styles/sphinx-book-theme.css?v=a3416100" />
     <link rel="stylesheet" type="text/css" href="_static/togglebutton.css?v=13237357" />
     <link rel="stylesheet" type="text/css" href="_static/copybutton.css?v=76b2166b" />
     <link rel="stylesheet" type="text/css" href="_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css" />
     <link rel="stylesheet" type="text/css" href="_static/sphinx-thebe.css?v=4fa983c6" />
     <link rel="stylesheet" type="text/css" href="_static/graphviz.css?v=fd3f3429" />
-    <link rel="stylesheet" type="text/css" href="_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
     <script src="_static/sphinx_highlight.js?v=dc90522c"></script>
     <script src="_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="_static/copybutton.js?v=f281be69"></script>
-    <script src="_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="_static/design-tabs.js?v=36754332"></script>
+    <script src="_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -73,27 +73,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -115,8 +111,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -142,6 +143,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="#">
   
@@ -157,7 +160,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -245,7 +248,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -254,8 +257,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -265,8 +268,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -288,133 +291,136 @@
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/data/oc/core/index.html">data.oc.core</a></li>
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+</ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+</ul>
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+<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
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+</ul>
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-    <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
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@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
+</details></li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
 <li class="toctree-l2 current active"><a class="current reference internal" href="#">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
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+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -1033,312 +1039,315 @@ <h3>Structural relaxations<a class="headerlink" href="#structural-relaxations" t
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>       Step     Time          Energy         fmax
-*Force-consistent energies used in optimization.
-LBFGS:    0 19:44:00       15.804700*       6.7764
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>       Step     Time          Energy          fmax
+LBFGS:    0 19:07:05       15.804700        6.776430
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    1 19:44:01       12.190607*       4.3232
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    1 19:07:05       12.190607        4.323222
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    2 19:44:01       10.240169*       2.2655
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    2 19:07:05       10.240169        2.265527
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    3 19:44:01        9.779223*       0.9372
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    3 19:07:05        9.779223        0.937247
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    4 19:44:01        9.671525*       0.7702
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    4 19:07:05        9.671525        0.770173
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    5 19:44:01        9.574461*       0.6635
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    5 19:07:05        9.574461        0.663540
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    6 19:44:01        9.537502*       0.5718
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    6 19:07:05        9.537502        0.571800
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    7 19:44:01        9.516673*       0.4466
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    7 19:07:05        9.516673        0.446620
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    8 19:44:01        9.481330*       0.4611
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    8 19:07:05        9.481330        0.461143
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    9 19:44:01        9.462255*       0.2931
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    9 19:07:05        9.462255        0.293081
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   10 19:44:01        9.448937*       0.2490
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   10 19:07:05        9.448937        0.249010
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   11 19:44:01        9.433813*       0.2371
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   11 19:07:05        9.433813        0.237051
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   12 19:44:01        9.418884*       0.2602
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   12 19:07:05        9.418884        0.260245
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   13 19:44:01        9.409649*       0.2532
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   13 19:07:06        9.409649        0.253162
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   14 19:44:01        9.404838*       0.1624
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   14 19:07:06        9.404838        0.162398
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   15 19:44:01        9.401753*       0.1823
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   15 19:07:06        9.401753        0.182298
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   16 19:44:01        9.397314*       0.2592
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2536/1024241553.py:23: DeprecationWarning: Please use atoms.calc = calc
+  adslab.set_calculator(EMT())
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   17 19:44:01        9.387947*       0.3450
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   16 19:07:06        9.397314        0.259163
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   18 19:44:01        9.370825*       0.4070
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   17 19:07:06        9.387947        0.345022
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   19 19:44:01        9.342222*       0.4333
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   18 19:07:06        9.370825        0.407041
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   20 19:44:01        9.286822*       0.5002
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   19 19:07:06        9.342222        0.433340
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   21 19:44:01        9.249910*       0.5241
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   20 19:07:06        9.286822        0.500200
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   22 19:44:01        9.187179*       0.5120
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   21 19:07:06        9.249910        0.524052
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   23 19:44:01        9.124811*       0.5718
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   22 19:07:06        9.187179        0.511994
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   24 19:44:01        9.066185*       0.5409
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   23 19:07:06        9.124811        0.571796
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   25 19:44:01        9.000116*       1.0798
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   24 19:07:06        9.066185        0.540934
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   26 19:44:01        8.893632*       0.7528
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   25 19:07:06        9.000116        1.079833
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   27 19:44:01        8.845939*       0.3321
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   26 19:07:06        8.893632        0.752759
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   28 19:44:01        8.815173*       0.2512
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   27 19:07:06        8.845939        0.332051
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   29 19:44:02        8.808721*       0.2143
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   28 19:07:06        8.815173        0.251242
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   30 19:44:02        8.794643*       0.1546
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   29 19:07:06        8.808721        0.214337
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   31 19:44:02        8.789162*       0.2014
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   30 19:07:06        8.794643        0.154611
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   32 19:44:02        8.782320*       0.1755
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   31 19:07:06        8.789162        0.201404
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   33 19:44:02        8.780394*       0.1037
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   32 19:07:06        8.782320        0.175517
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   34 19:44:02        8.778410*       0.1076
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   33 19:07:06        8.780394        0.103718
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   35 19:44:02        8.775079*       0.1797
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   34 19:07:06        8.778410        0.107611
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   36 19:44:02        8.766987*       0.3334
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   35 19:07:06        8.775079        0.179747
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   37 19:44:02        8.750249*       0.5307
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   36 19:07:06        8.766987        0.333401
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   38 19:44:02        8.725928*       0.6851
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   37 19:07:06        8.750249        0.530715
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   39 19:44:02        8.702312*       0.5823
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   38 19:07:06        8.725928        0.685116
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   40 19:44:02        8.661515*       0.3996
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   39 19:07:06        8.702312        0.582260
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   41 19:44:02        8.643432*       0.5585
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   40 19:07:06        8.661515        0.399625
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   42 19:44:02        8.621201*       0.3673
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   41 19:07:06        8.643432        0.558474
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   43 19:44:02        8.614414*       0.1394
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   42 19:07:06        8.621201        0.367288
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   44 19:44:02        8.610785*       0.1372
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   43 19:07:06        8.614414        0.139424
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   45 19:44:02        8.608134*       0.1464
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   44 19:07:06        8.610785        0.137160
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   46 19:44:02        8.604928*       0.1196
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   45 19:07:06        8.608134        0.146375
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   47 19:44:02        8.599151*       0.1354
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   46 19:07:06        8.604928        0.119648
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   48 19:44:02        8.594063*       0.1479
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   47 19:07:06        8.599151        0.135424
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   49 19:44:02        8.589493*       0.1538
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   48 19:07:06        8.594063        0.147913
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   50 19:44:02        8.587274*       0.0885
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   49 19:07:06        8.589493        0.153840
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   51 19:44:02        8.584633*       0.0938
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   50 19:07:06        8.587274        0.088460
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   52 19:44:02        8.580239*       0.1409
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   51 19:07:06        8.584633        0.093750
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   53 19:44:02        8.572938*       0.2543
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   52 19:07:06        8.580239        0.140870
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   54 19:44:02        8.563343*       0.2919
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   53 19:07:06        8.572938        0.254272
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   55 19:44:02        8.554117*       0.1966
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   54 19:07:06        8.563343        0.291885
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   56 19:44:02        8.547597*       0.1291
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   55 19:07:06        8.554117        0.196557
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   57 19:44:02        8.542086*       0.1280
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   56 19:07:06        8.547597        0.129064
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   58 19:44:02        8.535432*       0.0982
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   57 19:07:06        8.542086        0.128020
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   59 19:44:03        8.533622*       0.1277
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   58 19:07:06        8.535432        0.098202
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   60 19:44:03        8.527487*       0.1167
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   59 19:07:06        8.533622        0.127672
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   61 19:44:03        8.523863*       0.1218
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   60 19:07:06        8.527487        0.116729
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   62 19:44:03        8.519229*       0.1305
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   61 19:07:06        8.523863        0.121762
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   63 19:44:03        8.515424*       0.1019
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   62 19:07:06        8.519229        0.130541
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   64 19:44:03        8.511240*       0.2122
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   63 19:07:06        8.515424        0.101902
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   65 19:44:03        8.507967*       0.2666
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   64 19:07:06        8.511240        0.212223
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   66 19:44:03        8.503903*       0.2377
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   65 19:07:06        8.507967        0.266593
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   67 19:44:03        8.497575*       0.1623
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   66 19:07:06        8.503903        0.237734
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   68 19:44:03        8.485434*       0.2022
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   67 19:07:06        8.497575        0.162253
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   69 19:44:03        8.466738*       0.2159
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   68 19:07:06        8.485434        0.202203
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   70 19:44:03        8.467607*       0.3348
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   69 19:07:06        8.466738        0.215895
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   71 19:44:03        8.454037*       0.1063
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   70 19:07:06        8.467607        0.334764
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   72 19:44:03        8.448980*       0.1197
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   71 19:07:06        8.454037        0.106310
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   73 19:44:03        8.446550*       0.0992
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   72 19:07:06        8.448980        0.119721
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   74 19:44:03        8.444705*       0.0562
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   73 19:07:06        8.446550        0.099221
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   75 19:44:03        8.443403*       0.0388
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   74 19:07:06        8.444705        0.056244
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   76 19:44:03        8.442646*       0.0548
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   75 19:07:06        8.443403        0.038831
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   77 19:44:03        8.442114*       0.0614
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   76 19:07:06        8.442646        0.054772
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   78 19:44:03        8.440960*       0.0588
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   77 19:07:06        8.442114        0.061370
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   79 19:44:03        8.439820*       0.0482
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   78 19:07:06        8.440960        0.058800
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   80 19:44:03        8.438600*       0.0513
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   79 19:07:06        8.439820        0.048198
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   81 19:44:03        8.437429*       0.0541
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   80 19:07:06        8.438600        0.051251
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   82 19:44:03        8.435695*       0.0672
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   81 19:07:06        8.437429        0.054130
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   83 19:44:03        8.431957*       0.0857
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   82 19:07:06        8.435695        0.067234
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   84 19:44:03        8.423485*       0.1332
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   83 19:07:06        8.431957        0.085678
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   85 19:44:03        8.413846*       0.2078
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   84 19:07:06        8.423485        0.133240
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   86 19:44:03        8.404849*       0.1787
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   85 19:07:06        8.413846        0.207812
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   87 19:44:03        8.385339*       0.1690
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   86 19:07:06        8.404849        0.178747
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   88 19:44:03        8.386849*       0.1876
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   87 19:07:06        8.385339        0.169017
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   89 19:44:04        8.371078*       0.1181
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   88 19:07:06        8.386849        0.187645
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   90 19:44:04        8.368801*       0.0942
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   89 19:07:06        8.371078        0.118124
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   91 19:44:04        8.366226*       0.0670
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   90 19:07:06        8.368801        0.094222
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   92 19:44:04        8.361680*       0.0550
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   91 19:07:06        8.366226        0.066960
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   93 19:44:04        8.360631*       0.0473
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   92 19:07:06        8.361680        0.054964
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   94 19:44:04        8.359692*       0.0242
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   93 19:07:06        8.360631        0.047342
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   95 19:44:04        8.359361*       0.0155
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   94 19:07:06        8.359692        0.024179
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   96 19:44:04        8.359163*       0.0143
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   95 19:07:06        8.359361        0.015549
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   97 19:44:04        8.359102*       0.0156
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   96 19:07:07        8.359163        0.014284
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   98 19:44:04        8.359048*       0.0155
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   97 19:07:07        8.359102        0.015615
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   99 19:44:04        8.358986*       0.0142
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   98 19:07:07        8.359048        0.015492
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:  100 19:44:04        8.358921*       0.0132
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   99 19:07:07        8.358986        0.014214
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/io/extxyz.py:302: UserWarning: Skipping unhashable information adsorbate_info
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:  100 19:07:07        8.358921        0.013159
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/io/extxyz.py:311: UserWarning: Skipping unhashable information adsorbate_info
   warnings.warn(&#39;Skipping unhashable information &#39;
 </pre></div>
 </div>
@@ -1402,7 +1411,7 @@ <h3>Data contents <a name="contents"></a><a class="headerlink" href="#data-conte
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Atoms(symbols=&#39;Cu27C3H8&#39;, pbc=True, cell=[7.65796644025031, 7.65796644025031, 33.266996999999996], energies=..., forces=..., tags=..., constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]), calculator=SinglePointCalculator(...))
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Atoms(symbols=&#39;Cu27C3H8&#39;, pbc=True, cell=[7.65796644025031, 7.65796644025031, 33.266996999999996], tags=..., constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]), calculator=SinglePointCalculator(...))
 </pre></div>
 </div>
 </div>
@@ -1596,11 +1605,15 @@ <h4>Adsorption energy<a class="headerlink" href="#adsorption-energy" title="Link
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Relaxed absolute energy = 8.35892145140813 eV
-Raw slab energy = 8.127167122751231 eV
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Relaxed absolute energy = 8.358921451399912 eV
+Raw slab energy = 8.12716712274959 eV
 Adsorbate reference energy = 3.4499999999999993 eV
 
-Adsorption energy: -3.2182456713431016 eV
+Adsorption energy: -3.2182456713496777 eV
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2536/2478225434.py:7: DeprecationWarning: Please use atoms.calc = calc
+  raw_slab.set_calculator(EMT())
 </pre></div>
 </div>
 </div>
@@ -1640,44 +1653,35 @@ <h4>Force<a class="headerlink" href="#force" title="Link to this heading">#</a><
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([[-1.07900000e-05, -3.80000000e-06,  1.13560540e-01],
-       [-0.00000000e+00, -4.29200000e-05,  1.13302410e-01],
-       [ 1.07900000e-05, -3.80000000e-06,  1.13560540e-01],
-       [-1.84600000e-05,  0.00000000e+00,  1.13543430e-01],
-       [-0.00000000e+00,  0.00000000e+00,  1.13047800e-01],
-       [ 1.84600000e-05,  0.00000000e+00,  1.13543430e-01],
-       [-1.07900000e-05,  3.80000000e-06,  1.13560540e-01],
-       [-0.00000000e+00,  4.29200000e-05,  1.13302410e-01],
-       [ 1.07900000e-05,  3.80000000e-06,  1.13560540e-01],
-       [-1.10430500e-02, -2.53094000e-03, -4.84573700e-02],
-       [ 1.10430500e-02, -2.53094000e-03, -4.84573700e-02],
-       [-0.00000000e+00, -2.20890000e-04, -2.07827000e-03],
-       [-1.10430500e-02,  2.53094000e-03, -4.84573700e-02],
-       [ 1.10430500e-02,  2.53094000e-03, -4.84573700e-02],
-       [-0.00000000e+00,  2.20890000e-04, -2.07827000e-03],
-       [-3.49808000e-03, -0.00000000e+00, -7.85544000e-03],
-       [ 3.49808000e-03, -0.00000000e+00, -7.85544000e-03],
-       [-0.00000000e+00, -0.00000000e+00, -5.97640000e-04],
-       [-3.18144370e-01, -2.36420450e-01, -3.97089230e-01],
-       [ 0.00000000e+00, -2.18895316e+00, -2.74768262e+00],
-       [ 3.18144370e-01, -2.36420450e-01, -3.97089230e-01],
-       [-5.65980520e-01,  0.00000000e+00, -6.16046990e-01],
-       [ 0.00000000e+00,  0.00000000e+00, -4.47152822e+00],
-       [ 5.65980520e-01, -0.00000000e+00, -6.16046990e-01],
-       [-3.18144370e-01,  2.36420450e-01, -3.97089230e-01],
-       [ 0.00000000e+00,  2.18895316e+00, -2.74768262e+00],
-       [ 3.18144370e-01,  2.36420450e-01, -3.97089230e-01],
-       [-0.00000000e+00, -0.00000000e+00, -3.96835355e+00],
-       [-0.00000000e+00, -3.64190926e+00,  5.71458646e+00],
-       [ 0.00000000e+00,  3.64190926e+00,  5.71458646e+00],
-       [-2.18178516e+00, -0.00000000e+00,  1.67589182e+00],
-       [ 2.18178516e+00,  0.00000000e+00,  1.67589182e+00],
-       [ 0.00000000e+00,  2.46333681e+00,  1.78299828e+00],
-       [ 0.00000000e+00, -2.46333681e+00,  1.78299828e+00],
-       [ 6.18714050e+00,  2.26336330e-01, -5.99485570e-01],
-       [-6.18714050e+00,  2.26336330e-01, -5.99485570e-01],
-       [-6.18714050e+00, -2.26336330e-01, -5.99485570e-01],
-       [ 6.18714050e+00, -2.26336330e-01, -5.99485570e-01]])
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">PropertyNotImplementedError</span><span class="g g-Whitespace">               </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">18</span><span class="p">],</span> <span class="n">line</span> <span class="mi">2</span>
+<span class="g g-Whitespace">      </span><span class="mi">1</span> <span class="c1"># Returning forces for all atoms - regardless of whether &quot;fixed&quot; or &quot;free&quot;</span>
+<span class="ne">----&gt; </span><span class="mi">2</span> <span class="n">i_structure</span><span class="o">.</span><span class="n">get_forces</span><span class="p">(</span><span class="n">apply_constraint</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:812,</span> in <span class="ni">Atoms.get_forces</span><span class="nt">(self, apply_constraint, md)</span>
+<span class="g g-Whitespace">    </span><span class="mi">810</span> <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">811</span>     <span class="k">raise</span> <span class="ne">RuntimeError</span><span class="p">(</span><span class="s1">&#39;Atoms object has no calculator.&#39;</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">812</span> <span class="n">forces</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_forces</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">814</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">815</span>     <span class="c1"># We need a special md flag here because for MD we want</span>
+<span class="g g-Whitespace">    </span><span class="mi">816</span>     <span class="c1"># to skip real constraints but include special &quot;constraints&quot;</span>
+<span class="g g-Whitespace">    </span><span class="mi">817</span>     <span class="c1"># Like Hookean.</span>
+<span class="g g-Whitespace">    </span><span class="mi">818</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:30,</span> in <span class="ni">GetPropertiesMixin.get_forces</span><span class="nt">(self, atoms)</span>
+<span class="g g-Whitespace">     </span><span class="mi">29</span> <span class="k">def</span> <span class="nf">get_forces</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
+<span class="ne">---&gt; </span><span class="mi">30</span>     <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="s1">&#39;forces&#39;</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/singlepoint.py:49,</span> in <span class="ni">SinglePointCalculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
+<span class="g g-Whitespace">     </span><span class="mi">47</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">check_state</span><span class="p">(</span><span class="n">atoms</span><span class="p">):</span>
+<span class="g g-Whitespace">     </span><span class="mi">48</span>     <span class="k">if</span> <span class="n">allow_calculation</span><span class="p">:</span>
+<span class="ne">---&gt; </span><span class="mi">49</span>         <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span>
+<span class="g g-Whitespace">     </span><span class="mi">50</span>             <span class="sa">f</span><span class="s1">&#39;The property &quot;</span><span class="si">{</span><span class="n">name</span><span class="si">}</span><span class="s1">&quot; is not available.&#39;</span><span class="p">)</span>
+<span class="g g-Whitespace">     </span><span class="mi">51</span>     <span class="k">return</span> <span class="kc">None</span>
+<span class="g g-Whitespace">     </span><span class="mi">53</span> <span class="n">result</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">[</span><span class="n">name</span><span class="p">]</span>
+
+<span class="ne">PropertyNotImplementedError</span>: The property &quot;forces&quot; is not available.
 </pre></div>
 </div>
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@@ -1689,48 +1693,6 @@ <h4>Force<a class="headerlink" href="#force" title="Link to this heading">#</a><
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@@ -1749,12 +1711,6 @@ <h3>Interacting with the OC20 datasets<a class="headerlink" href="#interacting-w
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-</div>
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 </section>
 <section id="additional-resources">
@@ -1888,11 +1812,6 @@ <h3>Imports<a class="headerlink" href="#imports" title="Link to this heading">#<
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:10 (INFO): Project root: /home/runner/work/fairchem/fairchem/src/fairchem
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="dataset">
@@ -1941,152 +1860,6 @@ <h3>Define the Config<a class="headerlink" href="#define-the-config" title="Link
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 </div>
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 </div>
 <p><strong>Note</strong> - we only train for a single epoch with a reduced batch size (GPU memory constraints) for demonstration purposes, modify accordingly for full convergence.</p>
 <div class="cell docutils container">
@@ -2221,214 +1994,6 @@ <h3>Create the trainer<a class="headerlink" href="#create-the-trainer" title="Li
 </pre></div>
 </div>
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-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-44-00-S2EF-example
-  commit: 00de11a
-  identifier: S2EF-example
-  logs_dir: ./logs/tensorboard/2024-05-17-19-44-00-S2EF-example
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-44-00-S2EF-example
-  seed: 0
-  timestamp_id: 2024-05-17-19-44-00-S2EF-example
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: lmdb
-  grad_target_mean: 0.0
-  grad_target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - &amp;id001 !!python/object/apply:numpy.dtype
-    args:
-    - f8
-    - false
-    - true
-    state: !!python/tuple
-    - 3
-    - &lt;
-    - null
-    - null
-    - null
-    - -1
-    - -1
-    - 0
-  - !!binary |
-    dPVlWhRA+D8=
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: true
-  src: data/s2ef/train_100
-  target_mean: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    zSXlDMrm3D8=
-  target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    dPVlWhRA+D8=
-  transforms:
-    normalizer:
-      energy:
-        mean: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          zSXlDMrm3D8=
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          dPVlWhRA+D8=
-      forces:
-        mean: 0.0
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          dPVlWhRA+D8=
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: gemnet_oc
-model_attributes:
-  activation: silu
-  atom_edge_interaction: true
-  atom_interaction: true
-  cbf:
-    name: spherical_harmonics
-  cutoff: 12.0
-  cutoff_aeaint: 12.0
-  cutoff_aint: 12.0
-  cutoff_qint: 12.0
-  direct_forces: true
-  edge_atom_interaction: true
-  emb_size_aint_in: 64
-  emb_size_aint_out: 64
-  emb_size_atom: 64
-  emb_size_cbf: 16
-  emb_size_edge: 64
-  emb_size_quad_in: 32
-  emb_size_quad_out: 32
-  emb_size_rbf: 16
-  emb_size_sbf: 32
-  emb_size_trip_in: 64
-  emb_size_trip_out: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  forces_coupled: false
-  max_neighbors: 30
-  max_neighbors_aeaint: 20
-  max_neighbors_aint: 1000
-  max_neighbors_qint: 8
-  num_after_skip: 2
-  num_atom: 3
-  num_atom_emb_layers: 2
-  num_before_skip: 2
-  num_blocks: 4
-  num_concat: 1
-  num_global_out_layers: 2
-  num_output_afteratom: 3
-  num_radial: 128
-  num_spherical: 7
-  output_init: HeOrthogonal
-  qint_tags:
-  - 1
-  - 2
-  quad_interaction: true
-  rbf:
-    name: gaussian
-  regress_forces: true
-  sbf:
-    name: legendre_outer
-  scale_file: ./gemnet-oc.pt
-noddp: false
-optim:
-  batch_size: 1
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  eval_batch_size: 1
-  factor: 0.8
-  force_coefficient: 100
-  loss_energy: mae
-  loss_force: l2mae
-  lr_initial: 0.0005
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  train_on_free_atoms: true
-  type: regression
-trainer: s2ef
-val_dataset:
-  src: data/s2ef/val_20
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): Loading dataset: lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:12 (INFO): Loading model: gemnet_oc
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:13 (INFO): Loaded GemNetOC with 2596214 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:13 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="train-the-model">
@@ -2439,554 +2004,80 @@ <h3>Train the model<a class="headerlink" href="#train-the-model" title="Link to
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:19 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 3.37e+01, forcesx_mae: 4.54e-01, forcesy_mae: 6.14e-01, forcesz_mae: 7.50e-01, forces_mae: 6.06e-01, forces_cosine_similarity: 1.12e-02, forces_magnitude_error: 1.07e+00, loss: 1.06e+02, lr: 5.00e-04, epoch: 5.00e-02, step: 5.00e+00
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:24 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.22e+01, forcesx_mae: 2.45e-01, forcesy_mae: 6.06e-01, forcesz_mae: 4.26e-01, forces_mae: 4.26e-01, forces_cosine_similarity: -1.76e-02, forces_magnitude_error: 7.53e-01, loss: 6.92e+01, lr: 5.00e-04, epoch: 1.00e-01, step: 1.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:30 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.07e+01, forcesx_mae: 3.58e-01, forcesy_mae: 6.73e-01, forcesz_mae: 5.27e-01, forces_mae: 5.19e-01, forces_cosine_similarity: -4.96e-02, forces_magnitude_error: 6.64e-01, loss: 8.13e+01, lr: 5.00e-04, epoch: 1.50e-01, step: 1.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:35 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 7.78e+00, forcesx_mae: 2.21e-01, forcesy_mae: 3.42e-01, forcesz_mae: 2.78e-01, forces_mae: 2.80e-01, forces_cosine_similarity: -8.22e-03, forces_magnitude_error: 4.00e-01, loss: 3.78e+01, lr: 5.00e-04, epoch: 2.00e-01, step: 2.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:40 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 6.92e+00, forcesx_mae: 1.22e-01, forcesy_mae: 1.55e-01, forcesz_mae: 1.62e-01, forces_mae: 1.46e-01, forces_cosine_similarity: 1.52e-03, forces_magnitude_error: 1.70e-01, loss: 2.28e+01, lr: 5.00e-04, epoch: 2.50e-01, step: 2.50e+01
+</section>
+<section id="validate-the-model">
+<h3>Validate the model<a class="headerlink" href="#validate-the-model" title="Link to this heading">#</a></h3>
+<section id="load-the-best-checkpoint">
+<h4>Load the best checkpoint<a class="headerlink" href="#load-the-best-checkpoint" title="Link to this heading">#</a></h4>
+<p>The <code class="docutils literal notranslate"><span class="pre">checkpoints</span></code> directory contains two checkpoint files:</p>
+<ul class="simple">
+<li><p><code class="docutils literal notranslate"><span class="pre">best_checkpoint.pt</span></code> - Model parameters corresponding to the best val performance during training. Used for predictions.</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">checkpoint.pt</span></code> - Model parameters and optimizer settings for the latest checkpoint. Used to continue training.</p></li>
+</ul>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># The `best_checpoint.pt` file contains the checkpoint with the best val performance</span>
+<span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">trainer</span><span class="o">.</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;cmd&quot;</span><span class="p">][</span><span class="s2">&quot;checkpoint_dir&quot;</span><span class="p">],</span> <span class="s2">&quot;best_checkpoint.pt&quot;</span><span class="p">)</span>
+<span class="n">checkpoint_path</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:46 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 3.86e+00, forcesx_mae: 1.02e-01, forcesy_mae: 1.38e-01, forcesz_mae: 1.65e-01, forces_mae: 1.35e-01, forces_cosine_similarity: -2.59e-02, forces_magnitude_error: 1.53e-01, loss: 2.05e+01, lr: 5.00e-04, epoch: 3.00e-01, step: 3.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:51 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.40e+00, forcesx_mae: 4.77e-02, forcesy_mae: 5.14e-02, forcesz_mae: 6.43e-02, forces_mae: 5.45e-02, forces_cosine_similarity: 1.31e-01, forces_magnitude_error: 6.22e-02, loss: 8.02e+00, lr: 5.00e-04, epoch: 3.50e-01, step: 3.50e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:44:56 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.24e+00, forcesx_mae: 9.29e-02, forcesy_mae: 1.05e-01, forcesz_mae: 1.26e-01, forces_mae: 1.08e-01, forces_cosine_similarity: 1.88e-01, forces_magnitude_error: 1.44e-01, loss: 1.58e+01, lr: 5.00e-04, epoch: 4.00e-01, step: 4.00e+01
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># Append the dataset with the test set. We use the same val set for demonstration.</span>
+
+<span class="c1"># Dataset</span>
+<span class="n">dataset</span><span class="o">.</span><span class="n">append</span><span class="p">(</span>
+  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span> <span class="c1"># test set (optional)</span>
+<span class="p">)</span>
+<span class="n">dataset</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:02 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 5.25e+00, forcesx_mae: 1.35e-01, forcesy_mae: 1.87e-01, forcesz_mae: 2.25e-01, forces_mae: 1.83e-01, forces_cosine_similarity: 2.66e-01, forces_magnitude_error: 2.86e-01, loss: 2.66e+01, lr: 5.00e-04, epoch: 4.50e-01, step: 4.50e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:07 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.42e+00, forcesx_mae: 8.28e-02, forcesy_mae: 1.02e-01, forcesz_mae: 1.43e-01, forces_mae: 1.09e-01, forces_cosine_similarity: 1.62e-01, forces_magnitude_error: 1.69e-01, loss: 1.48e+01, lr: 5.00e-04, epoch: 5.00e-01, step: 5.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:12 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.76e+00, forcesx_mae: 1.67e-01, forcesy_mae: 1.72e-01, forcesz_mae: 2.52e-01, forces_mae: 1.97e-01, forces_cosine_similarity: 3.22e-01, forces_magnitude_error: 3.54e-01, loss: 2.73e+01, lr: 5.00e-04, epoch: 5.50e-01, step: 5.50e+01
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">pretrained_trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
+    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
+    <span class="n">model</span><span class="o">=</span><span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="n">model</span><span class="p">),</span> <span class="c1"># copied for later use, not necessary in practice.</span>
+    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
+    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
+    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
+    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-val-example&quot;</span><span class="p">,</span>
+    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
+    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
+    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
+    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
+    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
+    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
+    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
+<span class="p">)</span>
+
+<span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">load_checkpoint</span><span class="p">(</span><span class="n">checkpoint_path</span><span class="o">=</span><span class="n">checkpoint_path</span><span class="p">)</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:17 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.39e+00, forcesx_mae: 2.59e-02, forcesy_mae: 3.27e-02, forcesz_mae: 4.49e-02, forces_mae: 3.45e-02, forces_cosine_similarity: 1.68e-01, forces_magnitude_error: 4.51e-02, loss: 5.40e+00, lr: 5.00e-04, epoch: 6.00e-01, step: 6.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:23 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 5.01e+00, forcesx_mae: 3.09e-01, forcesy_mae: 5.03e-01, forcesz_mae: 3.94e-01, forces_mae: 4.02e-01, forces_cosine_similarity: 4.33e-01, forces_magnitude_error: 7.60e-01, loss: 5.12e+01, lr: 5.00e-04, epoch: 6.50e-01, step: 6.50e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:28 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.36e+00, forcesx_mae: 1.42e-01, forcesy_mae: 1.55e-01, forcesz_mae: 2.27e-01, forces_mae: 1.75e-01, forces_cosine_similarity: 3.90e-01, forces_magnitude_error: 3.00e-01, loss: 2.43e+01, lr: 5.00e-04, epoch: 7.00e-01, step: 7.00e+01
+</section>
+<section id="run-on-the-test-set">
+<h4>Run on the test set<a class="headerlink" href="#run-on-the-test-set" title="Link to this heading">#</a></h4>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># make predictions on the existing test_loader</span>
+<span class="n">predictions</span> <span class="o">=</span> <span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">test_loader</span><span class="p">,</span> <span class="n">results_file</span><span class="o">=</span><span class="s2">&quot;s2ef_results&quot;</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:33 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.84e+00, forcesx_mae: 8.30e-02, forcesy_mae: 1.45e-01, forcesz_mae: 9.24e-02, forces_mae: 1.07e-01, forces_cosine_similarity: 4.87e-02, forces_magnitude_error: 1.01e-01, loss: 1.33e+01, lr: 5.00e-04, epoch: 7.50e-01, step: 7.50e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:39 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.56e+00, forcesx_mae: 1.39e-01, forcesy_mae: 2.00e-01, forcesz_mae: 1.79e-01, forces_mae: 1.72e-01, forces_cosine_similarity: 2.47e-01, forces_magnitude_error: 2.35e-01, loss: 2.32e+01, lr: 5.00e-04, epoch: 8.00e-01, step: 8.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:44 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 3.04e+00, forcesx_mae: 2.15e-01, forcesy_mae: 8.73e-01, forcesz_mae: 3.32e-01, forces_mae: 4.73e-01, forces_cosine_similarity: 3.61e-01, forces_magnitude_error: 9.50e-01, loss: 5.55e+01, lr: 5.00e-04, epoch: 8.50e-01, step: 8.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:49 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.04e+00, forcesx_mae: 5.54e-02, forcesy_mae: 8.34e-02, forcesz_mae: 7.28e-02, forces_mae: 7.05e-02, forces_cosine_similarity: 2.65e-01, forces_magnitude_error: 8.20e-02, loss: 9.80e+00, lr: 5.00e-04, epoch: 9.00e-01, step: 9.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:45:54 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 6.24e-01, forcesx_mae: 3.87e-02, forcesy_mae: 4.64e-02, forcesz_mae: 6.17e-02, forces_mae: 4.89e-02, forces_cosine_similarity: 2.51e-01, forces_magnitude_error: 6.13e-02, loss: 6.77e+00, lr: 5.00e-04, epoch: 9.50e-01, step: 9.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:00 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 7.63e-01, forcesx_mae: 6.36e-02, forcesy_mae: 1.05e-01, forcesz_mae: 7.27e-02, forces_mae: 8.05e-02, forces_cosine_similarity: 2.24e-01, forces_magnitude_error: 9.96e-02, loss: 1.01e+01, lr: 5.00e-04, epoch: 1.00e+00, step: 1.00e+02
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:00 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/20 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   5%|▌         | 1/20 [00:00&lt;00:07,  2.38it/s]
-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  85%|████████▌ | 17/20 [00:03&lt;00:00,  4.66it/s]
-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  95%|█████████▌| 19/20 [00:04&lt;00:00,  4.57it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:04&lt;00:00,  4.70it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:04&lt;00:00,  4.29it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 9.3699, forcesx_mae: 0.3033, forcesy_mae: 0.2619, forcesz_mae: 0.4725, forces_mae: 0.3459, forces_cosine_similarity: 0.0218, forces_magnitude_error: 0.4929, loss: 53.3609, epoch: 1.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="validate-the-model">
-<h3>Validate the model<a class="headerlink" href="#validate-the-model" title="Link to this heading">#</a></h3>
-<section id="load-the-best-checkpoint">
-<h4>Load the best checkpoint<a class="headerlink" href="#load-the-best-checkpoint" title="Link to this heading">#</a></h4>
-<p>The <code class="docutils literal notranslate"><span class="pre">checkpoints</span></code> directory contains two checkpoint files:</p>
-<ul class="simple">
-<li><p><code class="docutils literal notranslate"><span class="pre">best_checkpoint.pt</span></code> - Model parameters corresponding to the best val performance during training. Used for predictions.</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">checkpoint.pt</span></code> - Model parameters and optimizer settings for the latest checkpoint. Used to continue training.</p></li>
-</ul>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># The `best_checpoint.pt` file contains the checkpoint with the best val performance</span>
-<span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">trainer</span><span class="o">.</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;cmd&quot;</span><span class="p">][</span><span class="s2">&quot;checkpoint_dir&quot;</span><span class="p">],</span> <span class="s2">&quot;best_checkpoint.pt&quot;</span><span class="p">)</span>
-<span class="n">checkpoint_path</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;./checkpoints/2024-05-17-19-44-00-S2EF-example/best_checkpoint.pt&#39;
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># Append the dataset with the test set. We use the same val set for demonstration.</span>
-
-<span class="c1"># Dataset</span>
-<span class="n">dataset</span><span class="o">.</span><span class="n">append</span><span class="p">(</span>
-  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span> <span class="c1"># test set (optional)</span>
-<span class="p">)</span>
-<span class="n">dataset</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[{&#39;src&#39;: &#39;data/s2ef/train_100&#39;,
-  &#39;normalize_labels&#39;: True,
-  &#39;target_mean&#39;: 0.45158625849998374,
-  &#39;target_std&#39;: 1.5156444102461508,
-  &#39;grad_target_mean&#39;: 0.0,
-  &#39;grad_target_std&#39;: 1.5156444102461508},
- {&#39;src&#39;: &#39;data/s2ef/val_20&#39;},
- {&#39;src&#39;: &#39;data/s2ef/val_20&#39;}]
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">pretrained_trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
-    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
-    <span class="n">model</span><span class="o">=</span><span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="n">model</span><span class="p">),</span> <span class="c1"># copied for later use, not necessary in practice.</span>
-    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
-    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
-    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
-    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-val-example&quot;</span><span class="p">,</span>
-    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
-    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
-    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
-    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
-    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
-    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
-    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
-<span class="p">)</span>
-
-<span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">load_checkpoint</span><span class="p">(</span><span class="n">checkpoint_path</span><span class="o">=</span><span class="n">checkpoint_path</span><span class="p">)</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-46-08-S2EF-val-example
-  commit: 00de11a
-  identifier: S2EF-val-example
-  logs_dir: ./logs/tensorboard/2024-05-17-19-46-08-S2EF-val-example
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-46-08-S2EF-val-example
-  seed: 0
-  timestamp_id: 2024-05-17-19-46-08-S2EF-val-example
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: lmdb
-  grad_target_mean: 0.0
-  grad_target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - &amp;id001 !!python/object/apply:numpy.dtype
-    args:
-    - f8
-    - false
-    - true
-    state: !!python/tuple
-    - 3
-    - &lt;
-    - null
-    - null
-    - null
-    - -1
-    - -1
-    - 0
-  - !!binary |
-    dPVlWhRA+D8=
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: true
-  src: data/s2ef/train_100
-  target_mean: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    zSXlDMrm3D8=
-  target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    dPVlWhRA+D8=
-  transforms:
-    normalizer:
-      energy:
-        mean: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          zSXlDMrm3D8=
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          dPVlWhRA+D8=
-      forces:
-        mean: 0.0
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          dPVlWhRA+D8=
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: gemnet_oc
-model_attributes:
-  activation: silu
-  atom_edge_interaction: true
-  atom_interaction: true
-  cbf:
-    name: spherical_harmonics
-  cutoff: 12.0
-  cutoff_aeaint: 12.0
-  cutoff_aint: 12.0
-  cutoff_qint: 12.0
-  direct_forces: true
-  edge_atom_interaction: true
-  emb_size_aint_in: 64
-  emb_size_aint_out: 64
-  emb_size_atom: 64
-  emb_size_cbf: 16
-  emb_size_edge: 64
-  emb_size_quad_in: 32
-  emb_size_quad_out: 32
-  emb_size_rbf: 16
-  emb_size_sbf: 32
-  emb_size_trip_in: 64
-  emb_size_trip_out: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  forces_coupled: false
-  max_neighbors: 30
-  max_neighbors_aeaint: 20
-  max_neighbors_aint: 1000
-  max_neighbors_qint: 8
-  num_after_skip: 2
-  num_atom: 3
-  num_atom_emb_layers: 2
-  num_before_skip: 2
-  num_blocks: 4
-  num_concat: 1
-  num_global_out_layers: 2
-  num_output_afteratom: 3
-  num_radial: 128
-  num_spherical: 7
-  output_init: HeOrthogonal
-  qint_tags:
-  - 1
-  - 2
-  quad_interaction: true
-  rbf:
-    name: gaussian
-  regress_forces: true
-  sbf:
-    name: legendre_outer
-  scale_file: ./gemnet-oc.pt
-noddp: false
-optim:
-  batch_size: 1
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  eval_batch_size: 1
-  factor: 0.8
-  force_coefficient: 100
-  loss_energy: mae
-  loss_force: l2mae
-  lr_initial: 0.0005
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  train_on_free_atoms: true
-  type: regression
-test_dataset:
-  src: data/s2ef/val_20
-trainer: s2ef
-val_dataset:
-  src: data/s2ef/val_20
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Loading dataset: lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Loading model: gemnet_oc
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Loaded GemNetOC with 2596214 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:05 (INFO): Loading checkpoint from: ./checkpoints/2024-05-17-19-44-00-S2EF-example/best_checkpoint.pt
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="run-on-the-test-set">
-<h4>Run on the test set<a class="headerlink" href="#run-on-the-test-set" title="Link to this heading">#</a></h4>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># make predictions on the existing test_loader</span>
-<span class="n">predictions</span> <span class="o">=</span> <span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">pretrained_trainer</span><span class="o">.</span><span class="n">test_loader</span><span class="p">,</span> <span class="n">results_file</span><span class="o">=</span><span class="s2">&quot;s2ef_results&quot;</span><span class="p">,</span> <span class="n">disable_tqdm</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:06 (INFO): Predicting on test.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/20 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   5%|▌         | 1/20 [00:00&lt;00:08,  2.31it/s]
-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  80%|████████  | 16/20 [00:03&lt;00:00,  4.73it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  85%|████████▌ | 17/20 [00:03&lt;00:00,  4.42it/s]
-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:04&lt;00:00,  4.66it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:04&lt;00:00,  4.32it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): Writing results to ./results/2024-05-17-19-46-08-S2EF-val-example/s2ef_s2ef_results.npz
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">energies</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="s2">&quot;energy&quot;</span><span class="p">]</span>
-<span class="n">forces</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="s2">&quot;forces&quot;</span><span class="p">]</span>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">energies</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="s2">&quot;energy&quot;</span><span class="p">]</span>
+<span class="n">forces</span> <span class="o">=</span> <span class="n">predictions</span><span class="p">[</span><span class="s2">&quot;forces&quot;</span><span class="p">]</span>
 </pre></div>
 </div>
 </div>
@@ -3164,175 +2255,6 @@ <h3>Define the Config<a class="headerlink" href="#id4" title="Link to this headi
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-46-08-IS2RE-example
-  commit: 00de11a
-  identifier: IS2RE-example
-  logs_dir: ./logs/tensorboard/2024-05-17-19-46-08-IS2RE-example
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-46-08-IS2RE-example
-  seed: 0
-  timestamp_id: 2024-05-17-19-46-08-IS2RE-example
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: single_point_lmdb
-  key_mapping:
-    y_relaxed: energy
-  normalize_labels: true
-  src: data/is2re/train_100/data.lmdb
-  target_mean: !!python/object/apply:numpy.core.multiarray.scalar
-  - &amp;id001 !!python/object/apply:numpy.dtype
-    args:
-    - f8
-    - false
-    - true
-    state: !!python/tuple
-    - 3
-    - &lt;
-    - null
-    - null
-    - null
-    - -1
-    - -1
-    - 0
-  - !!binary |
-    MjyJzgpQ978=
-  target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    PnyyzMtk/T8=
-  transforms:
-    normalizer:
-      energy:
-        mean: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          MjyJzgpQ978=
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          PnyyzMtk/T8=
-      forces:
-        mean: 0
-        stdev: 1
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    - mse
-    - energy_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: false
-  emb_size_atom: 256
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 2
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 5
-  num_concat: 1
-  num_radial: 64
-  num_spherical: 7
-  otf_graph: false
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: false
-  scale_file: ./gemnet-dT.json
-noddp: false
-optim:
-  batch_size: 1
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  eval_batch_size: 1
-  factor: 0.8
-  loss_energy: mae
-  lr_initial: 0.0001
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-slurm: {}
-task:
-  dataset: single_point_lmdb
-  description: Relaxed state energy prediction from initial structure.
-  labels:
-  - relaxed energy
-  metric: mae
-  type: regression
-trainer: is2re
-val_dataset:
-  src: data/is2re/val_20/data.lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): Loading dataset: single_point_lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:10 (INFO): Loading model: gemnet_t
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (WARNING): Scale factor OutBlock_0_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (WARNING): Scale factor OutBlock_1_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (WARNING): Scale factor OutBlock_2_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (WARNING): Scale factor OutBlock_3_had not found in model
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (INFO): Loaded GemNetT with 22774037 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:11 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="id5">
@@ -3343,246 +2265,30 @@ <h3>Train the Model<a class="headerlink" href="#id5" title="Link to this heading
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor OutBlock_4_sum (out_blocks.4.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor OutBlock_5_sum (out_blocks.5.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor TripInteraction_4_had_rbf (int_blocks.3.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor TripInteraction_4_sum_cbf (int_blocks.3.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor AtomUpdate_4_sum (int_blocks.3.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor TripInteraction_5_had_rbf (int_blocks.4.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor TripInteraction_5_sum_cbf (int_blocks.4.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:12 (WARNING): Scale factor AtomUpdate_5_sum (int_blocks.4.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+</section>
+<section id="id6">
+<h3>Validate the Model<a class="headerlink" href="#id6" title="Link to this heading">#</a></h3>
+<section id="id7">
+<h4>Load the best checkpoint<a class="headerlink" href="#id7" title="Link to this heading">#</a></h4>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># The `best_checpoint.pt` file contains the checkpoint with the best val performance</span>
+<span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">energy_trainer</span><span class="o">.</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;cmd&quot;</span><span class="p">][</span><span class="s2">&quot;checkpoint_dir&quot;</span><span class="p">],</span> <span class="s2">&quot;best_checkpoint.pt&quot;</span><span class="p">)</span>
+<span class="n">checkpoint_path</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:26 (INFO): energy_mae: 1.61e+03, energy_mse: 4.56e+06, energy_within_threshold: 0.00e+00, loss: 8.77e+02, lr: 1.00e-04, epoch: 5.00e-02, step: 5.00e+00
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:34 (INFO): energy_mae: 4.03e+03, energy_mse: 6.12e+07, energy_within_threshold: 0.00e+00, loss: 2.19e+03, lr: 1.00e-04, epoch: 1.00e-01, step: 1.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:46:48 (INFO): energy_mae: 7.62e+02, energy_mse: 1.13e+06, energy_within_threshold: 0.00e+00, loss: 4.15e+02, lr: 1.00e-04, epoch: 1.50e-01, step: 1.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:03 (INFO): energy_mae: 1.91e+03, energy_mse: 9.34e+06, energy_within_threshold: 0.00e+00, loss: 1.04e+03, lr: 1.00e-04, epoch: 2.00e-01, step: 2.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:17 (INFO): energy_mae: 4.65e+02, energy_mse: 7.63e+05, energy_within_threshold: 0.00e+00, loss: 2.53e+02, lr: 1.00e-04, epoch: 2.50e-01, step: 2.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:25 (INFO): energy_mae: 2.34e+02, energy_mse: 1.21e+05, energy_within_threshold: 0.00e+00, loss: 1.28e+02, lr: 1.00e-04, epoch: 3.00e-01, step: 3.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:34 (INFO): energy_mae: 2.37e+03, energy_mse: 2.29e+07, energy_within_threshold: 0.00e+00, loss: 1.29e+03, lr: 1.00e-04, epoch: 3.50e-01, step: 3.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:44 (INFO): energy_mae: 2.93e+03, energy_mse: 4.08e+07, energy_within_threshold: 0.00e+00, loss: 1.59e+03, lr: 1.00e-04, epoch: 4.00e-01, step: 4.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:47:57 (INFO): energy_mae: 7.24e+02, energy_mse: 9.41e+05, energy_within_threshold: 0.00e+00, loss: 3.94e+02, lr: 1.00e-04, epoch: 4.50e-01, step: 4.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:48:10 (INFO): energy_mae: 6.84e+02, energy_mse: 9.56e+05, energy_within_threshold: 0.00e+00, loss: 3.72e+02, lr: 1.00e-04, epoch: 5.00e-01, step: 5.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:48:26 (INFO): energy_mae: 3.67e+02, energy_mse: 1.74e+05, energy_within_threshold: 0.00e+00, loss: 2.00e+02, lr: 1.00e-04, epoch: 5.50e-01, step: 5.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:48:37 (INFO): energy_mae: 2.28e+02, energy_mse: 8.24e+04, energy_within_threshold: 0.00e+00, loss: 1.24e+02, lr: 1.00e-04, epoch: 6.00e-01, step: 6.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:48:51 (INFO): energy_mae: 5.41e+02, energy_mse: 4.93e+05, energy_within_threshold: 0.00e+00, loss: 2.94e+02, lr: 1.00e-04, epoch: 6.50e-01, step: 6.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:49:09 (INFO): energy_mae: 3.10e+03, energy_mse: 4.04e+07, energy_within_threshold: 0.00e+00, loss: 1.69e+03, lr: 1.00e-04, epoch: 7.00e-01, step: 7.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:49:21 (INFO): energy_mae: 3.34e+02, energy_mse: 1.41e+05, energy_within_threshold: 0.00e+00, loss: 1.82e+02, lr: 1.00e-04, epoch: 7.50e-01, step: 7.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:49:32 (INFO): energy_mae: 1.30e+03, energy_mse: 6.85e+06, energy_within_threshold: 0.00e+00, loss: 7.07e+02, lr: 1.00e-04, epoch: 8.00e-01, step: 8.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:49:42 (INFO): energy_mae: 2.08e+02, energy_mse: 5.73e+04, energy_within_threshold: 0.00e+00, loss: 1.13e+02, lr: 1.00e-04, epoch: 8.50e-01, step: 8.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:49:51 (INFO): energy_mae: 7.85e+01, energy_mse: 1.46e+04, energy_within_threshold: 0.00e+00, loss: 4.27e+01, lr: 1.00e-04, epoch: 9.00e-01, step: 9.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:03 (INFO): energy_mae: 7.07e+02, energy_mse: 1.51e+06, energy_within_threshold: 0.00e+00, loss: 3.85e+02, lr: 1.00e-04, epoch: 9.50e-01, step: 9.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:12 (INFO): energy_mae: 8.01e+01, energy_mse: 8.29e+03, energy_within_threshold: 0.00e+00, loss: 4.36e+01, lr: 1.00e-04, epoch: 1.00e+00, step: 1.00e+02
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor OutBlock_4_sum (out_blocks.4.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor OutBlock_5_sum (out_blocks.5.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor TripInteraction_4_had_rbf (int_blocks.3.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor TripInteraction_4_sum_cbf (int_blocks.3.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor AtomUpdate_4_sum (int_blocks.3.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor TripInteraction_5_had_rbf (int_blocks.4.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor TripInteraction_5_sum_cbf (int_blocks.4.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (WARNING): Scale factor AtomUpdate_5_sum (int_blocks.4.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:13 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/20 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   5%|▌         | 1/20 [00:01&lt;00:25,  1.33s/it]
-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  40%|████      | 8/20 [00:10&lt;00:18,  1.58s/it]
-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  65%|██████▌   | 13/20 [00:13&lt;00:05,  1.32it/s]
-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  80%|████████  | 16/20 [00:15&lt;00:02,  1.53it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  85%|████████▌ | 17/20 [00:16&lt;00:02,  1.25it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  90%|█████████ | 18/20 [00:18&lt;00:01,  1.05it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  95%|█████████▌| 19/20 [00:19&lt;00:01,  1.08s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:20&lt;00:00,  1.05it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 20/20 [00:20&lt;00:00,  1.01s/it]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): energy_mae: 1912.3803, energy_mse: 15605971.8514, energy_within_threshold: 0.0000, loss: 1040.9730, epoch: 1.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="id6">
-<h3>Validate the Model<a class="headerlink" href="#id6" title="Link to this heading">#</a></h3>
-<section id="id7">
-<h4>Load the best checkpoint<a class="headerlink" href="#id7" title="Link to this heading">#</a></h4>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># The `best_checpoint.pt` file contains the checkpoint with the best val performance</span>
-<span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">energy_trainer</span><span class="o">.</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;cmd&quot;</span><span class="p">][</span><span class="s2">&quot;checkpoint_dir&quot;</span><span class="p">],</span> <span class="s2">&quot;best_checkpoint.pt&quot;</span><span class="p">)</span>
-<span class="n">checkpoint_path</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;./checkpoints/2024-05-17-19-46-08-IS2RE-example/best_checkpoint.pt&#39;
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># Append the dataset with the test set. We use the same val set for demonstration.</span>
-
-<span class="c1"># Dataset</span>
-<span class="n">dataset</span><span class="o">.</span><span class="n">append</span><span class="p">(</span>
-  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span> <span class="c1"># test set (optional)</span>
-<span class="p">)</span>
-<span class="n">dataset</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[{&#39;src&#39;: &#39;data/is2re/train_100/data.lmdb&#39;,
-  &#39;normalize_labels&#39;: True,
-  &#39;target_mean&#39;: -1.4570415561499996,
-  &#39;target_std&#39;: 1.8371084209427546},
- {&#39;src&#39;: &#39;data/is2re/val_20/data.lmdb&#39;},
- {&#39;src&#39;: &#39;data/is2re/val_20/data.lmdb&#39;}]
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="c1"># Append the dataset with the test set. We use the same val set for demonstration.</span>
+
+<span class="c1"># Dataset</span>
+<span class="n">dataset</span><span class="o">.</span><span class="n">append</span><span class="p">(</span>
+  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span> <span class="c1"># test set (optional)</span>
+<span class="p">)</span>
+<span class="n">dataset</span>
 </pre></div>
 </div>
 </div>
@@ -3612,186 +2318,6 @@ <h4>Load the best checkpoint<a class="headerlink" href="#id7" title="Link to thi
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-50-24-IS2RE-val-example
-  commit: 00de11a
-  identifier: IS2RE-val-example
-  logs_dir: ./logs/tensorboard/2024-05-17-19-50-24-IS2RE-val-example
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-50-24-IS2RE-val-example
-  seed: 0
-  timestamp_id: 2024-05-17-19-50-24-IS2RE-val-example
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: single_point_lmdb
-  key_mapping:
-    y_relaxed: energy
-  normalize_labels: true
-  src: data/is2re/train_100/data.lmdb
-  target_mean: !!python/object/apply:numpy.core.multiarray.scalar
-  - &amp;id001 !!python/object/apply:numpy.dtype
-    args:
-    - f8
-    - false
-    - true
-    state: !!python/tuple
-    - 3
-    - &lt;
-    - null
-    - null
-    - null
-    - -1
-    - -1
-    - 0
-  - !!binary |
-    MjyJzgpQ978=
-  target_std: !!python/object/apply:numpy.core.multiarray.scalar
-  - *id001
-  - !!binary |
-    PnyyzMtk/T8=
-  transforms:
-    normalizer:
-      energy:
-        mean: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          MjyJzgpQ978=
-        stdev: !!python/object/apply:numpy.core.multiarray.scalar
-        - *id001
-        - !!binary |
-          PnyyzMtk/T8=
-      forces:
-        mean: 0
-        stdev: 1
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    - mse
-    - energy_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: false
-  emb_size_atom: 256
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 2
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 5
-  num_concat: 1
-  num_radial: 64
-  num_spherical: 7
-  otf_graph: false
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: false
-  scale_file: ./gemnet-dT.json
-noddp: false
-optim:
-  batch_size: 1
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  eval_batch_size: 1
-  factor: 0.8
-  loss_energy: mae
-  lr_initial: 0.0001
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-slurm: {}
-task:
-  dataset: single_point_lmdb
-  description: Relaxed state energy prediction from initial structure.
-  labels:
-  - relaxed energy
-  metric: mae
-  type: regression
-test_dataset:
-  src: data/is2re/val_20/data.lmdb
-trainer: is2re
-val_dataset:
-  src: data/is2re/val_20/data.lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): Loading dataset: single_point_lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:33 (INFO): Loading model: gemnet_t
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_0_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_1_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_2_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_3_had not found in model
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (INFO): Loaded GemNetT with 22774037 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (INFO): Loading checkpoint from: ./checkpoints/2024-05-17-19-46-08-IS2RE-example/best_checkpoint.pt
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="test-the-model">
@@ -3803,115 +2329,6 @@ <h4>Test the model<a class="headerlink" href="#test-the-model" title="Link to th
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_4_sum (out_blocks.4.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor OutBlock_5_sum (out_blocks.5.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor TripInteraction_4_had_rbf (int_blocks.3.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor TripInteraction_4_sum_cbf (int_blocks.3.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor AtomUpdate_4_sum (int_blocks.3.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor TripInteraction_5_had_rbf (int_blocks.4.trip_interaction.scale_rbf) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor TripInteraction_5_sum_cbf (int_blocks.4.trip_interaction.scale_cbf_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (WARNING): Scale factor AtomUpdate_5_sum (int_blocks.4.atom_update.scale_sum) is not fitted. Please make sure that you either (1) load a checkpoint with fitted scale factors, (2) explicitly load scale factors using the `model.scale_file` attribute, or (3) fit the scale factors using the `fit.py` script.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:34 (INFO): Predicting on test.
-</pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:39 (INFO): Writing results to ./results/2024-05-17-19-50-24-IS2RE-val-example/is2re_is2re_results.npz
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -3985,11 +2402,6 @@ <h3>Download pretrained checkpoint<a class="headerlink" href="#download-pretrain
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:39 (INFO): Checking local cache: /tmp/ocp_checkpoints/ for model GemNet-dT-S2EF-OC20-All
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="id10">
@@ -4119,163 +2531,6 @@ <h3>Create the trainer<a class="headerlink" href="#id11" title="Link to this hea
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-50-24-is2rs-example
-  commit: 00de11a
-  identifier: is2rs-example
-  logs_dir: ./logs/tensorboard/2024-05-17-19-50-24-is2rs-example
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-50-24-is2rs-example
-  seed: 0
-  timestamp_id: 2024-05-17-19-50-24-is2rs-example
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: lmdb
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: false
-  src: data/s2ef/train_100
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: true
-  emb_size_atom: 512
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 2
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 3
-  num_concat: 1
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: false
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: true
-  scale_file: ./gemnet-dT.json
-noddp: false
-optim:
-  batch_size: 1
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  eval_batch_size: 1
-  factor: 0.8
-  force_coefficient: 100
-  lr_initial: 0.0005
-  max_epochs: 1
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  num_relaxation_batches: 1
-  relax_dataset:
-    src: data/is2re/val_20/data.lmdb
-  relax_opt:
-    alpha: 70.0
-    damping: 1.0
-    maxstep: 0.04
-    memory: 50
-    traj_dir: ml-relaxations/is2rs-test
-  relaxation_steps: 200
-  train_on_free_atoms: true
-  type: regression
-  write_pos: true
-trainer: s2ef
-val_dataset:
-  src: data/s2ef/val_20
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): Loading dataset: lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:40 (INFO): Loading model: gemnet_t
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:41 (INFO): Loaded GemNetT with 31671825 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:41 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="id12">
@@ -4286,11 +2541,6 @@ <h3>Load the best checkpoint<a class="headerlink" href="#id12" title="Link to th
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:41 (INFO): Loading checkpoint from: /tmp/ocp_checkpoints/gemnet_t_direct_h512_all.pt
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="run-relaxations">
@@ -4302,1860 +2552,407 @@ <h3>Run relaxations<a class="headerlink" href="#run-relaxations" title="Link to
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:41 (INFO): Running ML-relaxations
-</pre></div>
-</div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:41 (INFO): Step   Fmax(eV/A)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:43 (INFO): 0 2.630
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:50:44 (INFO): 1 2.094
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:52:59 (INFO): 131 0.055
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:00 (INFO): 132 0.045
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:01 (INFO): 133 0.034
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:02 (INFO): 134 0.035
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:03 (INFO): 135 0.027
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:04 (INFO): 136 0.024
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:05 (INFO): 137 0.024
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:06 (INFO): 138 0.028
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:07 (INFO): 139 0.030
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:08 (INFO): 140 0.024
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:09 (INFO): 141 0.021
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:10 (INFO): 142 0.020
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:11 (INFO): 143 0.022
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:12 (INFO): 144 0.025
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:13 (INFO): 145 0.034
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:14 (INFO): 146 0.038
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:15 (INFO): 147 0.030
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:16 (INFO): 148 0.016
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  5%|▌         | 1/20 [02:36&lt;49:26, 156.11s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  5%|▌         | 1/20 [02:36&lt;49:26, 156.14s/it]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:18 (INFO): Writing results to ./results/2024-05-17-19-50-24-is2rs-example/relaxed_positions.npz
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:18 (INFO): {&#39;positions_average_distance_within_threshold&#39;: {&#39;total&#39;: 247, &#39;numel&#39;: 490, &#39;metric&#39;: 0.5040816326530613}, &#39;positions_mae&#39;: {&#39;total&#39;: 23.29319953918457, &#39;numel&#39;: 60, &#39;metric&#39;: 0.38821999231974286}, &#39;positions_mse&#39;: {&#39;total&#39;: 133.68051147460938, &#39;numel&#39;: 60, &#39;metric&#39;: 2.228008524576823}}
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:18 (INFO): {&#39;energy_mae&#39;: {&#39;total&#39;: 0.5329724550247192, &#39;numel&#39;: 1, &#39;metric&#39;: 0.5329724550247192}, &#39;energy_mse&#39;: {&#39;total&#39;: 0.28405964374542236, &#39;numel&#39;: 1, &#39;metric&#39;: 0.28405964374542236}, &#39;energy_within_threshold&#39;: {&#39;total&#39;: 0, &#39;numel&#39;: 1, &#39;metric&#39;: 0.0}}
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="visualize-ml-driven-relaxations">
-<h3>Visualize ML-driven relaxations<a class="headerlink" href="#visualize-ml-driven-relaxations" title="Link to this heading">#</a></h3>
-<p>Following our earlier <a class="reference internal" href="#data-description"><span class="xref myst">visualization steps</span></a>, we can plot our ML-generated relaxations.</p>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">glob</span>
-<span class="kn">import</span> <span class="nn">ase.io</span>
-<span class="kn">from</span> <span class="nn">ase.visualize.plot</span> <span class="kn">import</span> <span class="n">plot_atoms</span>
-<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
-<span class="kn">import</span> <span class="nn">random</span>
-<span class="kn">import</span> <span class="nn">matplotlib</span>
-
-<span class="n">params</span> <span class="o">=</span> <span class="p">{</span>
-   <span class="s1">&#39;axes.labelsize&#39;</span><span class="p">:</span> <span class="mi">14</span><span class="p">,</span>
-   <span class="s1">&#39;font.size&#39;</span><span class="p">:</span> <span class="mi">14</span><span class="p">,</span>
-   <span class="s1">&#39;font.family&#39;</span><span class="p">:</span> <span class="s1">&#39; DejaVu Sans&#39;</span><span class="p">,</span>
-   <span class="s1">&#39;legend.fontsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
-   <span class="s1">&#39;xtick.labelsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
-   <span class="s1">&#39;ytick.labelsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
-   <span class="s1">&#39;axes.labelsize&#39;</span><span class="p">:</span> <span class="mi">25</span><span class="p">,</span>
-   <span class="s1">&#39;axes.titlesize&#39;</span><span class="p">:</span> <span class="mi">25</span><span class="p">,</span>
-   <span class="s1">&#39;text.usetex&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
-   <span class="s1">&#39;figure.figsize&#39;</span><span class="p">:</span> <span class="p">[</span><span class="mi">12</span><span class="p">,</span> <span class="mi">12</span><span class="p">]</span>
-<span class="p">}</span>
-<span class="n">matplotlib</span><span class="o">.</span><span class="n">rcParams</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">params</span><span class="p">)</span>
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">system</span> <span class="o">=</span> <span class="n">glob</span><span class="o">.</span><span class="n">glob</span><span class="p">(</span><span class="s2">&quot;ml-relaxations/is2rs-test/*.traj&quot;</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
-<span class="n">ml_trajectory</span> <span class="o">=</span> <span class="n">ase</span><span class="o">.</span><span class="n">io</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="n">system</span><span class="p">,</span> <span class="s2">&quot;:&quot;</span><span class="p">)</span>
-
-<span class="n">energies</span> <span class="o">=</span> <span class="p">[</span><span class="n">atom</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">()</span> <span class="k">for</span> <span class="n">atom</span> <span class="ow">in</span> <span class="n">ml_trajectory</span><span class="p">]</span>
-
-<span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">7</span><span class="p">,</span> <span class="mi">5</span><span class="p">))</span>
-<span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">energies</span><span class="p">)),</span> <span class="n">energies</span><span class="p">)</span>
-<span class="n">plt</span><span class="o">.</span><span class="n">xlabel</span><span class="p">(</span><span class="s2">&quot;step&quot;</span><span class="p">)</span>
-<span class="n">plt</span><span class="o">.</span><span class="n">ylabel</span><span class="p">(</span><span class="s2">&quot;energy, eV&quot;</span><span class="p">)</span>
-<span class="n">system</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;ml-relaxations/is2rs-test/1700380.traj&#39;
-</pre></div>
-</div>
-<img alt="../_images/50c8e6d9d4ff36851865c963e5b0dbec8644e6b8165949be66d93ad908a3a94c.png" src="../_images/50c8e6d9d4ff36851865c963e5b0dbec8644e6b8165949be66d93ad908a3a94c.png" />
-</div>
-</div>
-<p>Qualitatively, the ML relaxation is behaving as expected - decreasing energies over the course of the relaxation.</p>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">fig</span><span class="p">,</span> <span class="n">ax</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplots</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">)</span>
-<span class="n">labels</span> <span class="o">=</span> <span class="p">[</span><span class="s1">&#39;ml-initial&#39;</span><span class="p">,</span> <span class="s1">&#39;ml-middle&#39;</span><span class="p">,</span> <span class="s1">&#39;ml-final&#39;</span><span class="p">]</span>
-<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">):</span>
-    <span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">axis</span><span class="p">(</span><span class="s1">&#39;off&#39;</span><span class="p">)</span>
-    <span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="n">labels</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
-
-<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
-    <span class="n">ml_trajectory</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span>
-    <span class="n">ax</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span>
-    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
-    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;)) # uncomment to visualize at different angles</span>
-<span class="p">)</span>
-<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
-    <span class="n">ml_trajectory</span><span class="p">[</span><span class="mi">100</span><span class="p">],</span>
-    <span class="n">ax</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span>
-    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
-    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;) # uncomment to visualize at different angles</span>
-<span class="p">)</span>
-<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
-    <span class="n">ml_trajectory</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span>
-    <span class="n">ax</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span>
-    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
-    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;), # uncomment to visualize at different angles</span>
-<span class="p">)</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;Axes: title={&#39;center&#39;: &#39;ml-final&#39;}&gt;
-</pre></div>
-</div>
-<img alt="../_images/dd5a6f98208aaa1c5ff0b1c91baebe0a2cd7bc24bdda4bc2cd0905198d1021e9.png" src="../_images/dd5a6f98208aaa1c5ff0b1c91baebe0a2cd7bc24bdda4bc2cd0905198d1021e9.png" />
-</div>
-</div>
-<p>Qualitatively, the generated structures seem reasonable with no obvious issues we had previously mentioned to look out for.</p>
-</section>
-</section>
-</section>
-<section class="tex2jax_ignore mathjax_ignore" id="model-development">
-<h1>Model development <a name="model-dev"></a><a class="headerlink" href="#model-development" title="Link to this heading">#</a></h1>
-<p>In this section, we will walk through how to develop a simple Graph Neural Network model on the S2EF-200k dataset.</p>
-<p>Let’s begin by setting up some imports and boilerplate config parameters.</p>
-<section id="id13">
-<h2>Imports<a class="headerlink" href="#id13" title="Link to this heading">#</a></h2>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">torch</span>
-
-<span class="kn">from</span> <span class="nn">typing</span> <span class="kn">import</span> <span class="n">Optional</span>
-
-<span class="kn">from</span> <span class="nn">fairchem.core.trainers</span> <span class="kn">import</span> <span class="n">OCPTrainer</span>
-<span class="kn">from</span> <span class="nn">fairchem.core</span> <span class="kn">import</span> <span class="n">models</span>
-<span class="kn">from</span> <span class="nn">fairchem.core.common</span> <span class="kn">import</span> <span class="n">logger</span>
-<span class="kn">from</span> <span class="nn">fairchem.core.common.utils</span> <span class="kn">import</span> <span class="n">setup_logging</span><span class="p">,</span> <span class="n">get_pbc_distances</span>
-<span class="kn">from</span> <span class="nn">fairchem.core.common.registry</span> <span class="kn">import</span> <span class="n">registry</span>
-
-<span class="kn">from</span> <span class="nn">fairchem.core.models.gemnet.layers.radial_basis</span> <span class="kn">import</span> <span class="n">PolynomialEnvelope</span>
-
-<span class="kn">from</span> <span class="nn">torch_geometric.nn.models.schnet</span> <span class="kn">import</span> <span class="n">GaussianSmearing</span>
-<span class="kn">from</span> <span class="nn">torch_scatter</span> <span class="kn">import</span> <span class="n">scatter</span>
-</pre></div>
-</div>
-</div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">setup_logging</span><span class="p">()</span>
-
-<span class="c1"># Dataset paths</span>
-<span class="n">train_src</span> <span class="o">=</span> <span class="s2">&quot;data/s2ef/train_100&quot;</span>
-<span class="n">val_src</span> <span class="o">=</span> <span class="s2">&quot;data/s2ef/val_20&quot;</span>
-
-<span class="c1"># Configs</span>
-<span class="n">task</span> <span class="o">=</span> <span class="p">{</span>
-    <span class="s1">&#39;dataset&#39;</span><span class="p">:</span> <span class="s1">&#39;trajectory_lmdb&#39;</span><span class="p">,</span> <span class="c1"># dataset used for the S2EF task</span>
-    <span class="s1">&#39;description&#39;</span><span class="p">:</span> <span class="s1">&#39;Regressing to energies and forces for DFT trajectories from OCP&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;type&#39;</span><span class="p">:</span> <span class="s1">&#39;regression&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;metric&#39;</span><span class="p">:</span> <span class="s1">&#39;mae&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;labels&#39;</span><span class="p">:</span> <span class="p">[</span><span class="s1">&#39;potential energy&#39;</span><span class="p">],</span>
-    <span class="s1">&#39;grad_input&#39;</span><span class="p">:</span> <span class="s1">&#39;atomic forces&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;train_on_free_atoms&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
-    <span class="s1">&#39;eval_on_free_atoms&#39;</span><span class="p">:</span> <span class="kc">True</span>
-<span class="p">}</span>
-
-<span class="c1"># Optimizer</span>
-<span class="n">optimizer</span> <span class="o">=</span> <span class="p">{</span>
-    <span class="s1">&#39;batch_size&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span> <span class="c1"># if hitting GPU memory issues, lower this</span>
-    <span class="s1">&#39;eval_batch_size&#39;</span><span class="p">:</span> <span class="mi">8</span><span class="p">,</span>
-    <span class="s1">&#39;num_workers&#39;</span><span class="p">:</span> <span class="mi">8</span><span class="p">,</span>
-    <span class="s1">&#39;lr_initial&#39;</span><span class="p">:</span> <span class="mf">0.0001</span><span class="p">,</span>
-    <span class="s1">&#39;scheduler&#39;</span><span class="p">:</span> <span class="s2">&quot;ReduceLROnPlateau&quot;</span><span class="p">,</span>
-    <span class="s1">&#39;mode&#39;</span><span class="p">:</span> <span class="s2">&quot;min&quot;</span><span class="p">,</span>
-    <span class="s1">&#39;factor&#39;</span><span class="p">:</span> <span class="mf">0.8</span><span class="p">,</span>
-    <span class="s1">&#39;patience&#39;</span><span class="p">:</span> <span class="mi">3</span><span class="p">,</span>
-    <span class="s1">&#39;max_epochs&#39;</span><span class="p">:</span> <span class="mi">80</span><span class="p">,</span>
-    <span class="s1">&#39;max_epochs&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">,</span>
-    <span class="s1">&#39;force_coefficient&#39;</span><span class="p">:</span> <span class="mi">100</span><span class="p">,</span>
-<span class="p">}</span>
-
-<span class="c1"># Dataset</span>
-<span class="n">dataset</span> <span class="o">=</span> <span class="p">[</span>
-  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">train_src</span><span class="p">,</span> <span class="s1">&#39;normalize_labels&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span> <span class="s1">&#39;target_mean&#39;</span><span class="p">:</span>  <span class="o">-</span><span class="mf">0.7554450631141663</span><span class="p">,</span> <span class="s1">&#39;target_std&#39;</span><span class="p">:</span> <span class="mf">2.887317180633545</span><span class="p">,</span> <span class="s1">&#39;grad_target_mean&#39;</span><span class="p">:</span> <span class="mf">0.0</span><span class="p">,</span> <span class="s1">&#39;grad_target_std&#39;</span><span class="p">:</span> <span class="mf">2.887317180633545</span><span class="p">},</span> <span class="c1"># train set</span>
-  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span>
-<span class="p">]</span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="atom-and-edge-embeddings">
-<h2>Atom and Edge Embeddings<a class="headerlink" href="#atom-and-edge-embeddings" title="Link to this heading">#</a></h2>
-<p>Each atom is represented as a node with its features computed using a simple <code class="docutils literal notranslate"><span class="pre">torch.nn.Embedding</span></code> layer on the atomic number.</p>
-<p>All pairs of atoms with a defined cutoff radius (=6A) are assumed to have edges between them, with their features computed as the concatenation of 1) a Gaussian expansion of the distance between the atoms, and the 2) source and 3) target
-node features.</p>
-<p>We will use the <code class="docutils literal notranslate"><span class="pre">GaussianSmearing</span></code> layer (reproduced below) from the PyTorch Geometric library for computing distance features:</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="k">class</span> <span class="nc">GaussianSmearing</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">start</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">stop</span><span class="o">=</span><span class="mf">5.0</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="o">=</span><span class="mi">50</span><span class="p">):</span>
-        <span class="nb">super</span><span class="p">(</span><span class="n">GaussianSmearing</span><span class="p">,</span> <span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
-        <span class="n">offset</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="n">start</span><span class="p">,</span> <span class="n">stop</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="p">)</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">=</span> <span class="o">-</span><span class="mf">0.5</span> <span class="o">/</span> <span class="p">(</span><span class="n">offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">offset</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span><span class="o">.</span><span class="n">item</span><span class="p">()</span><span class="o">**</span><span class="mi">2</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">register_buffer</span><span class="p">(</span><span class="s1">&#39;offset&#39;</span><span class="p">,</span> <span class="n">offset</span><span class="p">)</span>
-
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dist</span><span class="p">):</span>
-        <span class="n">dist</span> <span class="o">=</span> <span class="n">dist</span><span class="o">.</span><span class="n">view</span><span class="p">(</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span> <span class="o">-</span> <span class="bp">self</span><span class="o">.</span><span class="n">offset</span><span class="o">.</span><span class="n">view</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="o">-</span><span class="mi">1</span><span class="p">)</span>
-        <span class="k">return</span> <span class="n">torch</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">*</span> <span class="n">torch</span><span class="o">.</span><span class="n">pow</span><span class="p">(</span><span class="n">dist</span><span class="p">,</span> <span class="mi">2</span><span class="p">))</span>
-</pre></div>
-</div>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="k">class</span> <span class="nc">AtomEmbedding</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">):</span>
-        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">embeddings</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Embedding</span><span class="p">(</span><span class="mi">83</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">)</span> <span class="c1"># We go up to Bi (83).</span>
-
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">Z</span><span class="p">):</span>
-        <span class="n">h</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">embeddings</span><span class="p">(</span><span class="n">Z</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>  <span class="c1"># -1 because Z.min()=1 (==Hydrogen)</span>
-        <span class="k">return</span> <span class="n">h</span>
-
-<span class="k">class</span> <span class="nc">EdgeEmbedding</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atom_emb_size</span><span class="p">,</span> <span class="n">edge_emb_size</span><span class="p">,</span> <span class="n">out_size</span><span class="p">):</span>
-        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
-        <span class="n">in_features</span> <span class="o">=</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">atom_emb_size</span> <span class="o">+</span> <span class="n">edge_emb_size</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">dense</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Sequential</span><span class="p">(</span>
-            <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">in_features</span><span class="p">,</span> <span class="n">out_size</span><span class="p">,</span> <span class="n">bias</span><span class="o">=</span><span class="kc">False</span><span class="p">),</span>
-            <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">SiLU</span><span class="p">()</span>
-        <span class="p">)</span>
-
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">h</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">,</span> <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span>
-    <span class="p">):</span>
-        <span class="n">h_s</span> <span class="o">=</span> <span class="n">h</span><span class="p">[</span><span class="n">idx_s</span><span class="p">]</span>  <span class="c1"># indexing source node, shape=(num_edges, emb_size)</span>
-        <span class="n">h_t</span> <span class="o">=</span> <span class="n">h</span><span class="p">[</span><span class="n">idx_t</span><span class="p">]</span>  <span class="c1"># indexing target node, shape=(num_edges, emb_size)</span>
-
-        <span class="n">m_st</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">cat</span><span class="p">([</span><span class="n">h_s</span><span class="p">,</span> <span class="n">h_t</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">],</span> <span class="n">dim</span><span class="o">=-</span><span class="mi">1</span><span class="p">)</span>  <span class="c1"># (num_edges, 2 * atom_emb_size + edge_emb_size)</span>
-        <span class="n">m_st</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">dense</span><span class="p">(</span><span class="n">m_st</span><span class="p">)</span>  <span class="c1"># (num_edges, out_size)</span>
-        <span class="k">return</span> <span class="n">m_st</span>
-
-<span class="k">class</span> <span class="nc">RadialBasis</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">num_radial</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">cutoff</span><span class="p">:</span> <span class="nb">float</span><span class="p">,</span> <span class="n">env_exponent</span><span class="p">:</span> <span class="nb">int</span> <span class="o">=</span> <span class="mi">5</span><span class="p">):</span>
-        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">inv_cutoff</span> <span class="o">=</span> <span class="mi">1</span> <span class="o">/</span> <span class="n">cutoff</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">envelope</span> <span class="o">=</span> <span class="n">PolynomialEnvelope</span><span class="p">(</span><span class="n">env_exponent</span><span class="p">)</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">rbf</span> <span class="o">=</span> <span class="n">GaussianSmearing</span><span class="p">(</span><span class="n">start</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">stop</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="o">=</span><span class="n">num_radial</span><span class="p">)</span>
-
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">d</span><span class="p">):</span>
-        <span class="n">d_scaled</span> <span class="o">=</span> <span class="n">d</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">inv_cutoff</span>
-        <span class="n">env</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">envelope</span><span class="p">(</span><span class="n">d_scaled</span><span class="p">)</span>
-        <span class="k">return</span> <span class="n">env</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">rbf</span><span class="p">(</span><span class="n">d_scaled</span><span class="p">)</span>  <span class="c1"># (num_edges, num_radial)</span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="message-passing">
-<h2>Message passing<a class="headerlink" href="#message-passing" title="Link to this heading">#</a></h2>
-<p>We start by implementing a very simple message-passing scheme to predict system energy and forces.</p>
-<p>Given the node and edge features, we sum up edge features for all edges <span class="math notranslate nohighlight">\(e_{ij}\)</span> connecting node <span class="math notranslate nohighlight">\(i\)</span> to its neighbors <span class="math notranslate nohighlight">\(j\)</span>, and pass the resultant vector through a fully-connected layer to project it down to a scalar. This gives us a scalar energy contribution for each node <span class="math notranslate nohighlight">\(i\)</span> in the structure. We then sum up all node energy contributions to predict the overall system energy.</p>
-<p>Similarly, to predict forces, we pass edge features through a fully-connected layer to project it down to a scalar representing the force magnitude per edge <span class="math notranslate nohighlight">\(e_{ij}\)</span>. We can then sum up these force magnitudes based on the original edge directions to predict the resultant force vector per node <span class="math notranslate nohighlight">\(i\)</span>.</p>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="nd">@registry</span><span class="o">.</span><span class="n">register_model</span><span class="p">(</span><span class="s2">&quot;simple&quot;</span><span class="p">)</span>
-<span class="k">class</span> <span class="nc">SimpleAtomEdgeModel</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
-    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">num_atoms</span><span class="p">,</span> <span class="n">bond_feat_dim</span><span class="p">,</span> <span class="n">num_targets</span><span class="p">,</span> <span class="n">emb_size</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">num_radial</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">cutoff</span><span class="o">=</span><span class="mf">6.0</span><span class="p">,</span> <span class="n">env_exponent</span><span class="o">=</span><span class="mi">5</span><span class="p">):</span>
-        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
-
-        <span class="bp">self</span><span class="o">.</span><span class="n">radial_basis</span> <span class="o">=</span> <span class="n">RadialBasis</span><span class="p">(</span>
-            <span class="n">num_radial</span><span class="o">=</span><span class="n">num_radial</span><span class="p">,</span>
-            <span class="n">cutoff</span><span class="o">=</span><span class="n">cutoff</span><span class="p">,</span>
-            <span class="n">env_exponent</span><span class="o">=</span><span class="n">env_exponent</span><span class="p">,</span>
-        <span class="p">)</span>
-
-        <span class="bp">self</span><span class="o">.</span><span class="n">atom_emb</span> <span class="o">=</span> <span class="n">AtomEmbedding</span><span class="p">(</span><span class="n">emb_size</span><span class="p">)</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">edge_emb</span> <span class="o">=</span> <span class="n">EdgeEmbedding</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="n">num_radial</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">)</span>
-
-        <span class="bp">self</span><span class="o">.</span><span class="n">out_energy</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span>
-        <span class="bp">self</span><span class="o">.</span><span class="n">out_forces</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span>
-
-    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">data</span><span class="p">):</span>
-        <span class="n">batch</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">batch</span>
-        <span class="n">atomic_numbers</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">atomic_numbers</span><span class="o">.</span><span class="n">long</span><span class="p">()</span>
-        <span class="n">edge_index</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">edge_index</span>
-        <span class="n">cell_offsets</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">cell_offsets</span>
-        <span class="n">neighbors</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">neighbors</span>
-
-        <span class="c1"># computing edges and distances taking periodic boundary conditions into account</span>
-        <span class="n">out</span> <span class="o">=</span> <span class="n">get_pbc_distances</span><span class="p">(</span>
-            <span class="n">data</span><span class="o">.</span><span class="n">pos</span><span class="p">,</span>
-            <span class="n">edge_index</span><span class="p">,</span>
-            <span class="n">data</span><span class="o">.</span><span class="n">cell</span><span class="p">,</span>
-            <span class="n">cell_offsets</span><span class="p">,</span>
-            <span class="n">neighbors</span><span class="p">,</span>
-            <span class="n">return_offsets</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span>
-            <span class="n">return_distance_vec</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span>
-        <span class="p">)</span>
-
-        <span class="n">edge_index</span> <span class="o">=</span> <span class="n">out</span><span class="p">[</span><span class="s2">&quot;edge_index&quot;</span><span class="p">]</span>
-        <span class="n">D_st</span> <span class="o">=</span> <span class="n">out</span><span class="p">[</span><span class="s2">&quot;distances&quot;</span><span class="p">]</span>
-        <span class="n">V_st</span> <span class="o">=</span> <span class="o">-</span><span class="n">out</span><span class="p">[</span><span class="s2">&quot;distance_vec&quot;</span><span class="p">]</span> <span class="o">/</span> <span class="n">D_st</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">]</span>
-
-        <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span> <span class="o">=</span> <span class="n">edge_index</span>
-
-        <span class="c1"># embed atoms</span>
-        <span class="n">h_atom</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">atom_emb</span><span class="p">(</span><span class="n">atomic_numbers</span><span class="p">)</span>
-
-        <span class="c1"># gaussian expansion of distances D_st</span>
-        <span class="n">m_rbf</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">radial_basis</span><span class="p">(</span><span class="n">D_st</span><span class="p">)</span>
-        <span class="c1"># embed edges</span>
-        <span class="n">m</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">edge_emb</span><span class="p">(</span><span class="n">h_atom</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">,</span> <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">)</span>
-
-        <span class="c1"># read out energy</span>
-        <span class="c1">#</span>
-        <span class="c1"># x_E_i = \sum_j m_ji -- summing up edge features m_ji for all neighbors j</span>
-        <span class="c1"># of node i to predict node i&#39;s energy contribution.</span>
-        <span class="n">x_E</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">h_atom</span><span class="o">.</span><span class="n">shape</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;sum&quot;</span><span class="p">)</span>
-        <span class="n">x_E</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">out_energy</span><span class="p">(</span><span class="n">x_E</span><span class="p">)</span>
-
-        <span class="c1"># E = \sum_i x_E_i</span>
-        <span class="n">num_systems</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">batch</span><span class="p">)</span><span class="o">+</span><span class="mi">1</span>
-        <span class="n">E</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">x_E</span><span class="p">,</span> <span class="n">batch</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">num_systems</span><span class="p">,</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;add&quot;</span><span class="p">)</span>
-        <span class="c1"># (num_systems, 1)</span>
-
-        <span class="c1"># read out forces</span>
-        <span class="c1">#</span>
-        <span class="c1"># x_F is the force magnitude per edge, we multiply that by the direction of each edge ji,</span>
-        <span class="c1"># and sum up all the vectors to predict the resultant force on node i</span>
-        <span class="n">x_F</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">out_forces</span><span class="p">(</span><span class="n">m</span><span class="p">)</span>
-        <span class="n">F_st_vec</span> <span class="o">=</span> <span class="n">x_F</span><span class="p">[:,</span> <span class="p">:,</span> <span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">V_st</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">,</span> <span class="p">:]</span>
-        <span class="n">F</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">F_st_vec</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">atomic_numbers</span><span class="o">.</span><span class="n">size</span><span class="p">(</span><span class="mi">0</span><span class="p">),</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;add&quot;</span><span class="p">)</span>
-        <span class="c1"># (num_atoms, num_targets, 3)</span>
-        <span class="n">F</span> <span class="o">=</span> <span class="n">F</span><span class="o">.</span><span class="n">squeeze</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
-
-        <span class="k">return</span> <span class="p">{</span><span class="s2">&quot;energy&quot;</span><span class="p">:</span> <span class="n">E</span><span class="p">,</span> <span class="s2">&quot;forces&quot;</span><span class="p">:</span> <span class="n">F</span><span class="p">}</span>
-
-    <span class="nd">@property</span>
-    <span class="k">def</span> <span class="nf">num_params</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
-        <span class="k">return</span> <span class="nb">sum</span><span class="p">(</span><span class="n">p</span><span class="o">.</span><span class="n">numel</span><span class="p">()</span> <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameters</span><span class="p">())</span>
-</pre></div>
-</div>
-</div>
-</div>
-</section>
-<section id="training-the-model">
-<h2>Training the model<a class="headerlink" href="#training-the-model" title="Link to this heading">#</a></h2>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">model_params</span> <span class="o">=</span> <span class="p">{</span>
-    <span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;simple&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
-    <span class="s1">&#39;num_radial&#39;</span><span class="p">:</span> <span class="mi">128</span><span class="p">,</span>
-    <span class="s1">&#39;cutoff&#39;</span><span class="p">:</span> <span class="mf">6.0</span><span class="p">,</span>
-    <span class="s1">&#39;env_exponent&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">,</span>
-<span class="p">}</span>
-
-<span class="n">trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
-    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
-    <span class="n">model</span><span class="o">=</span><span class="n">model_params</span><span class="p">,</span>
-    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
-    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
-    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
-    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-simple&quot;</span><span class="p">,</span>
-    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
-    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
-    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
-    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
-    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
-    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
-    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
-<span class="p">)</span>
-
-<span class="n">trainer</span><span class="o">.</span><span class="n">train</span><span class="p">()</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-52-32-S2EF-simple
-  commit: 00de11a
-  identifier: S2EF-simple
-  logs_dir: ./logs/tensorboard/2024-05-17-19-52-32-S2EF-simple
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-52-32-S2EF-simple
-  seed: 0
-  timestamp_id: 2024-05-17-19-52-32-S2EF-simple
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: trajectory_lmdb
-  grad_target_mean: 0.0
-  grad_target_std: 2.887317180633545
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: true
-  src: data/s2ef/train_100
-  target_mean: -0.7554450631141663
-  target_std: 2.887317180633545
-  transforms:
-    normalizer:
-      energy:
-        mean: -0.7554450631141663
-        stdev: 2.887317180633545
-      forces:
-        mean: 0.0
-        stdev: 2.887317180633545
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: simple
-model_attributes:
-  cutoff: 6.0
-  emb_size: 256
-  env_exponent: 5
-  num_radial: 128
-noddp: false
-optim:
-  batch_size: 16
-  eval_batch_size: 8
-  factor: 0.8
-  force_coefficient: 100
-  lr_initial: 0.0001
-  max_epochs: 5
-  mode: min
-  num_workers: 8
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: trajectory_lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  train_on_free_atoms: true
-  type: regression
-trainer: s2ef
-val_dataset:
-  src: data/s2ef/val_20
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): Loading dataset: trajectory_lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): Loading model: simple
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:20 (INFO): Loaded SimpleAtomEdgeModel with 185602 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/utils/data/dataloader.py:558: UserWarning: This DataLoader will create 8 worker processes in total. Our suggested max number of worker in current system is 4, which is smaller than what this DataLoader is going to create. Please be aware that excessive worker creation might get DataLoader running slow or even freeze, lower the worker number to avoid potential slowness/freeze if necessary.
-  warnings.warn(_create_warning_msg(
-2024-05-17 19:53:20 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:23 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 3.87e+02, forcesx_mae: 3.03e-01, forcesy_mae: 4.22e-01, forcesz_mae: 1.41e+00, forces_mae: 7.13e-01, forces_cosine_similarity: 3.98e-02, forces_magnitude_error: 1.36e+00, loss: 1.90e+02, lr: 1.00e-04, epoch: 7.14e-01, step: 5.00e+00
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:24 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00, 14.11it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:00&lt;00:00,  7.44it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:24 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 181.3459, forcesx_mae: 0.2960, forcesy_mae: 0.2326, forcesz_mae: 0.8845, forces_mae: 0.4710, forces_cosine_similarity: -0.0539, forces_magnitude_error: 0.7951, loss: 98.3021, epoch: 1.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:27 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.87e+02, forcesx_mae: 2.43e-01, forcesy_mae: 4.10e-01, forcesz_mae: 1.07e+00, forces_mae: 5.76e-01, forces_cosine_similarity: -2.68e-02, forces_magnitude_error: 1.04e+00, loss: 1.38e+02, lr: 1.00e-04, epoch: 1.43e+00, step: 1.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:29 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:00,  7.25it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:00&lt;00:00,  6.96it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:30 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 181.0137, forcesx_mae: 0.3346, forcesy_mae: 0.2852, forcesz_mae: 0.9165, forces_mae: 0.5121, forces_cosine_similarity: -0.0387, forces_magnitude_error: 0.8785, loss: 100.9322, epoch: 2.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:32 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.48e+02, forcesx_mae: 2.45e-01, forcesy_mae: 3.78e-01, forcesz_mae: 8.57e-01, forces_mae: 4.93e-01, forces_cosine_similarity: -9.92e-03, forces_magnitude_error: 8.38e-01, loss: 8.18e+01, lr: 1.00e-04, epoch: 2.14e+00, step: 1.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:34 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 8.83e+01, forcesx_mae: 2.07e-01, forcesy_mae: 2.87e-01, forcesz_mae: 7.42e-01, forces_mae: 4.12e-01, forces_cosine_similarity: 5.41e-02, forces_magnitude_error: 6.96e-01, loss: 6.17e+01, lr: 1.00e-04, epoch: 2.86e+00, step: 2.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:34 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:00,  9.61it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:00&lt;00:00,  7.13it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:35 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 181.1997, forcesx_mae: 0.3253, forcesy_mae: 0.2719, forcesz_mae: 0.9549, forces_mae: 0.5174, forces_cosine_similarity: -0.0524, forces_magnitude_error: 0.8993, loss: 101.7762, epoch: 3.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:38 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 7.72e+01, forcesx_mae: 1.69e-01, forcesy_mae: 2.14e-01, forcesz_mae: 5.86e-01, forces_mae: 3.23e-01, forces_cosine_similarity: -5.92e-02, forces_magnitude_error: 4.86e-01, loss: 5.41e+01, lr: 1.00e-04, epoch: 3.57e+00, step: 2.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:39 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00, 14.65it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:00&lt;00:00,  6.97it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:40 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 182.4001, forcesx_mae: 0.3315, forcesy_mae: 0.2815, forcesz_mae: 0.9607, forces_mae: 0.5246, forces_cosine_similarity: -0.0449, forces_magnitude_error: 0.9166, loss: 102.7514, epoch: 4.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:43 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.02e+02, forcesx_mae: 1.51e-01, forcesy_mae: 2.59e-01, forcesz_mae: 3.91e-01, forces_mae: 2.67e-01, forces_cosine_similarity: 2.43e-02, forces_magnitude_error: 4.32e-01, loss: 5.62e+01, lr: 1.00e-04, epoch: 4.29e+00, step: 3.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:45 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 4.68e+01, forcesx_mae: 1.76e-01, forcesy_mae: 2.78e-01, forcesz_mae: 3.97e-01, forces_mae: 2.84e-01, forces_cosine_similarity: -9.27e-03, forces_magnitude_error: 4.19e-01, loss: 3.96e+01, lr: 1.00e-04, epoch: 5.00e+00, step: 3.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:45 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00, 13.54it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:00&lt;00:00,  6.64it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 185.2267, forcesx_mae: 0.3320, forcesy_mae: 0.2803, forcesz_mae: 0.9892, forces_mae: 0.5338, forces_cosine_similarity: -0.0477, forces_magnitude_error: 0.9421, loss: 104.6033, epoch: 5.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
-</div>
-<p>If you’ve wired everything up correctly, this model should be relatively small (~185k params) and achieve a force MAE of 0.0815, force cosine of 0.0321, energy MAE of 2.2772 in 2 epochs.</p>
-<p>We encourage the reader to try playing with the embedding size, cutoff radius, number of gaussian basis functions, and polynomial envelope exponent to see how it affects performance.</p>
-</section>
-<section id="incorporating-triplets-and-training-gemnet-t">
-<h2>Incorporating triplets and training GemNet-T<a class="headerlink" href="#incorporating-triplets-and-training-gemnet-t" title="Link to this heading">#</a></h2>
-<p>Recall how this model computes edge embeddings based only on a Gaussian expansion of edge distances.</p>
-<p>To better capture 3D geometry, we should also embed angles formed by triplets or quadruplets of atoms. A model that incorporates this idea and works quite well is GemNet (Klicpera et al., NeurIPS 2021); see the following figure.</p>
-<p><img alt="Screen Shot 2021-11-22 at 3.58.24 PM.png" src="data:image/png;base64,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" /></p>
-<p>You can train a GemNet-T (T = triplets) on S2EF-200k using the following config.</p>
-<p>Note that this is a significantly bulkier model (~3.4M params) than the one we developed above and will take longer to train.</p>
-<div class="cell docutils container">
-<div class="cell_input docutils container">
-<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">model_params</span> <span class="o">=</span> <span class="p">{</span>
-    <span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;gemnet_t&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;num_spherical&#39;</span><span class="p">:</span> <span class="mi">7</span><span class="p">,</span>
-    <span class="s1">&#39;num_radial&#39;</span><span class="p">:</span> <span class="mi">128</span><span class="p">,</span>
-    <span class="s1">&#39;num_blocks&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_atom&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_edge&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_trip&#39;</span><span class="p">:</span> <span class="mi">64</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_rbf&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_cbf&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span>
-    <span class="s1">&#39;emb_size_bil_trip&#39;</span><span class="p">:</span> <span class="mi">64</span><span class="p">,</span>
-    <span class="s1">&#39;num_before_skip&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
-    <span class="s1">&#39;num_after_skip&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
-    <span class="s1">&#39;num_concat&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
-    <span class="s1">&#39;num_atom&#39;</span><span class="p">:</span> <span class="mi">3</span><span class="p">,</span>
-    <span class="s1">&#39;cutoff&#39;</span><span class="p">:</span> <span class="mf">6.0</span><span class="p">,</span>
-    <span class="s1">&#39;max_neighbors&#39;</span><span class="p">:</span> <span class="mi">50</span><span class="p">,</span>
-    <span class="s1">&#39;rbf&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;gaussian&#39;</span><span class="p">},</span>
-    <span class="s1">&#39;envelope&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;polynomial&#39;</span><span class="p">,</span> <span class="s1">&#39;exponent&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">},</span>
-    <span class="s1">&#39;cbf&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;spherical_harmonics&#39;</span><span class="p">},</span>
-    <span class="s1">&#39;extensive&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
-    <span class="s1">&#39;otf_graph&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
-    <span class="s1">&#39;output_init&#39;</span><span class="p">:</span> <span class="s1">&#39;HeOrthogonal&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;activation&#39;</span><span class="p">:</span> <span class="s1">&#39;silu&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;scale_file&#39;</span><span class="p">:</span> <span class="s1">&#39;./gemnet-dT.json&#39;</span><span class="p">,</span>
-    <span class="s1">&#39;regress_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
-    <span class="s1">&#39;direct_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
-<span class="p">}</span>
-
-<span class="n">trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
-    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
-    <span class="n">model</span><span class="o">=</span><span class="n">model_params</span><span class="p">,</span>
-    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
-    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
-    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
-    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
-    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-gemnet-t&quot;</span><span class="p">,</span>
-    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
-    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
-    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
-    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
-    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
-    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
-    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
-<span class="p">)</span>
-
-<span class="n">trainer</span><span class="o">.</span><span class="n">train</span><span class="p">()</span>
-</pre></div>
-</div>
-</div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): amp: true
-cmd:
-  checkpoint_dir: ./checkpoints/2024-05-17-19-54-40-S2EF-gemnet-t
-  commit: 00de11a
-  identifier: S2EF-gemnet-t
-  logs_dir: ./logs/tensorboard/2024-05-17-19-54-40-S2EF-gemnet-t
-  print_every: 5
-  results_dir: ./results/2024-05-17-19-54-40-S2EF-gemnet-t
-  seed: 0
-  timestamp_id: 2024-05-17-19-54-40-S2EF-gemnet-t
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: trajectory_lmdb
-  grad_target_mean: 0.0
-  grad_target_std: 2.887317180633545
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: true
-  src: data/s2ef/train_100
-  target_mean: -0.7554450631141663
-  target_std: 2.887317180633545
-  transforms:
-    normalizer:
-      energy:
-        mean: -0.7554450631141663
-        stdev: 2.887317180633545
-      forces:
-        mean: 0.0
-        stdev: 2.887317180633545
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: tensorboard
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: true
-  emb_size_atom: 256
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 256
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 1
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 1
-  num_concat: 1
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: false
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: true
-  scale_file: ./gemnet-dT.json
-noddp: false
-optim:
-  batch_size: 16
-  eval_batch_size: 8
-  factor: 0.8
-  force_coefficient: 100
-  lr_initial: 0.0001
-  max_epochs: 5
-  mode: min
-  num_workers: 8
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: trajectory_lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  train_on_free_atoms: true
-  type: regression
-trainer: s2ef
-val_dataset:
-  src: data/s2ef/val_20
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): Loading dataset: trajectory_lmdb
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): rank: 0: Sampler created...
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): Batch balancing is disabled for single GPU training.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): Loading model: gemnet_t
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/utils/data/dataloader.py:558: UserWarning: This DataLoader will create 8 worker processes in total. Our suggested max number of worker in current system is 4, which is smaller than what this DataLoader is going to create. Please be aware that excessive worker creation might get DataLoader running slow or even freeze, lower the worker number to avoid potential slowness/freeze if necessary.
-  warnings.warn(_create_warning_msg(
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor TripInteraction_2_had_rbf not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor TripInteraction_2_sum_cbf not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor AtomUpdate_2_sum not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor TripInteraction_3_had_rbf not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor TripInteraction_3_sum_cbf not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor AtomUpdate_3_sum not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor OutBlock_2_sum not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor OutBlock_2_had not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor OutBlock_3_sum not found in model
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Scale factor OutBlock_3_had not found in model
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (INFO): Loaded GemNetT with 3360519 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:53:46 (WARNING): Model gradient logging to tensorboard not yet supported.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:54:23 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 8.43e+01, forcesx_mae: 2.74e+00, forcesy_mae: 3.89e+00, forcesz_mae: 2.89e+00, forces_mae: 3.17e+00, forces_cosine_similarity: -3.46e-02, forces_magnitude_error: 6.00e+00, loss: 2.46e+02, lr: 1.00e-04, epoch: 7.14e-01, step: 5.00e+00
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:54:32 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:01,  1.87it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00,  2.54it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  3.28it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  2.31it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:54:34 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 2.2356, forcesx_mae: 2.2589, forcesy_mae: 1.8025, forcesz_mae: 1.9335, forces_mae: 1.9983, forces_cosine_similarity: -0.1827, forces_magnitude_error: 3.7879, loss: 143.1054, epoch: 1.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:54:57 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 8.79e+01, forcesx_mae: 1.31e+00, forcesy_mae: 1.62e+00, forcesz_mae: 1.42e+00, forces_mae: 1.45e+00, forces_cosine_similarity: 1.16e-02, forces_magnitude_error: 2.67e+00, loss: 1.37e+02, lr: 1.00e-04, epoch: 1.43e+00, step: 1.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:55:19 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:01,  1.88it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00,  2.61it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  3.27it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  2.26it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:55:21 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 1.5906, forcesx_mae: 2.2641, forcesy_mae: 1.8005, forcesz_mae: 1.8728, forces_mae: 1.9791, forces_cosine_similarity: -0.1879, forces_magnitude_error: 3.7455, loss: 141.2371, epoch: 2.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:55:31 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 7.61e+01, forcesx_mae: 9.34e-01, forcesy_mae: 1.11e+00, forcesz_mae: 1.02e+00, forces_mae: 1.02e+00, forces_cosine_similarity: 1.95e-02, forces_magnitude_error: 1.79e+00, loss: 9.68e+01, lr: 1.00e-04, epoch: 2.14e+00, step: 1.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:05 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 3.94e+01, forcesx_mae: 6.71e-01, forcesy_mae: 7.64e-01, forcesz_mae: 7.18e-01, forces_mae: 7.18e-01, forces_cosine_similarity: 2.31e-02, forces_magnitude_error: 1.17e+00, loss: 6.32e+01, lr: 1.00e-04, epoch: 2.86e+00, step: 2.00e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:07 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:01,  1.79it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00,  2.46it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  3.13it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  2.16it/s]
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:09 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 3.0236, forcesx_mae: 2.2729, forcesy_mae: 1.7737, forcesz_mae: 1.8415, forces_mae: 1.9627, forces_cosine_similarity: -0.1836, forces_magnitude_error: 3.7070, loss: 140.1182, epoch: 3.0000
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:39 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 4.88e+01, forcesx_mae: 4.78e-01, forcesy_mae: 5.60e-01, forcesz_mae: 5.21e-01, forces_mae: 5.20e-01, forces_cosine_similarity: 4.65e-02, forces_magnitude_error: 8.15e-01, loss: 5.40e+01, lr: 1.00e-04, epoch: 3.57e+00, step: 2.50e+01
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:55 (INFO): Evaluating on val.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  33%|███▎      | 1/3 [00:00&lt;00:01,  1.80it/s]
+</section>
+<section id="visualize-ml-driven-relaxations">
+<h3>Visualize ML-driven relaxations<a class="headerlink" href="#visualize-ml-driven-relaxations" title="Link to this heading">#</a></h3>
+<p>Following our earlier <a class="reference internal" href="#data-description"><span class="xref myst">visualization steps</span></a>, we can plot our ML-generated relaxations.</p>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">glob</span>
+<span class="kn">import</span> <span class="nn">ase.io</span>
+<span class="kn">from</span> <span class="nn">ase.visualize.plot</span> <span class="kn">import</span> <span class="n">plot_atoms</span>
+<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
+<span class="kn">import</span> <span class="nn">random</span>
+<span class="kn">import</span> <span class="nn">matplotlib</span>
+
+<span class="n">params</span> <span class="o">=</span> <span class="p">{</span>
+   <span class="s1">&#39;axes.labelsize&#39;</span><span class="p">:</span> <span class="mi">14</span><span class="p">,</span>
+   <span class="s1">&#39;font.size&#39;</span><span class="p">:</span> <span class="mi">14</span><span class="p">,</span>
+   <span class="s1">&#39;font.family&#39;</span><span class="p">:</span> <span class="s1">&#39; DejaVu Sans&#39;</span><span class="p">,</span>
+   <span class="s1">&#39;legend.fontsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
+   <span class="s1">&#39;xtick.labelsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
+   <span class="s1">&#39;ytick.labelsize&#39;</span><span class="p">:</span> <span class="mi">20</span><span class="p">,</span>
+   <span class="s1">&#39;axes.labelsize&#39;</span><span class="p">:</span> <span class="mi">25</span><span class="p">,</span>
+   <span class="s1">&#39;axes.titlesize&#39;</span><span class="p">:</span> <span class="mi">25</span><span class="p">,</span>
+   <span class="s1">&#39;text.usetex&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+   <span class="s1">&#39;figure.figsize&#39;</span><span class="p">:</span> <span class="p">[</span><span class="mi">12</span><span class="p">,</span> <span class="mi">12</span><span class="p">]</span>
+<span class="p">}</span>
+<span class="n">matplotlib</span><span class="o">.</span><span class="n">rcParams</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">params</span><span class="p">)</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00,  2.57it/s]
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  3.28it/s]
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  2.19it/s]
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">system</span> <span class="o">=</span> <span class="n">glob</span><span class="o">.</span><span class="n">glob</span><span class="p">(</span><span class="s2">&quot;ml-relaxations/is2rs-test/*.traj&quot;</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
+<span class="n">ml_trajectory</span> <span class="o">=</span> <span class="n">ase</span><span class="o">.</span><span class="n">io</span><span class="o">.</span><span class="n">read</span><span class="p">(</span><span class="n">system</span><span class="p">,</span> <span class="s2">&quot;:&quot;</span><span class="p">)</span>
+
+<span class="n">energies</span> <span class="o">=</span> <span class="p">[</span><span class="n">atom</span><span class="o">.</span><span class="n">get_potential_energy</span><span class="p">()</span> <span class="k">for</span> <span class="n">atom</span> <span class="ow">in</span> <span class="n">ml_trajectory</span><span class="p">]</span>
+
+<span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">7</span><span class="p">,</span> <span class="mi">5</span><span class="p">))</span>
+<span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">energies</span><span class="p">)),</span> <span class="n">energies</span><span class="p">)</span>
+<span class="n">plt</span><span class="o">.</span><span class="n">xlabel</span><span class="p">(</span><span class="s2">&quot;step&quot;</span><span class="p">)</span>
+<span class="n">plt</span><span class="o">.</span><span class="n">ylabel</span><span class="p">(</span><span class="s2">&quot;energy, eV&quot;</span><span class="p">)</span>
+<span class="n">system</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:56:57 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 1.6152, forcesx_mae: 2.1384, forcesy_mae: 1.6930, forcesz_mae: 1.7895, forces_mae: 1.8736, forces_cosine_similarity: -0.1818, forces_magnitude_error: 3.5234, loss: 133.0624, epoch: 4.0000
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+<p>Qualitatively, the ML relaxation is behaving as expected - decreasing energies over the course of the relaxation.</p>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">fig</span><span class="p">,</span> <span class="n">ax</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplots</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">3</span><span class="p">)</span>
+<span class="n">labels</span> <span class="o">=</span> <span class="p">[</span><span class="s1">&#39;ml-initial&#39;</span><span class="p">,</span> <span class="s1">&#39;ml-middle&#39;</span><span class="p">,</span> <span class="s1">&#39;ml-final&#39;</span><span class="p">]</span>
+<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">):</span>
+    <span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">axis</span><span class="p">(</span><span class="s1">&#39;off&#39;</span><span class="p">)</span>
+    <span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="n">labels</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
+
+<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
+    <span class="n">ml_trajectory</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span>
+    <span class="n">ax</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span>
+    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
+    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;)) # uncomment to visualize at different angles</span>
+<span class="p">)</span>
+<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
+    <span class="n">ml_trajectory</span><span class="p">[</span><span class="mi">100</span><span class="p">],</span>
+    <span class="n">ax</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span>
+    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
+    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;) # uncomment to visualize at different angles</span>
+<span class="p">)</span>
+<span class="n">ase</span><span class="o">.</span><span class="n">visualize</span><span class="o">.</span><span class="n">plot</span><span class="o">.</span><span class="n">plot_atoms</span><span class="p">(</span>
+    <span class="n">ml_trajectory</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span>
+    <span class="n">ax</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span>
+    <span class="n">radii</span><span class="o">=</span><span class="mf">0.8</span><span class="p">,</span>
+    <span class="c1"># rotation=(&quot;-75x, 45y, 10z&quot;), # uncomment to visualize at different angles</span>
+<span class="p">)</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+<p>Qualitatively, the generated structures seem reasonable with no obvious issues we had previously mentioned to look out for.</p>
+</section>
+</section>
+</section>
+<section class="tex2jax_ignore mathjax_ignore" id="model-development">
+<h1>Model development <a name="model-dev"></a><a class="headerlink" href="#model-development" title="Link to this heading">#</a></h1>
+<p>In this section, we will walk through how to develop a simple Graph Neural Network model on the S2EF-200k dataset.</p>
+<p>Let’s begin by setting up some imports and boilerplate config parameters.</p>
+<section id="id13">
+<h2>Imports<a class="headerlink" href="#id13" title="Link to this heading">#</a></h2>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">torch</span>
+
+<span class="kn">from</span> <span class="nn">typing</span> <span class="kn">import</span> <span class="n">Optional</span>
+
+<span class="kn">from</span> <span class="nn">fairchem.core.trainers</span> <span class="kn">import</span> <span class="n">OCPTrainer</span>
+<span class="kn">from</span> <span class="nn">fairchem.core</span> <span class="kn">import</span> <span class="n">models</span>
+<span class="kn">from</span> <span class="nn">fairchem.core.common</span> <span class="kn">import</span> <span class="n">logger</span>
+<span class="kn">from</span> <span class="nn">fairchem.core.common.utils</span> <span class="kn">import</span> <span class="n">setup_logging</span><span class="p">,</span> <span class="n">get_pbc_distances</span>
+<span class="kn">from</span> <span class="nn">fairchem.core.common.registry</span> <span class="kn">import</span> <span class="n">registry</span>
+
+<span class="kn">from</span> <span class="nn">fairchem.core.models.gemnet.layers.radial_basis</span> <span class="kn">import</span> <span class="n">PolynomialEnvelope</span>
+
+<span class="kn">from</span> <span class="nn">torch_geometric.nn.models.schnet</span> <span class="kn">import</span> <span class="n">GaussianSmearing</span>
+<span class="kn">from</span> <span class="nn">torch_scatter</span> <span class="kn">import</span> <span class="n">scatter</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">setup_logging</span><span class="p">()</span>
+
+<span class="c1"># Dataset paths</span>
+<span class="n">train_src</span> <span class="o">=</span> <span class="s2">&quot;data/s2ef/train_100&quot;</span>
+<span class="n">val_src</span> <span class="o">=</span> <span class="s2">&quot;data/s2ef/val_20&quot;</span>
+
+<span class="c1"># Configs</span>
+<span class="n">task</span> <span class="o">=</span> <span class="p">{</span>
+    <span class="s1">&#39;dataset&#39;</span><span class="p">:</span> <span class="s1">&#39;trajectory_lmdb&#39;</span><span class="p">,</span> <span class="c1"># dataset used for the S2EF task</span>
+    <span class="s1">&#39;description&#39;</span><span class="p">:</span> <span class="s1">&#39;Regressing to energies and forces for DFT trajectories from OCP&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;type&#39;</span><span class="p">:</span> <span class="s1">&#39;regression&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;metric&#39;</span><span class="p">:</span> <span class="s1">&#39;mae&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;labels&#39;</span><span class="p">:</span> <span class="p">[</span><span class="s1">&#39;potential energy&#39;</span><span class="p">],</span>
+    <span class="s1">&#39;grad_input&#39;</span><span class="p">:</span> <span class="s1">&#39;atomic forces&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;train_on_free_atoms&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+    <span class="s1">&#39;eval_on_free_atoms&#39;</span><span class="p">:</span> <span class="kc">True</span>
+<span class="p">}</span>
+
+<span class="c1"># Optimizer</span>
+<span class="n">optimizer</span> <span class="o">=</span> <span class="p">{</span>
+    <span class="s1">&#39;batch_size&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span> <span class="c1"># if hitting GPU memory issues, lower this</span>
+    <span class="s1">&#39;eval_batch_size&#39;</span><span class="p">:</span> <span class="mi">8</span><span class="p">,</span>
+    <span class="s1">&#39;num_workers&#39;</span><span class="p">:</span> <span class="mi">8</span><span class="p">,</span>
+    <span class="s1">&#39;lr_initial&#39;</span><span class="p">:</span> <span class="mf">0.0001</span><span class="p">,</span>
+    <span class="s1">&#39;scheduler&#39;</span><span class="p">:</span> <span class="s2">&quot;ReduceLROnPlateau&quot;</span><span class="p">,</span>
+    <span class="s1">&#39;mode&#39;</span><span class="p">:</span> <span class="s2">&quot;min&quot;</span><span class="p">,</span>
+    <span class="s1">&#39;factor&#39;</span><span class="p">:</span> <span class="mf">0.8</span><span class="p">,</span>
+    <span class="s1">&#39;patience&#39;</span><span class="p">:</span> <span class="mi">3</span><span class="p">,</span>
+    <span class="s1">&#39;max_epochs&#39;</span><span class="p">:</span> <span class="mi">80</span><span class="p">,</span>
+    <span class="s1">&#39;max_epochs&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">,</span>
+    <span class="s1">&#39;force_coefficient&#39;</span><span class="p">:</span> <span class="mi">100</span><span class="p">,</span>
+<span class="p">}</span>
+
+<span class="c1"># Dataset</span>
+<span class="n">dataset</span> <span class="o">=</span> <span class="p">[</span>
+  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">train_src</span><span class="p">,</span> <span class="s1">&#39;normalize_labels&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span> <span class="s1">&#39;target_mean&#39;</span><span class="p">:</span>  <span class="o">-</span><span class="mf">0.7554450631141663</span><span class="p">,</span> <span class="s1">&#39;target_std&#39;</span><span class="p">:</span> <span class="mf">2.887317180633545</span><span class="p">,</span> <span class="s1">&#39;grad_target_mean&#39;</span><span class="p">:</span> <span class="mf">0.0</span><span class="p">,</span> <span class="s1">&#39;grad_target_std&#39;</span><span class="p">:</span> <span class="mf">2.887317180633545</span><span class="p">},</span> <span class="c1"># train set</span>
+  <span class="p">{</span><span class="s1">&#39;src&#39;</span><span class="p">:</span> <span class="n">val_src</span><span class="p">},</span>
+<span class="p">]</span>
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:13 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.94e+01, forcesx_mae: 4.26e-01, forcesy_mae: 5.73e-01, forcesz_mae: 4.49e-01, forces_mae: 4.82e-01, forces_cosine_similarity: 3.08e-02, forces_magnitude_error: 7.53e-01, loss: 4.45e+01, lr: 1.00e-04, epoch: 4.29e+00, step: 3.00e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:42 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 1.90e+01, forcesx_mae: 3.97e-01, forcesy_mae: 5.02e-01, forcesz_mae: 4.63e-01, forces_mae: 4.54e-01, forces_cosine_similarity: 9.63e-02, forces_magnitude_error: 6.46e-01, loss: 3.94e+01, lr: 1.00e-04, epoch: 5.00e+00, step: 3.50e+01
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:42 (INFO): Evaluating on val.
+</section>
+<section id="atom-and-edge-embeddings">
+<h2>Atom and Edge Embeddings<a class="headerlink" href="#atom-and-edge-embeddings" title="Link to this heading">#</a></h2>
+<p>Each atom is represented as a node with its features computed using a simple <code class="docutils literal notranslate"><span class="pre">torch.nn.Embedding</span></code> layer on the atomic number.</p>
+<p>All pairs of atoms with a defined cutoff radius (=6A) are assumed to have edges between them, with their features computed as the concatenation of 1) a Gaussian expansion of the distance between the atoms, and the 2) source and 3) target
+node features.</p>
+<p>We will use the <code class="docutils literal notranslate"><span class="pre">GaussianSmearing</span></code> layer (reproduced below) from the PyTorch Geometric library for computing distance features:</p>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="k">class</span> <span class="nc">GaussianSmearing</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">start</span><span class="o">=</span><span class="mf">0.0</span><span class="p">,</span> <span class="n">stop</span><span class="o">=</span><span class="mf">5.0</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="o">=</span><span class="mi">50</span><span class="p">):</span>
+        <span class="nb">super</span><span class="p">(</span><span class="n">GaussianSmearing</span><span class="p">,</span> <span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
+        <span class="n">offset</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="n">start</span><span class="p">,</span> <span class="n">stop</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="p">)</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">=</span> <span class="o">-</span><span class="mf">0.5</span> <span class="o">/</span> <span class="p">(</span><span class="n">offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-</span> <span class="n">offset</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span><span class="o">.</span><span class="n">item</span><span class="p">()</span><span class="o">**</span><span class="mi">2</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">register_buffer</span><span class="p">(</span><span class="s1">&#39;offset&#39;</span><span class="p">,</span> <span class="n">offset</span><span class="p">)</span>
+
+    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">dist</span><span class="p">):</span>
+        <span class="n">dist</span> <span class="o">=</span> <span class="n">dist</span><span class="o">.</span><span class="n">view</span><span class="p">(</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span> <span class="o">-</span> <span class="bp">self</span><span class="o">.</span><span class="n">offset</span><span class="o">.</span><span class="n">view</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="o">-</span><span class="mi">1</span><span class="p">)</span>
+        <span class="k">return</span> <span class="n">torch</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">*</span> <span class="n">torch</span><span class="o">.</span><span class="n">pow</span><span class="p">(</span><span class="n">dist</span><span class="p">,</span> <span class="mi">2</span><span class="p">))</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="k">class</span> <span class="nc">AtomEmbedding</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">):</span>
+        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">embeddings</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Embedding</span><span class="p">(</span><span class="mi">83</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">)</span> <span class="c1"># We go up to Bi (83).</span>
+
+    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">Z</span><span class="p">):</span>
+        <span class="n">h</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">embeddings</span><span class="p">(</span><span class="n">Z</span> <span class="o">-</span> <span class="mi">1</span><span class="p">)</span>  <span class="c1"># -1 because Z.min()=1 (==Hydrogen)</span>
+        <span class="k">return</span> <span class="n">h</span>
+
+<span class="k">class</span> <span class="nc">EdgeEmbedding</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atom_emb_size</span><span class="p">,</span> <span class="n">edge_emb_size</span><span class="p">,</span> <span class="n">out_size</span><span class="p">):</span>
+        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
+        <span class="n">in_features</span> <span class="o">=</span> <span class="mi">2</span> <span class="o">*</span> <span class="n">atom_emb_size</span> <span class="o">+</span> <span class="n">edge_emb_size</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">dense</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Sequential</span><span class="p">(</span>
+            <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">in_features</span><span class="p">,</span> <span class="n">out_size</span><span class="p">,</span> <span class="n">bias</span><span class="o">=</span><span class="kc">False</span><span class="p">),</span>
+            <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">SiLU</span><span class="p">()</span>
+        <span class="p">)</span>
+
+    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">h</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">,</span> <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span>
+    <span class="p">):</span>
+        <span class="n">h_s</span> <span class="o">=</span> <span class="n">h</span><span class="p">[</span><span class="n">idx_s</span><span class="p">]</span>  <span class="c1"># indexing source node, shape=(num_edges, emb_size)</span>
+        <span class="n">h_t</span> <span class="o">=</span> <span class="n">h</span><span class="p">[</span><span class="n">idx_t</span><span class="p">]</span>  <span class="c1"># indexing target node, shape=(num_edges, emb_size)</span>
+
+        <span class="n">m_st</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">cat</span><span class="p">([</span><span class="n">h_s</span><span class="p">,</span> <span class="n">h_t</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">],</span> <span class="n">dim</span><span class="o">=-</span><span class="mi">1</span><span class="p">)</span>  <span class="c1"># (num_edges, 2 * atom_emb_size + edge_emb_size)</span>
+        <span class="n">m_st</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">dense</span><span class="p">(</span><span class="n">m_st</span><span class="p">)</span>  <span class="c1"># (num_edges, out_size)</span>
+        <span class="k">return</span> <span class="n">m_st</span>
+
+<span class="k">class</span> <span class="nc">RadialBasis</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">num_radial</span><span class="p">:</span> <span class="nb">int</span><span class="p">,</span> <span class="n">cutoff</span><span class="p">:</span> <span class="nb">float</span><span class="p">,</span> <span class="n">env_exponent</span><span class="p">:</span> <span class="nb">int</span> <span class="o">=</span> <span class="mi">5</span><span class="p">):</span>
+        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">inv_cutoff</span> <span class="o">=</span> <span class="mi">1</span> <span class="o">/</span> <span class="n">cutoff</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">envelope</span> <span class="o">=</span> <span class="n">PolynomialEnvelope</span><span class="p">(</span><span class="n">env_exponent</span><span class="p">)</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">rbf</span> <span class="o">=</span> <span class="n">GaussianSmearing</span><span class="p">(</span><span class="n">start</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">stop</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span> <span class="n">num_gaussians</span><span class="o">=</span><span class="n">num_radial</span><span class="p">)</span>
+
+    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">d</span><span class="p">):</span>
+        <span class="n">d_scaled</span> <span class="o">=</span> <span class="n">d</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">inv_cutoff</span>
+        <span class="n">env</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">envelope</span><span class="p">(</span><span class="n">d_scaled</span><span class="p">)</span>
+        <span class="k">return</span> <span class="n">env</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="bp">self</span><span class="o">.</span><span class="n">rbf</span><span class="p">(</span><span class="n">d_scaled</span><span class="p">)</span>  <span class="c1"># (num_edges, num_radial)</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/3 [00:00&lt;?, ?it/s]
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
+</section>
+<section id="message-passing">
+<h2>Message passing<a class="headerlink" href="#message-passing" title="Link to this heading">#</a></h2>
+<p>We start by implementing a very simple message-passing scheme to predict system energy and forces.</p>
+<p>Given the node and edge features, we sum up edge features for all edges <span class="math notranslate nohighlight">\(e_{ij}\)</span> connecting node <span class="math notranslate nohighlight">\(i\)</span> to its neighbors <span class="math notranslate nohighlight">\(j\)</span>, and pass the resultant vector through a fully-connected layer to project it down to a scalar. This gives us a scalar energy contribution for each node <span class="math notranslate nohighlight">\(i\)</span> in the structure. We then sum up all node energy contributions to predict the overall system energy.</p>
+<p>Similarly, to predict forces, we pass edge features through a fully-connected layer to project it down to a scalar representing the force magnitude per edge <span class="math notranslate nohighlight">\(e_{ij}\)</span>. We can then sum up these force magnitudes based on the original edge directions to predict the resultant force vector per node <span class="math notranslate nohighlight">\(i\)</span>.</p>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="nd">@registry</span><span class="o">.</span><span class="n">register_model</span><span class="p">(</span><span class="s2">&quot;simple&quot;</span><span class="p">)</span>
+<span class="k">class</span> <span class="nc">SimpleAtomEdgeModel</span><span class="p">(</span><span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Module</span><span class="p">):</span>
+    <span class="k">def</span> <span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">num_atoms</span><span class="p">,</span> <span class="n">bond_feat_dim</span><span class="p">,</span> <span class="n">num_targets</span><span class="p">,</span> <span class="n">emb_size</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">num_radial</span><span class="o">=</span><span class="mi">64</span><span class="p">,</span> <span class="n">cutoff</span><span class="o">=</span><span class="mf">6.0</span><span class="p">,</span> <span class="n">env_exponent</span><span class="o">=</span><span class="mi">5</span><span class="p">):</span>
+        <span class="nb">super</span><span class="p">()</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
+
+        <span class="bp">self</span><span class="o">.</span><span class="n">radial_basis</span> <span class="o">=</span> <span class="n">RadialBasis</span><span class="p">(</span>
+            <span class="n">num_radial</span><span class="o">=</span><span class="n">num_radial</span><span class="p">,</span>
+            <span class="n">cutoff</span><span class="o">=</span><span class="n">cutoff</span><span class="p">,</span>
+            <span class="n">env_exponent</span><span class="o">=</span><span class="n">env_exponent</span><span class="p">,</span>
+        <span class="p">)</span>
+
+        <span class="bp">self</span><span class="o">.</span><span class="n">atom_emb</span> <span class="o">=</span> <span class="n">AtomEmbedding</span><span class="p">(</span><span class="n">emb_size</span><span class="p">)</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">edge_emb</span> <span class="o">=</span> <span class="n">EdgeEmbedding</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="n">num_radial</span><span class="p">,</span> <span class="n">emb_size</span><span class="p">)</span>
+
+        <span class="bp">self</span><span class="o">.</span><span class="n">out_energy</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">out_forces</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">nn</span><span class="o">.</span><span class="n">Linear</span><span class="p">(</span><span class="n">emb_size</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span>
+
+    <span class="k">def</span> <span class="nf">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">data</span><span class="p">):</span>
+        <span class="n">batch</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">batch</span>
+        <span class="n">atomic_numbers</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">atomic_numbers</span><span class="o">.</span><span class="n">long</span><span class="p">()</span>
+        <span class="n">edge_index</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">edge_index</span>
+        <span class="n">cell_offsets</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">cell_offsets</span>
+        <span class="n">neighbors</span> <span class="o">=</span> <span class="n">data</span><span class="o">.</span><span class="n">neighbors</span>
+
+        <span class="c1"># computing edges and distances taking periodic boundary conditions into account</span>
+        <span class="n">out</span> <span class="o">=</span> <span class="n">get_pbc_distances</span><span class="p">(</span>
+            <span class="n">data</span><span class="o">.</span><span class="n">pos</span><span class="p">,</span>
+            <span class="n">edge_index</span><span class="p">,</span>
+            <span class="n">data</span><span class="o">.</span><span class="n">cell</span><span class="p">,</span>
+            <span class="n">cell_offsets</span><span class="p">,</span>
+            <span class="n">neighbors</span><span class="p">,</span>
+            <span class="n">return_offsets</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span>
+            <span class="n">return_distance_vec</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span>
+        <span class="p">)</span>
+
+        <span class="n">edge_index</span> <span class="o">=</span> <span class="n">out</span><span class="p">[</span><span class="s2">&quot;edge_index&quot;</span><span class="p">]</span>
+        <span class="n">D_st</span> <span class="o">=</span> <span class="n">out</span><span class="p">[</span><span class="s2">&quot;distances&quot;</span><span class="p">]</span>
+        <span class="n">V_st</span> <span class="o">=</span> <span class="o">-</span><span class="n">out</span><span class="p">[</span><span class="s2">&quot;distance_vec&quot;</span><span class="p">]</span> <span class="o">/</span> <span class="n">D_st</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">]</span>
+
+        <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span> <span class="o">=</span> <span class="n">edge_index</span>
+
+        <span class="c1"># embed atoms</span>
+        <span class="n">h_atom</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">atom_emb</span><span class="p">(</span><span class="n">atomic_numbers</span><span class="p">)</span>
+
+        <span class="c1"># gaussian expansion of distances D_st</span>
+        <span class="n">m_rbf</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">radial_basis</span><span class="p">(</span><span class="n">D_st</span><span class="p">)</span>
+        <span class="c1"># embed edges</span>
+        <span class="n">m</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">edge_emb</span><span class="p">(</span><span class="n">h_atom</span><span class="p">,</span> <span class="n">m_rbf</span><span class="p">,</span> <span class="n">idx_s</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">)</span>
+
+        <span class="c1"># read out energy</span>
+        <span class="c1">#</span>
+        <span class="c1"># x_E_i = \sum_j m_ji -- summing up edge features m_ji for all neighbors j</span>
+        <span class="c1"># of node i to predict node i&#39;s energy contribution.</span>
+        <span class="n">x_E</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">m</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">h_atom</span><span class="o">.</span><span class="n">shape</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;sum&quot;</span><span class="p">)</span>
+        <span class="n">x_E</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">out_energy</span><span class="p">(</span><span class="n">x_E</span><span class="p">)</span>
+
+        <span class="c1"># E = \sum_i x_E_i</span>
+        <span class="n">num_systems</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">batch</span><span class="p">)</span><span class="o">+</span><span class="mi">1</span>
+        <span class="n">E</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">x_E</span><span class="p">,</span> <span class="n">batch</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">num_systems</span><span class="p">,</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;add&quot;</span><span class="p">)</span>
+        <span class="c1"># (num_systems, 1)</span>
+
+        <span class="c1"># read out forces</span>
+        <span class="c1">#</span>
+        <span class="c1"># x_F is the force magnitude per edge, we multiply that by the direction of each edge ji,</span>
+        <span class="c1"># and sum up all the vectors to predict the resultant force on node i</span>
+        <span class="n">x_F</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">out_forces</span><span class="p">(</span><span class="n">m</span><span class="p">)</span>
+        <span class="n">F_st_vec</span> <span class="o">=</span> <span class="n">x_F</span><span class="p">[:,</span> <span class="p">:,</span> <span class="kc">None</span><span class="p">]</span> <span class="o">*</span> <span class="n">V_st</span><span class="p">[:,</span> <span class="kc">None</span><span class="p">,</span> <span class="p">:]</span>
+        <span class="n">F</span> <span class="o">=</span> <span class="n">scatter</span><span class="p">(</span><span class="n">F_st_vec</span><span class="p">,</span> <span class="n">idx_t</span><span class="p">,</span> <span class="n">dim</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="n">dim_size</span><span class="o">=</span><span class="n">atomic_numbers</span><span class="o">.</span><span class="n">size</span><span class="p">(</span><span class="mi">0</span><span class="p">),</span> <span class="n">reduce</span><span class="o">=</span><span class="s2">&quot;add&quot;</span><span class="p">)</span>
+        <span class="c1"># (num_atoms, num_targets, 3)</span>
+        <span class="n">F</span> <span class="o">=</span> <span class="n">F</span><span class="o">.</span><span class="n">squeeze</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
+
+        <span class="k">return</span> <span class="p">{</span><span class="s2">&quot;energy&quot;</span><span class="p">:</span> <span class="n">E</span><span class="p">,</span> <span class="s2">&quot;forces&quot;</span><span class="p">:</span> <span class="n">F</span><span class="p">}</span>
+
+    <span class="nd">@property</span>
+    <span class="k">def</span> <span class="nf">num_params</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
+        <span class="k">return</span> <span class="nb">sum</span><span class="p">(</span><span class="n">p</span><span class="o">.</span><span class="n">numel</span><span class="p">()</span> <span class="k">for</span> <span class="n">p</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">parameters</span><span class="p">())</span>
 </pre></div>
 </div>
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-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  67%|██████▋   | 2/3 [00:00&lt;00:00,  2.45it/s]
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  3.17it/s]
+</section>
+<section id="training-the-model">
+<h2>Training the model<a class="headerlink" href="#training-the-model" title="Link to this heading">#</a></h2>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">model_params</span> <span class="o">=</span> <span class="p">{</span>
+    <span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;simple&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
+    <span class="s1">&#39;num_radial&#39;</span><span class="p">:</span> <span class="mi">128</span><span class="p">,</span>
+    <span class="s1">&#39;cutoff&#39;</span><span class="p">:</span> <span class="mf">6.0</span><span class="p">,</span>
+    <span class="s1">&#39;env_exponent&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">,</span>
+<span class="p">}</span>
+
+<span class="n">trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
+    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
+    <span class="n">model</span><span class="o">=</span><span class="n">model_params</span><span class="p">,</span>
+    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
+    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
+    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
+    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-simple&quot;</span><span class="p">,</span>
+    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
+    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
+    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
+    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
+    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
+    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
+    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
+<span class="p">)</span>
+
+<span class="n">trainer</span><span class="o">.</span><span class="n">train</span><span class="p">()</span>
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 3/3 [00:01&lt;00:00,  2.11it/s]
-</pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:44 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 1.9363, forcesx_mae: 2.1717, forcesy_mae: 1.7101, forcesz_mae: 1.7947, forces_mae: 1.8922, forces_cosine_similarity: -0.1857, forces_magnitude_error: 3.5687, loss: 134.6277, epoch: 5.0000
-</pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
+<p>If you’ve wired everything up correctly, this model should be relatively small (~185k params) and achieve a force MAE of 0.0815, force cosine of 0.0321, energy MAE of 2.2772 in 2 epochs.</p>
+<p>We encourage the reader to try playing with the embedding size, cutoff radius, number of gaussian basis functions, and polynomial envelope exponent to see how it affects performance.</p>
+</section>
+<section id="incorporating-triplets-and-training-gemnet-t">
+<h2>Incorporating triplets and training GemNet-T<a class="headerlink" href="#incorporating-triplets-and-training-gemnet-t" title="Link to this heading">#</a></h2>
+<p>Recall how this model computes edge embeddings based only on a Gaussian expansion of edge distances.</p>
+<p>To better capture 3D geometry, we should also embed angles formed by triplets or quadruplets of atoms. A model that incorporates this idea and works quite well is GemNet (Klicpera et al., NeurIPS 2021); see the following figure.</p>
+<p><img alt="Screen Shot 2021-11-22 at 3.58.24 PM.png" src="data:image/png;base64,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" /></p>
+<p>You can train a GemNet-T (T = triplets) on S2EF-200k using the following config.</p>
+<p>Note that this is a significantly bulkier model (~3.4M params) than the one we developed above and will take longer to train.</p>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">model_params</span> <span class="o">=</span> <span class="p">{</span>
+    <span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;gemnet_t&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;num_spherical&#39;</span><span class="p">:</span> <span class="mi">7</span><span class="p">,</span>
+    <span class="s1">&#39;num_radial&#39;</span><span class="p">:</span> <span class="mi">128</span><span class="p">,</span>
+    <span class="s1">&#39;num_blocks&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_atom&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_edge&#39;</span><span class="p">:</span> <span class="mi">256</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_trip&#39;</span><span class="p">:</span> <span class="mi">64</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_rbf&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_cbf&#39;</span><span class="p">:</span> <span class="mi">16</span><span class="p">,</span>
+    <span class="s1">&#39;emb_size_bil_trip&#39;</span><span class="p">:</span> <span class="mi">64</span><span class="p">,</span>
+    <span class="s1">&#39;num_before_skip&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+    <span class="s1">&#39;num_after_skip&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+    <span class="s1">&#39;num_concat&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+    <span class="s1">&#39;num_atom&#39;</span><span class="p">:</span> <span class="mi">3</span><span class="p">,</span>
+    <span class="s1">&#39;cutoff&#39;</span><span class="p">:</span> <span class="mf">6.0</span><span class="p">,</span>
+    <span class="s1">&#39;max_neighbors&#39;</span><span class="p">:</span> <span class="mi">50</span><span class="p">,</span>
+    <span class="s1">&#39;rbf&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;gaussian&#39;</span><span class="p">},</span>
+    <span class="s1">&#39;envelope&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;polynomial&#39;</span><span class="p">,</span> <span class="s1">&#39;exponent&#39;</span><span class="p">:</span> <span class="mi">5</span><span class="p">},</span>
+    <span class="s1">&#39;cbf&#39;</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;name&#39;</span><span class="p">:</span> <span class="s1">&#39;spherical_harmonics&#39;</span><span class="p">},</span>
+    <span class="s1">&#39;extensive&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+    <span class="s1">&#39;otf_graph&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+    <span class="s1">&#39;output_init&#39;</span><span class="p">:</span> <span class="s1">&#39;HeOrthogonal&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;activation&#39;</span><span class="p">:</span> <span class="s1">&#39;silu&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;scale_file&#39;</span><span class="p">:</span> <span class="s1">&#39;./gemnet-dT.json&#39;</span><span class="p">,</span>
+    <span class="s1">&#39;regress_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+    <span class="s1">&#39;direct_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="p">}</span>
+
+<span class="n">trainer</span> <span class="o">=</span> <span class="n">OCPTrainer</span><span class="p">(</span>
+    <span class="n">task</span><span class="o">=</span><span class="n">task</span><span class="p">,</span>
+    <span class="n">model</span><span class="o">=</span><span class="n">model_params</span><span class="p">,</span>
+    <span class="n">dataset</span><span class="o">=</span><span class="n">dataset</span><span class="p">,</span>
+    <span class="n">optimizer</span><span class="o">=</span><span class="n">optimizer</span><span class="p">,</span>
+    <span class="n">outputs</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">loss_fns</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">eval_metrics</span><span class="o">=</span><span class="p">{},</span>
+    <span class="n">name</span><span class="o">=</span><span class="s2">&quot;s2ef&quot;</span><span class="p">,</span>
+    <span class="n">identifier</span><span class="o">=</span><span class="s2">&quot;S2EF-gemnet-t&quot;</span><span class="p">,</span>
+    <span class="n">run_dir</span><span class="o">=</span><span class="s2">&quot;./&quot;</span><span class="p">,</span> <span class="c1"># directory to save results if is_debug=False. Prediction files are saved here so be careful not to override!</span>
+    <span class="n">is_debug</span><span class="o">=</span><span class="kc">False</span><span class="p">,</span> <span class="c1"># if True, do not save checkpoint, logs, or results</span>
+    <span class="n">print_every</span><span class="o">=</span><span class="mi">5</span><span class="p">,</span>
+    <span class="n">seed</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span> <span class="c1"># random seed to use</span>
+    <span class="n">logger</span><span class="o">=</span><span class="s2">&quot;tensorboard&quot;</span><span class="p">,</span> <span class="c1"># logger of choice (tensorboard and wandb supported)</span>
+    <span class="n">local_rank</span><span class="o">=</span><span class="mi">0</span><span class="p">,</span>
+    <span class="n">amp</span><span class="o">=</span><span class="kc">True</span><span class="p">,</span> <span class="c1"># use PyTorch Automatic Mixed Precision (faster training and less memory usage),</span>
+<span class="p">)</span>
+
+<span class="n">trainer</span><span class="o">.</span><span class="n">train</span><span class="p">()</span>
 </pre></div>
 </div>
 </div>
@@ -6179,11 +2976,6 @@ <h2>Download pretrained checkpoint<a class="headerlink" href="#id14" title="Link
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:44 (INFO): Checking local cache: /tmp/ocp_checkpoints/ for model GemNet-dT-S2EF-OC20-All
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="using-the-ocp-calculator">
@@ -6223,228 +3015,6 @@ <h2>Using the OCP Calculator<a class="headerlink" href="#using-the-ocp-calculato
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:45 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:45 (INFO): amp: false
-cmd:
-  checkpoint_dir: /home/runner/work/fairchem/fairchem/docs/legacy_tutorials/checkpoints/2024-05-17-19-56-48
-  commit: 00de11a
-  identifier: &#39;&#39;
-  logs_dir: /home/runner/work/fairchem/fairchem/docs/legacy_tutorials/logs/wandb/2024-05-17-19-56-48
-  print_every: 100
-  results_dir: /home/runner/work/fairchem/fairchem/docs/legacy_tutorials/results/2024-05-17-19-56-48
-  seed: null
-  timestamp_id: 2024-05-17-19-56-48
-  version: 0.1.dev1+g00de11a
-dataset:
-  format: trajectory_lmdb
-  grad_target_mean: 0.0
-  grad_target_std: 2.887317180633545
-  key_mapping:
-    force: forces
-    y: energy
-  normalize_labels: true
-  target_mean: -0.7554450631141663
-  target_std: 2.887317180633545
-  transforms:
-    normalizer:
-      energy:
-        mean: -0.7554450631141663
-        stdev: 2.887317180633545
-      forces:
-        mean: 0.0
-        stdev: 2.887317180633545
-eval_metrics:
-  metrics:
-    energy:
-    - mae
-    forces:
-    - forcesx_mae
-    - forcesy_mae
-    - forcesz_mae
-    - mae
-    - cosine_similarity
-    - magnitude_error
-    misc:
-    - energy_forces_within_threshold
-gpus: 0
-logger: wandb
-loss_fns:
-- energy:
-    coefficient: 1
-    fn: mae
-- forces:
-    coefficient: 100
-    fn: l2mae
-model: gemnet_t
-model_attributes:
-  activation: silu
-  cbf:
-    name: spherical_harmonics
-  cutoff: 6.0
-  direct_forces: true
-  emb_size_atom: 512
-  emb_size_bil_trip: 64
-  emb_size_cbf: 16
-  emb_size_edge: 512
-  emb_size_rbf: 16
-  emb_size_trip: 64
-  envelope:
-    exponent: 5
-    name: polynomial
-  extensive: true
-  max_neighbors: 50
-  num_after_skip: 2
-  num_atom: 3
-  num_before_skip: 1
-  num_blocks: 3
-  num_concat: 1
-  num_radial: 128
-  num_spherical: 7
-  otf_graph: true
-  output_init: HeOrthogonal
-  rbf:
-    name: gaussian
-  regress_forces: true
-noddp: false
-optim:
-  batch_size: 32
-  clip_grad_norm: 10
-  ema_decay: 0.999
-  energy_coefficient: 1
-  eval_batch_size: 32
-  eval_every: 5000
-  factor: 0.8
-  force_coefficient: 100
-  loss_energy: mae
-  loss_force: l2mae
-  lr_initial: 0.0005
-  max_epochs: 80
-  mode: min
-  num_workers: 2
-  optimizer: AdamW
-  optimizer_params:
-    amsgrad: true
-  patience: 3
-  scheduler: ReduceLROnPlateau
-outputs:
-  energy:
-    level: system
-  forces:
-    eval_on_free_atoms: true
-    level: atom
-    train_on_free_atoms: true
-slurm: {}
-task:
-  dataset: trajectory_lmdb
-  description: Regressing to energies and forces for DFT trajectories from OCP
-  eval_on_free_atoms: true
-  grad_input: atomic forces
-  labels:
-  - potential energy
-  metric: mae
-  train_on_free_atoms: true
-  type: regression
-trainer: ocp
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:45 (INFO): Loading model: gemnet_t
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:46 (INFO): Loaded GemNetT with 31671825 parameters.
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 19:57:46 (WARNING): No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 19:57:47       -4.099784        1.5675
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:57:47       -4.244461        1.1370
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:57:48       -4.403120        0.7635
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:57:48       -4.503652        0.8364
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:57:49       -4.558208        0.7339
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:57:49       -4.592069        0.4095
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:57:50       -4.619347        0.7312
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:57:51       -4.671473        0.9712
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:57:51       -4.796453        0.9211
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:57:52       -4.957974        0.9761
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:57:52       -5.109447        1.0384
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:57:53       -5.295602        1.2249
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:57:53       -5.498971        1.1271
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:57:54       -5.618084        1.0669
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:57:55       -5.737121        0.9509
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:57:55       -5.901947        0.9260
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:57:56       -6.076138        1.2737
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:57:56       -6.198372        1.2029
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 19:57:57       -6.250344        0.6852
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 19:57:57       -6.254098        0.2008
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 19:57:58       -6.293970        0.1779
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   21 19:57:58       -6.326332        0.2294
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   22 19:57:59       -6.324463        0.1700
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   23 19:57:59       -6.321269        0.1016
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   24 19:58:00       -6.328320        0.0847
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   25 19:58:00       -6.331771        0.0586
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   26 19:58:01       -6.331944        0.0445
-</pre></div>
-</div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>True
-</pre></div>
-</div>
-</div>
 </div>
 <p><a name="lmdb"></a></p>
 </section>
@@ -6592,12 +3162,6 @@ <h2>Initial Structure to Relaxed Energy (IS2RE) LMDBs<a class="headerlink" href=
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Size of the dataset created: 1
-Data(pos=[38, 3], cell=[1, 3, 3], atomic_numbers=[38], natoms=38, tags=[38], edge_index=[2, 1733], cell_offsets=[1733, 3], energy=15.804699620277187, forces=[38, 3], fixed=[38], pos_relaxed=[38, 3], sid=0)
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 <section id="structure-to-energy-and-forces-s2ef-lmdbs">
@@ -6663,20 +3227,6 @@ <h2>Structure to Energy and Forces (S2EF) LMDBs<a class="headerlink" href="#stru
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/101 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span> 52%|█████▏    | 53/101 [00:00&lt;00:00, 526.55it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 101/101 [00:00&lt;00:00, 544.25it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 </section>
@@ -6779,7 +3329,7 @@ <h1>References<a class="headerlink" href="#references" title="Link to this headi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -6970,8 +3520,8 @@ <h1>References<a class="headerlink" href="#references" title="Link to this headi
   </div>
   
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+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/legacy_tutorials/data_preprocessing.html b/legacy_tutorials/data_preprocessing.html
index 1b6e7ae51..e53d80e12 100644
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+++ b/legacy_tutorials/data_preprocessing.html
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
+</details></li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
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+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -662,6 +668,10 @@ <h1>Generate toy dataset: Relaxation of CO on Cu<a class="headerlink" href="#gen
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2575/901556023.py:8: DeprecationWarning: Please use atoms.calc = calc
+  adslab.set_calculator(EMT())
+</pre></div>
+</div>
 <div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>False
 </pre></div>
 </div>
@@ -723,7 +733,7 @@ <h1>Convert Atoms object to Data object<a class="headerlink" href="#convert-atom
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106684715, forces=[14, 3], fixed=[14])
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 636], cell_offsets=[636, 3], energy=3.9893144106683787, forces=[14, 3], fixed=[14])
 </pre></div>
 </div>
 </div>
@@ -802,20 +812,20 @@ <h1>Convert Atoms object to Data object<a class="headerlink" href="#convert-atom
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>tensor([[ 2.3250e-15,  1.8807e-15,  1.1354e-01],
-        [ 9.0249e-16,  1.1050e-15,  1.1344e-01],
-        [ 5.2822e-15,  2.9421e-15,  1.1344e-01],
-        [-3.4399e-17,  6.2746e-17,  1.1294e-01],
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>tensor([[ 1.7794e-15,  2.2235e-15,  1.1354e-01],
+        [-8.0838e-16,  1.1120e-15,  1.1344e-01],
+        [ 2.1459e-15,  1.2733e-15,  1.1344e-01],
+        [-5.7891e-16,  8.3663e-16,  1.1294e-01],
         [-8.5221e-03, -8.5221e-03, -1.1496e-02],
         [ 8.5221e-03, -8.5221e-03, -1.1496e-02],
         [-8.5221e-03,  8.5221e-03, -1.1496e-02],
         [ 8.5221e-03,  8.5221e-03, -1.1496e-02],
-        [ 8.5001e-16, -8.4308e-16, -1.0431e-01],
-        [-2.0583e-15, -4.5797e-16, -6.6610e-02],
-        [-5.5511e-17, -5.8287e-16, -6.6610e-02],
-        [-1.7780e-15, -2.5274e-15, -3.3250e-01],
-        [-4.2690e-19, -8.6059e-19, -3.4247e-01],
-        [-4.3368e-17, -2.4286e-17,  5.0512e-01]])
+        [-1.6723e-15, -1.1735e-15, -1.0431e-01],
+        [ 3.9409e-16, -1.5543e-15, -6.6610e-02],
+        [-3.4001e-15, -8.4849e-17, -6.6610e-02],
+        [ 1.8858e-15,  9.3691e-16, -3.3250e-01],
+        [-4.4046e-20, -4.4046e-20, -3.4247e-01],
+        [ 8.7549e-18, -5.1229e-18,  5.0512e-01]])
 </pre></div>
 </div>
 </div>
@@ -852,7 +862,7 @@ <h1>Convert Atoms object to Data object<a class="headerlink" href="#convert-atom
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>3.9893144106684715
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>3.9893144106683787
 </pre></div>
 </div>
 </div>
@@ -888,7 +898,7 @@ <h1>Adding additional info to your Data objects<a class="headerlink" href="#addi
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 634], cell_offsets=[634, 3], energy=3.968355893395695, forces=[14, 3], fixed=[14], fid=100, sid=0)
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Data(pos=[14, 3], cell=[1, 3, 3], atomic_numbers=[14], natoms=14, tags=[14], edge_index=[2, 635], cell_offsets=[635, 3], energy=3.9683558933958047, forces=[14, 3], fixed=[14], fid=100, sid=0)
 </pre></div>
 </div>
 </div>
@@ -951,7 +961,7 @@ <h1>Adding additional info to your Data objects<a class="headerlink" href="#addi
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1041,8 +1051,8 @@ <h1>Adding additional info to your Data objects<a class="headerlink" href="#addi
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index f61823f12..ba91404d6 100644
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+++ b/legacy_tutorials/data_visualization.html
@@ -14,46 +14,46 @@
   
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-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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+  <script src="../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
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+    
+  
 
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@@ -156,7 +159,7 @@
 
  <script>
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-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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     <span class="search-button__default-text">Search</span>
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@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
+</details></li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
 <li class="toctree-l2"><a class="reference internal" href="OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2 current active"><a class="current reference internal" href="#">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,14 +591,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -749,312 +755,315 @@ <h2>Generating sample data<a class="headerlink" href="#generating-sample-data" t
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>       Step     Time          Energy         fmax
-*Force-consistent energies used in optimization.
-LBFGS:    0 19:58:20       15.804700*       6.7764
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>       Step     Time          Energy          fmax
+LBFGS:    0 19:07:24       15.804700        6.776430
+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    1 19:07:24       12.190607        4.323222
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    1 19:58:20       12.190607*       4.3232
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    2 19:07:24       10.240169        2.265527
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    2 19:58:20       10.240169*       2.2655
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    3 19:07:24        9.779223        0.937247
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    3 19:58:20        9.779223*       0.9372
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    4 19:07:24        9.671525        0.770173
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    4 19:58:20        9.671525*       0.7702
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    5 19:07:24        9.574461        0.663540
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    5 19:58:20        9.574461*       0.6635
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    6 19:07:24        9.537502        0.571800
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    6 19:58:20        9.537502*       0.5718
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    7 19:07:24        9.516673        0.446620
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    7 19:58:20        9.516673*       0.4466
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    8 19:07:24        9.481330        0.461143
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    8 19:58:20        9.481330*       0.4611
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    9 19:07:24        9.462255        0.293081
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:    9 19:58:20        9.462255*       0.2931
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   10 19:07:24        9.448937        0.249010
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   10 19:58:20        9.448937*       0.2490
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   11 19:07:24        9.433813        0.237051
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   11 19:58:20        9.433813*       0.2371
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   12 19:07:24        9.418884        0.260245
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   12 19:58:20        9.418884*       0.2602
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   13 19:07:24        9.409649        0.253162
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   13 19:58:20        9.409649*       0.2532
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   14 19:07:24        9.404838        0.162398
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   14 19:58:20        9.404838*       0.1624
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   15 19:07:24        9.401753        0.182298
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   15 19:58:20        9.401753*       0.1823
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   16 19:07:24        9.397314        0.259163
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   16 19:58:20        9.397314*       0.2592
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   17 19:07:24        9.387947        0.345022
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   17 19:58:20        9.387947*       0.3450
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2600/2996947630.py:19: DeprecationWarning: Please use atoms.calc = calc
+  adslab.set_calculator(EMT())
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   18 19:58:20        9.370825*       0.4070
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   18 19:07:24        9.370825        0.407041
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   19 19:58:20        9.342222*       0.4333
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   19 19:07:24        9.342222        0.433340
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   20 19:58:20        9.286822*       0.5002
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   20 19:07:24        9.286822        0.500200
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   21 19:58:20        9.249910*       0.5241
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   21 19:07:24        9.249910        0.524052
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   22 19:58:20        9.187179*       0.5120
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   22 19:07:24        9.187179        0.511994
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   23 19:58:20        9.124811*       0.5718
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   23 19:07:24        9.124811        0.571796
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   24 19:58:20        9.066185*       0.5409
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   24 19:07:24        9.066185        0.540934
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   25 19:58:21        9.000116*       1.0798
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   25 19:07:24        9.000116        1.079833
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   26 19:58:21        8.893632*       0.7528
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   26 19:07:24        8.893632        0.752759
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   27 19:58:21        8.845939*       0.3321
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   27 19:07:24        8.845939        0.332051
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   28 19:58:21        8.815173*       0.2512
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   28 19:07:24        8.815173        0.251242
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   29 19:58:21        8.808721*       0.2143
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   29 19:07:24        8.808721        0.214337
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   30 19:58:21        8.794643*       0.1546
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   30 19:07:24        8.794643        0.154611
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   31 19:58:21        8.789162*       0.2014
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   31 19:07:24        8.789162        0.201404
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   32 19:58:21        8.782320*       0.1755
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   32 19:07:24        8.782320        0.175517
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   33 19:58:21        8.780394*       0.1037
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   33 19:07:24        8.780394        0.103718
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   34 19:58:21        8.778410*       0.1076
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   34 19:07:24        8.778410        0.107611
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   35 19:58:21        8.775079*       0.1797
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   35 19:07:24        8.775079        0.179747
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   36 19:58:21        8.766987*       0.3334
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   36 19:07:24        8.766987        0.333401
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   37 19:58:21        8.750249*       0.5307
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   37 19:07:24        8.750249        0.530715
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   38 19:58:21        8.725928*       0.6851
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   38 19:07:24        8.725928        0.685116
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   39 19:58:21        8.702312*       0.5823
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   39 19:07:24        8.702312        0.582260
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   40 19:58:21        8.661515*       0.3996
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   40 19:07:24        8.661515        0.399625
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   41 19:58:21        8.643432*       0.5585
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   41 19:07:24        8.643432        0.558474
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   42 19:58:21        8.621201*       0.3673
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   42 19:07:24        8.621201        0.367288
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   43 19:58:21        8.614414*       0.1394
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   43 19:07:24        8.614414        0.139424
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   44 19:58:21        8.610785*       0.1372
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   44 19:07:24        8.610785        0.137160
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   45 19:58:21        8.608134*       0.1464
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   45 19:07:24        8.608134        0.146375
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   46 19:58:21        8.604928*       0.1196
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   46 19:07:24        8.604928        0.119648
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   47 19:58:21        8.599151*       0.1354
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   47 19:07:24        8.599151        0.135424
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   48 19:58:21        8.594063*       0.1479
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   48 19:07:24        8.594063        0.147913
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   49 19:58:21        8.589493*       0.1538
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   49 19:07:24        8.589493        0.153840
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   50 19:58:21        8.587274*       0.0885
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   50 19:07:24        8.587274        0.088460
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   51 19:58:21        8.584633*       0.0938
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   51 19:07:24        8.584633        0.093750
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   52 19:58:21        8.580239*       0.1409
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   52 19:07:24        8.580239        0.140870
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   53 19:58:21        8.572938*       0.2543
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   53 19:07:24        8.572938        0.254272
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   54 19:58:21        8.563343*       0.2919
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   54 19:07:24        8.563343        0.291885
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   55 19:58:21        8.554117*       0.1966
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   55 19:07:24        8.554117        0.196557
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   56 19:58:22        8.547597*       0.1291
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   56 19:07:24        8.547597        0.129064
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   57 19:58:22        8.542086*       0.1280
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   57 19:07:24        8.542086        0.128020
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   58 19:58:22        8.535432*       0.0982
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   58 19:07:24        8.535432        0.098202
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   59 19:58:22        8.533622*       0.1277
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   59 19:07:24        8.533622        0.127672
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   60 19:58:22        8.527487*       0.1167
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   60 19:07:24        8.527487        0.116729
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   61 19:58:22        8.523863*       0.1218
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   61 19:07:24        8.523863        0.121762
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   62 19:58:22        8.519229*       0.1305
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   62 19:07:24        8.519229        0.130541
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   63 19:58:22        8.515424*       0.1019
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   63 19:07:24        8.515424        0.101902
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   64 19:58:22        8.511240*       0.2122
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   64 19:07:24        8.511240        0.212223
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   65 19:58:22        8.507967*       0.2666
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   65 19:07:24        8.507967        0.266593
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   66 19:58:22        8.503903*       0.2377
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   66 19:07:24        8.503903        0.237734
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   67 19:58:22        8.497575*       0.1623
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   67 19:07:24        8.497575        0.162253
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   68 19:58:22        8.485434*       0.2022
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   68 19:07:24        8.485434        0.202203
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   69 19:58:22        8.466738*       0.2159
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   69 19:07:24        8.466738        0.215895
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   70 19:58:22        8.467607*       0.3348
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   70 19:07:24        8.467607        0.334764
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   71 19:58:22        8.454037*       0.1063
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   71 19:07:24        8.454037        0.106310
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   72 19:58:22        8.448980*       0.1197
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   72 19:07:24        8.448980        0.119721
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   73 19:58:22        8.446550*       0.0992
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   73 19:07:24        8.446550        0.099221
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   74 19:58:22        8.444705*       0.0562
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   74 19:07:24        8.444705        0.056244
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   75 19:58:22        8.443403*       0.0388
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   75 19:07:24        8.443403        0.038831
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   76 19:58:22        8.442646*       0.0548
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   76 19:07:24        8.442646        0.054772
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   77 19:58:22        8.442114*       0.0614
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   77 19:07:24        8.442114        0.061370
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   78 19:58:22        8.440960*       0.0588
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   78 19:07:24        8.440960        0.058800
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   79 19:58:22        8.439820*       0.0482
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   79 19:07:24        8.439820        0.048198
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   80 19:58:22        8.438600*       0.0513
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   80 19:07:25        8.438600        0.051251
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   81 19:58:22        8.437429*       0.0541
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   81 19:07:25        8.437429        0.054130
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   82 19:58:22        8.435695*       0.0672
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   82 19:07:25        8.435695        0.067234
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   83 19:58:22        8.431957*       0.0857
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   83 19:07:25        8.431957        0.085678
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   84 19:58:23        8.423485*       0.1332
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   84 19:07:25        8.423485        0.133240
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   85 19:58:23        8.413846*       0.2078
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   85 19:07:25        8.413846        0.207812
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   86 19:58:23        8.404849*       0.1787
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   86 19:07:25        8.404849        0.178747
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   87 19:58:23        8.385339*       0.1690
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   87 19:07:25        8.385339        0.169017
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   88 19:58:23        8.386849*       0.1876
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   88 19:07:25        8.386849        0.187645
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   89 19:58:23        8.371078*       0.1181
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   89 19:07:25        8.371078        0.118124
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   90 19:58:23        8.368801*       0.0942
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   90 19:07:25        8.368801        0.094222
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   91 19:58:23        8.366226*       0.0670
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   91 19:07:25        8.366226        0.066960
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   92 19:58:23        8.361680*       0.0550
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   92 19:07:25        8.361680        0.054964
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   93 19:58:23        8.360631*       0.0473
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   93 19:07:25        8.360631        0.047342
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   94 19:58:23        8.359692*       0.0242
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   94 19:07:25        8.359692        0.024179
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   95 19:58:23        8.359361*       0.0155
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   95 19:07:25        8.359361        0.015549
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   96 19:58:23        8.359163*       0.0143
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   96 19:07:25        8.359163        0.014284
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   97 19:58:23        8.359102*       0.0156
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   97 19:07:25        8.359102        0.015615
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   98 19:58:23        8.359048*       0.0155
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   98 19:07:25        8.359048        0.015492
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   99 19:58:23        8.358986*       0.0142
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:   99 19:07:25        8.358986        0.014214
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:  100 19:58:23        8.358921*       0.0132
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>LBFGS:  100 19:07:25        8.358921        0.013159
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/io/extxyz.py:302: UserWarning: Skipping unhashable information adsorbate_info
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/io/extxyz.py:311: UserWarning: Skipping unhashable information adsorbate_info
   warnings.warn(&#39;Skipping unhashable information &#39;
 </pre></div>
 </div>
@@ -1116,9 +1125,7 @@ <h2>Saving a trajectory video<a class="headerlink" href="#saving-a-trajectory-vi
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/visualize/plot.py:59: UserWarning: You passed in an explicit save_count=100 which is being ignored in favor of len(frames)=101.
-  animation = FuncAnimation(fig, drawimage, frames=images,
-MovieWriter ffmpeg unavailable; using Pillow instead.
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>MovieWriter ffmpeg unavailable; using Pillow instead.
 </pre></div>
 </div>
 <img alt="../_images/4bace82b10c623914f65162c41715b5dfcc194c1569698d06031d1f715ccc1e4.png" src="../_images/4bace82b10c623914f65162c41715b5dfcc194c1569698d06031d1f715ccc1e4.png" />
@@ -1136,7 +1143,7 @@ <h2>Data contents<a class="headerlink" href="#data-contents" title="Link to this
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Atoms(symbols=&#39;Cu27C3H8&#39;, pbc=True, cell=[7.65796644025031, 7.65796644025031, 33.266996999999996], energies=..., forces=..., tags=..., constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]), calculator=SinglePointCalculator(...))
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Atoms(symbols=&#39;Cu27C3H8&#39;, pbc=True, cell=[7.65796644025031, 7.65796644025031, 33.266996999999996], tags=..., constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]), calculator=SinglePointCalculator(...))
 </pre></div>
 </div>
 </div>
@@ -1295,11 +1302,15 @@ <h3>Energy<a class="headerlink" href="#energy" title="Link to this heading">#</a
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Relaxed absolute energy = 8.35892145140813 eV
-Raw slab energy = 8.127167122751231 eV
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Relaxed absolute energy = 8.358921451399912 eV
+Raw slab energy = 8.12716712274959 eV
 Adsorbte reference energy = 3.4499999999999993 eV
 
-Adsorption energy: -3.2182456713431016 eV
+Adsorption energy: -3.2182456713496777 eV
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2600/1528962.py:7: DeprecationWarning: Please use atoms.calc = calc
+  raw_slab.set_calculator(EMT())
 </pre></div>
 </div>
 </div>
@@ -1336,44 +1347,35 @@ <h3>Forces<a class="headerlink" href="#forces" title="Link to this heading">#</a
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([[-1.07900000e-05, -3.80000000e-06,  1.13560540e-01],
-       [-0.00000000e+00, -4.29200000e-05,  1.13302410e-01],
-       [ 1.07900000e-05, -3.80000000e-06,  1.13560540e-01],
-       [-1.84600000e-05,  0.00000000e+00,  1.13543430e-01],
-       [-0.00000000e+00,  0.00000000e+00,  1.13047800e-01],
-       [ 1.84600000e-05,  0.00000000e+00,  1.13543430e-01],
-       [-1.07900000e-05,  3.80000000e-06,  1.13560540e-01],
-       [-0.00000000e+00,  4.29200000e-05,  1.13302410e-01],
-       [ 1.07900000e-05,  3.80000000e-06,  1.13560540e-01],
-       [-1.10430500e-02, -2.53094000e-03, -4.84573700e-02],
-       [ 1.10430500e-02, -2.53094000e-03, -4.84573700e-02],
-       [-0.00000000e+00, -2.20890000e-04, -2.07827000e-03],
-       [-1.10430500e-02,  2.53094000e-03, -4.84573700e-02],
-       [ 1.10430500e-02,  2.53094000e-03, -4.84573700e-02],
-       [-0.00000000e+00,  2.20890000e-04, -2.07827000e-03],
-       [-3.49808000e-03, -0.00000000e+00, -7.85544000e-03],
-       [ 3.49808000e-03, -0.00000000e+00, -7.85544000e-03],
-       [-0.00000000e+00, -0.00000000e+00, -5.97640000e-04],
-       [-3.18144370e-01, -2.36420450e-01, -3.97089230e-01],
-       [ 0.00000000e+00, -2.18895316e+00, -2.74768262e+00],
-       [ 3.18144370e-01, -2.36420450e-01, -3.97089230e-01],
-       [-5.65980520e-01,  0.00000000e+00, -6.16046990e-01],
-       [ 0.00000000e+00,  0.00000000e+00, -4.47152822e+00],
-       [ 5.65980520e-01, -0.00000000e+00, -6.16046990e-01],
-       [-3.18144370e-01,  2.36420450e-01, -3.97089230e-01],
-       [ 0.00000000e+00,  2.18895316e+00, -2.74768262e+00],
-       [ 3.18144370e-01,  2.36420450e-01, -3.97089230e-01],
-       [-0.00000000e+00, -0.00000000e+00, -3.96835355e+00],
-       [-0.00000000e+00, -3.64190926e+00,  5.71458646e+00],
-       [ 0.00000000e+00,  3.64190926e+00,  5.71458646e+00],
-       [-2.18178516e+00, -0.00000000e+00,  1.67589182e+00],
-       [ 2.18178516e+00,  0.00000000e+00,  1.67589182e+00],
-       [ 0.00000000e+00,  2.46333681e+00,  1.78299828e+00],
-       [ 0.00000000e+00, -2.46333681e+00,  1.78299828e+00],
-       [ 6.18714050e+00,  2.26336330e-01, -5.99485570e-01],
-       [-6.18714050e+00,  2.26336330e-01, -5.99485570e-01],
-       [-6.18714050e+00, -2.26336330e-01, -5.99485570e-01],
-       [ 6.18714050e+00, -2.26336330e-01, -5.99485570e-01]])
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">PropertyNotImplementedError</span><span class="g g-Whitespace">               </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">16</span><span class="p">],</span> <span class="n">line</span> <span class="mi">2</span>
+<span class="g g-Whitespace">      </span><span class="mi">1</span> <span class="c1"># Returning forces for all atoms - regardless of whether &quot;fixed&quot; or &quot;free&quot;</span>
+<span class="ne">----&gt; </span><span class="mi">2</span> <span class="n">i_structure</span><span class="o">.</span><span class="n">get_forces</span><span class="p">(</span><span class="n">apply_constraint</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:812,</span> in <span class="ni">Atoms.get_forces</span><span class="nt">(self, apply_constraint, md)</span>
+<span class="g g-Whitespace">    </span><span class="mi">810</span> <span class="k">if</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span> <span class="ow">is</span> <span class="kc">None</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">811</span>     <span class="k">raise</span> <span class="ne">RuntimeError</span><span class="p">(</span><span class="s1">&#39;Atoms object has no calculator.&#39;</span><span class="p">)</span>
+<span class="ne">--&gt; </span><span class="mi">812</span> <span class="n">forces</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">_calc</span><span class="o">.</span><span class="n">get_forces</span><span class="p">(</span><span class="bp">self</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">814</span> <span class="k">if</span> <span class="n">apply_constraint</span><span class="p">:</span>
+<span class="g g-Whitespace">    </span><span class="mi">815</span>     <span class="c1"># We need a special md flag here because for MD we want</span>
+<span class="g g-Whitespace">    </span><span class="mi">816</span>     <span class="c1"># to skip real constraints but include special &quot;constraints&quot;</span>
+<span class="g g-Whitespace">    </span><span class="mi">817</span>     <span class="c1"># Like Hookean.</span>
+<span class="g g-Whitespace">    </span><span class="mi">818</span>     <span class="k">for</span> <span class="n">constraint</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">constraints</span><span class="p">:</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:30,</span> in <span class="ni">GetPropertiesMixin.get_forces</span><span class="nt">(self, atoms)</span>
+<span class="g g-Whitespace">     </span><span class="mi">29</span> <span class="k">def</span> <span class="nf">get_forces</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">atoms</span><span class="o">=</span><span class="kc">None</span><span class="p">):</span>
+<span class="ne">---&gt; </span><span class="mi">30</span>     <span class="k">return</span> <span class="bp">self</span><span class="o">.</span><span class="n">get_property</span><span class="p">(</span><span class="s1">&#39;forces&#39;</span><span class="p">,</span> <span class="n">atoms</span><span class="p">)</span>
+
+<span class="nn">File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/singlepoint.py:49,</span> in <span class="ni">SinglePointCalculator.get_property</span><span class="nt">(self, name, atoms, allow_calculation)</span>
+<span class="g g-Whitespace">     </span><span class="mi">47</span> <span class="k">if</span> <span class="n">name</span> <span class="ow">not</span> <span class="ow">in</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span> <span class="ow">or</span> <span class="bp">self</span><span class="o">.</span><span class="n">check_state</span><span class="p">(</span><span class="n">atoms</span><span class="p">):</span>
+<span class="g g-Whitespace">     </span><span class="mi">48</span>     <span class="k">if</span> <span class="n">allow_calculation</span><span class="p">:</span>
+<span class="ne">---&gt; </span><span class="mi">49</span>         <span class="k">raise</span> <span class="n">PropertyNotImplementedError</span><span class="p">(</span>
+<span class="g g-Whitespace">     </span><span class="mi">50</span>             <span class="sa">f</span><span class="s1">&#39;The property &quot;</span><span class="si">{</span><span class="n">name</span><span class="si">}</span><span class="s1">&quot; is not available.&#39;</span><span class="p">)</span>
+<span class="g g-Whitespace">     </span><span class="mi">51</span>     <span class="k">return</span> <span class="kc">None</span>
+<span class="g g-Whitespace">     </span><span class="mi">53</span> <span class="n">result</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">results</span><span class="p">[</span><span class="n">name</span><span class="p">]</span>
+
+<span class="ne">PropertyNotImplementedError</span>: The property &quot;forces&quot; is not available.
 </pre></div>
 </div>
 </div>
@@ -1385,48 +1387,6 @@ <h3>Forces<a class="headerlink" href="#forces" title="Link to this heading">#</a
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>array([[ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [ 0.        ,  0.        ,  0.        ],
-       [-0.31814437, -0.23642045, -0.39708923],
-       [ 0.        , -2.18895316, -2.74768262],
-       [ 0.31814437, -0.23642045, -0.39708923],
-       [-0.56598052,  0.        , -0.61604699],
-       [ 0.        ,  0.        , -4.47152822],
-       [ 0.56598052, -0.        , -0.61604699],
-       [-0.31814437,  0.23642045, -0.39708923],
-       [ 0.        ,  2.18895316, -2.74768262],
-       [ 0.31814437,  0.23642045, -0.39708923],
-       [-0.        , -0.        , -3.96835355],
-       [-0.        , -3.64190926,  5.71458646],
-       [ 0.        ,  3.64190926,  5.71458646],
-       [-2.18178516, -0.        ,  1.67589182],
-       [ 2.18178516,  0.        ,  1.67589182],
-       [ 0.        ,  2.46333681,  1.78299828],
-       [ 0.        , -2.46333681,  1.78299828],
-       [ 6.1871405 ,  0.22633633, -0.59948557],
-       [-6.1871405 ,  0.22633633, -0.59948557],
-       [-6.1871405 , -0.22633633, -0.59948557],
-       [ 6.1871405 , -0.22633633, -0.59948557]])
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 </section>
@@ -1469,7 +1429,7 @@ <h2>Resources<a class="headerlink" href="#resources" title="Link to this heading
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1575,8 +1535,8 @@ <h2>Resources<a class="headerlink" href="#resources" title="Link to this heading
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/legacy_tutorials/legacy_tutorials.html b/legacy_tutorials/legacy_tutorials.html
index ead4008cc..db562ceed 100644
--- a/legacy_tutorials/legacy_tutorials.html
+++ b/legacy_tutorials/legacy_tutorials.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -74,27 +74,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -116,8 +112,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 current active has-children"><a class="current reference internal" href="#">Legacy [deprecated] Tutorials</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 current active has-children"><a class="current reference internal" href="#">Legacy [deprecated] Tutorials</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -574,10 +580,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -585,7 +591,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -686,7 +692,7 @@ <h1>Legacy [deprecated] Tutorials<a class="headerlink" href="#legacy-deprecated-
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -714,8 +720,6 @@ <h1>Legacy [deprecated] Tutorials<a class="headerlink" href="#legacy-deprecated-
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -759,8 +763,8 @@ <h1>Legacy [deprecated] Tutorials<a class="headerlink" href="#legacy-deprecated-
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/objects.inv b/objects.inv
index 0b1c12451..050633345 100644
Binary files a/objects.inv and b/objects.inv differ
diff --git a/py-modindex.html b/py-modindex.html
index 5ec47377c..77044156c 100644
--- a/py-modindex.html
+++ b/py-modindex.html
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-<link href="_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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+<link href="_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <link rel="stylesheet" type="text/css" href="_static/sphinx-design.min.css?v=87e54e7c" />
   
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-  <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
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     <script src="_static/copybutton.js?v=f281be69"></script>
-    <script src="_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="_static/design-tabs.js?v=36754332"></script>
+    <script src="_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -141,6 +142,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="index.html">
   
@@ -156,7 +159,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -244,7 +247,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -253,8 +256,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -264,8 +267,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -287,133 +290,136 @@
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/utils/index.html">core.models.utils</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
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-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-13" name="toctree-checkbox-13" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-13"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html">core._cli</a></li>
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-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -433,7 +439,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -442,14 +448,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -526,10 +532,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -537,7 +543,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -1481,6 +1487,11 @@ <h1>Python Module Index</h1>
        <td>&#160;&#160;&#160;
        <a href="autoapi/data/odac/promising_mof/promising_mof_energies/energy/index.html#module-data.odac.promising_mof.promising_mof_energies.energy"><code class="xref">data.odac.promising_mof.promising_mof_energies.energy</code></a></td><td>
        <em></em></td></tr>
+     <tr class="cg-4">
+       <td></td>
+       <td>&#160;&#160;&#160;
+       <a href="autoapi/data/odac/setup_vasp/index.html#module-data.odac.setup_vasp"><code class="xref">data.odac.setup_vasp</code></a></td><td>
+       <em></em></td></tr>
      <tr class="cg-4">
        <td></td>
        <td>&#160;&#160;&#160;
@@ -1585,7 +1596,7 @@ <h1>Python Module Index</h1>
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
 </div>
@@ -1595,8 +1606,6 @@ <h1>Python Module Index</h1>
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -1640,8 +1649,8 @@ <h1>Python Module Index</h1>
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/reports/core/fine-tuning/fine-tuning-oxides.err.log b/reports/core/fine-tuning/fine-tuning-oxides.err.log
new file mode 100644
index 000000000..c4e5177bc
--- /dev/null
+++ b/reports/core/fine-tuning/fine-tuning-oxides.err.log
@@ -0,0 +1,97 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1314, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
+    return loop.run_until_complete(inner)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/asyncio/base_events.py", line 654, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 709, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1062, in async_execute_cell
+    await self._check_raise_for_error(cell, cell_index, exec_reply)
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
+    raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
+nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
+------------------
+from fairchem.core.common.tutorial_utils import generate_yml_config 
+
+yml = generate_yml_config(checkpoint_path, 'config.yml',
+                   delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes',
+                           'optim.loss_force', # the checkpoint setting causes an error
+                           'dataset', 'test_dataset', 'val_dataset'],
+                   update={'gpus': 1,
+                           'task.dataset': 'ase_db',
+                           'optim.eval_every': 10,
+                           'optim.max_epochs': 1,
+                           'optim.batch_size': 4,
+                            'logger':'tensorboard', # don't use wandb!
+                           # Train data
+                           'dataset.train.src': 'train.db',
+                           'dataset.train.a2g_args.r_energy': True,
+                           'dataset.train.a2g_args.r_forces': True,
+                            # Test data - prediction only so no regression
+                           'dataset.test.src': 'test.db',
+                           'dataset.test.a2g_args.r_energy': False,
+                           'dataset.test.a2g_args.r_forces': False,
+                           # val data
+                           'dataset.val.src': 'val.db',
+                           'dataset.val.a2g_args.r_energy': True,
+                           'dataset.val.a2g_args.r_forces': True,
+                          })
+
+yml
+------------------
+
+----- stderr -----
+WARNING:root:Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
+----- stderr -----
+WARNING:root:Unrecognized arguments: ['symmetric_edge_symmetrization']
+----- stderr -----
+WARNING:root:Using `weight_decay` from `optim` instead of `optim.optimizer_params`.Please update your config to use `optim.optimizer_params.weight_decay`.`optim.weight_decay` will soon be deprecated.
+----- stderr -----
+WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
+------------------
+
+---------------------------------------------------------------------------
+KeyError                                  Traceback (most recent call last)
+Cell In[13], line 3
+      1 from fairchem.core.common.tutorial_utils import generate_yml_config 
+----> 3 yml = generate_yml_config(checkpoint_path, 'config.yml',
+      4                    delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes',
+      5                            'optim.loss_force', # the checkpoint setting causes an error
+      6                            'dataset', 'test_dataset', 'val_dataset'],
+      7                    update={'gpus': 1,
+      8                            'task.dataset': 'ase_db',
+      9                            'optim.eval_every': 10,
+     10                            'optim.max_epochs': 1,
+     11                            'optim.batch_size': 4,
+     12                             'logger':'tensorboard', # don't use wandb!
+     13                            # Train data
+     14                            'dataset.train.src': 'train.db',
+     15                            'dataset.train.a2g_args.r_energy': True,
+     16                            'dataset.train.a2g_args.r_forces': True,
+     17                             # Test data - prediction only so no regression
+     18                            'dataset.test.src': 'test.db',
+     19                            'dataset.test.a2g_args.r_energy': False,
+     20                            'dataset.test.a2g_args.r_forces': False,
+     21                            # val data
+     22                            'dataset.val.src': 'val.db',
+     23                            'dataset.val.a2g_args.r_energy': True,
+     24                            'dataset.val.a2g_args.r_forces': True,
+     25                           })
+     27 yml
+
+File ~/work/fairchem/fairchem/src/fairchem/core/common/tutorial_utils.py:178, in generate_yml_config(checkpoint_path, yml, delete, update)
+    175     nested_set(config, keys, update[_key])
+    177 # TODO : Do not rename keys in utils.py when reading a config
+--> 178 config["evaluation_metrics"]=config["eval_metrics"]
+    179 config.pop("eval_metrics")
+    181 out = dump(config)
+
+KeyError: 'eval_metrics'
+
diff --git a/reports/core/inference.err.log b/reports/core/inference.err.log
new file mode 100644
index 000000000..f7c883b51
--- /dev/null
+++ b/reports/core/inference.err.log
@@ -0,0 +1,93 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1314, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
+    return loop.run_until_complete(inner)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/asyncio/base_events.py", line 654, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 709, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1062, in async_execute_cell
+    await self._check_raise_for_error(cell, cell_index, exec_reply)
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
+    raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
+nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
+------------------
+! mv data.db full_data.db
+
+import ase.db
+import numpy as np
+
+with ase.db.connect('full_data.db') as full_db:
+  with ase.db.connect('data.db',append=False) as subset_db:
+
+    # Select 50 random points for the subset, ASE DB ids start at 1
+    for i in np.random.choice(list(range(1,len(full_db)+1)),size=50,replace=False):
+      atoms = full_db.get_atoms(f'id={i}', add_additional_information=True)
+
+      if 'tag' in atoms.info['key_value_pairs']:
+        atoms.info['key_value_pairs']['tag'] = int(atoms.info['key_value_pairs']['tag'])
+
+      subset_db.write(atoms, **atoms.info['key_value_pairs'])
+------------------
+
+
+---------------------------------------------------------------------------
+ValueError                                Traceback (most recent call last)
+Cell In[2], line 16
+     13 if 'tag' in atoms.info['key_value_pairs']:
+     14   atoms.info['key_value_pairs']['tag'] = int(atoms.info['key_value_pairs']['tag'])
+---> 16 subset_db.write(atoms, **atoms.info['key_value_pairs'])
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/parallel.py:271, in parallel_function.<locals>.new_func(*args, **kwargs)
+    265 @functools.wraps(func)
+    266 def new_func(*args, **kwargs):
+    267     if (world.size == 1 or
+    268         args and getattr(args[0], 'serial', False) or
+    269             not kwargs.pop('parallel', True)):
+    270         # Disable:
+--> 271         return func(*args, **kwargs)
+    273     ex = None
+    274     result = None
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:238, in lock.<locals>.new_method(self, *args, **kwargs)
+    236 else:
+    237     with self.lock:
+--> 238         return method(self, *args, **kwargs)
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:385, in Database.write(self, atoms, key_value_pairs, data, id, **kwargs)
+    382 kvp = dict(key_value_pairs)  # modify a copy
+    383 kvp.update(kwargs)
+--> 385 id = self._write(atoms, kvp, data, id)
+    386 return id
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/sqlite.py:258, in SQLite3Database._write(self, atoms, key_value_pairs, data, id)
+    256 def _write(self, atoms, key_value_pairs, data, id):
+    257     ext_tables = key_value_pairs.pop("external_tables", {})
+--> 258     Database._write(self, atoms, key_value_pairs, data)
+    260     mtime = now()
+    262     encode = self.encode
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:389, in Database._write(self, atoms, key_value_pairs, data, id)
+    388 def _write(self, atoms, key_value_pairs, data, id=None):
+--> 389     check(key_value_pairs)
+    390     return 1
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/db/core.py:154, in check(key_value_pairs)
+    152 for t in [bool, int, float]:
+    153     if str_represents(value, t):
+--> 154         raise ValueError(
+    155             'Value ' + value + ' is put in as string ' +
+    156             'but can be interpreted as ' +
+    157             f'{t.__name__}! Please convert ' +
+    158             f'to {t.__name__} before ' +
+    159             'writing to the database OR change ' +
+    160             'to a different string.')
+
+ValueError: Value True is put in as string but can be interpreted as bool! Please convert to bool before writing to the database OR change to a different string.
+
diff --git a/reports/legacy_tutorials/OCP_Tutorial.err.log b/reports/legacy_tutorials/OCP_Tutorial.err.log
new file mode 100644
index 000000000..fa44db041
--- /dev/null
+++ b/reports/legacy_tutorials/OCP_Tutorial.err.log
@@ -0,0 +1,55 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1314, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
+    return loop.run_until_complete(inner)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/asyncio/base_events.py", line 654, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 709, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1062, in async_execute_cell
+    await self._check_raise_for_error(cell, cell_index, exec_reply)
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
+    raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
+nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
+------------------
+# Returning forces for all atoms - regardless of whether "fixed" or "free"
+i_structure.get_forces(apply_constraint=False)
+------------------
+
+
+---------------------------------------------------------------------------
+PropertyNotImplementedError               Traceback (most recent call last)
+Cell In[18], line 2
+      1 # Returning forces for all atoms - regardless of whether "fixed" or "free"
+----> 2 i_structure.get_forces(apply_constraint=False)
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:812, in Atoms.get_forces(self, apply_constraint, md)
+    810 if self._calc is None:
+    811     raise RuntimeError('Atoms object has no calculator.')
+--> 812 forces = self._calc.get_forces(self)
+    814 if apply_constraint:
+    815     # We need a special md flag here because for MD we want
+    816     # to skip real constraints but include special "constraints"
+    817     # Like Hookean.
+    818     for constraint in self.constraints:
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:30, in GetPropertiesMixin.get_forces(self, atoms)
+     29 def get_forces(self, atoms=None):
+---> 30     return self.get_property('forces', atoms)
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/singlepoint.py:49, in SinglePointCalculator.get_property(self, name, atoms, allow_calculation)
+     47 if name not in self.results or self.check_state(atoms):
+     48     if allow_calculation:
+---> 49         raise PropertyNotImplementedError(
+     50             f'The property "{name}" is not available.')
+     51     return None
+     53 result = self.results[name]
+
+PropertyNotImplementedError: The property "forces" is not available.
+
diff --git a/reports/legacy_tutorials/data_visualization.err.log b/reports/legacy_tutorials/data_visualization.err.log
new file mode 100644
index 000000000..0cd40269b
--- /dev/null
+++ b/reports/legacy_tutorials/data_visualization.err.log
@@ -0,0 +1,55 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1314, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
+    return loop.run_until_complete(inner)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/asyncio/base_events.py", line 654, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 709, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1062, in async_execute_cell
+    await self._check_raise_for_error(cell, cell_index, exec_reply)
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
+    raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
+nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
+------------------
+# Returning forces for all atoms - regardless of whether "fixed" or "free"
+i_structure.get_forces(apply_constraint=False)
+------------------
+
+
+---------------------------------------------------------------------------
+PropertyNotImplementedError               Traceback (most recent call last)
+Cell In[16], line 2
+      1 # Returning forces for all atoms - regardless of whether "fixed" or "free"
+----> 2 i_structure.get_forces(apply_constraint=False)
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/atoms.py:812, in Atoms.get_forces(self, apply_constraint, md)
+    810 if self._calc is None:
+    811     raise RuntimeError('Atoms object has no calculator.')
+--> 812 forces = self._calc.get_forces(self)
+    814 if apply_constraint:
+    815     # We need a special md flag here because for MD we want
+    816     # to skip real constraints but include special "constraints"
+    817     # Like Hookean.
+    818     for constraint in self.constraints:
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/abc.py:30, in GetPropertiesMixin.get_forces(self, atoms)
+     29 def get_forces(self, atoms=None):
+---> 30     return self.get_property('forces', atoms)
+
+File /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/ase/calculators/singlepoint.py:49, in SinglePointCalculator.get_property(self, name, atoms, allow_calculation)
+     47 if name not in self.results or self.check_state(atoms):
+     48     if allow_calculation:
+---> 49         raise PropertyNotImplementedError(
+     50             f'The property "{name}" is not available.')
+     51     return None
+     53 result = self.results[name]
+
+PropertyNotImplementedError: The property "forces" is not available.
+
diff --git a/reports/tutorials/advanced/fine-tuning-in-python.err.log b/reports/tutorials/advanced/fine-tuning-in-python.err.log
new file mode 100644
index 000000000..84329eae9
--- /dev/null
+++ b/reports/tutorials/advanced/fine-tuning-in-python.err.log
@@ -0,0 +1,88 @@
+Traceback (most recent call last):
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_cache/executors/utils.py", line 58, in single_nb_execution
+    executenb(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1314, in execute
+    return NotebookClient(nb=nb, resources=resources, km=km, **kwargs).execute()
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/jupyter_core/utils/__init__.py", line 165, in wrapped
+    return loop.run_until_complete(inner)
+           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/asyncio/base_events.py", line 654, in run_until_complete
+    return future.result()
+           ^^^^^^^^^^^^^^^
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 709, in async_execute
+    await self.async_execute_cell(
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 1062, in async_execute_cell
+    await self._check_raise_for_error(cell, cell_index, exec_reply)
+  File "/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/nbclient/client.py", line 918, in _check_raise_for_error
+    raise CellExecutionError.from_cell_and_msg(cell, exec_reply_content)
+nbclient.exceptions.CellExecutionError: An error occurred while executing the following cell:
+------------------
+from fairchem.core.common.tutorial_utils import generate_yml_config
+
+yml = generate_yml_config(checkpoint_path, 'config.yml',
+                   delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes',
+                           'optim.loss_force', # the checkpoint setting causes an error
+                           'dataset', 'test_dataset', 'val_dataset'],
+                   update={'gpus': 1,
+                           'task.dataset': 'ase_db',
+                           'optim.eval_every': 10,
+                           'optim.max_epochs': 1,
+                           'optim.batch_size': 4,
+                           'logger': 'tensorboard', # don't use wandb unless you already are logged in
+                           # Train data
+                           'dataset.train.src': 'train.db',
+                           'dataset.train.a2g_args.r_energy': True,
+                           'dataset.train.a2g_args.r_forces': True,
+                            # Test data - prediction only so no regression
+                           'dataset.test.src': 'test.db',
+                           'dataset.test.a2g_args.r_energy': False,
+                           'dataset.test.a2g_args.r_forces': False,
+                           # val data
+                           'dataset.val.src': 'val.db',
+                           'dataset.val.a2g_args.r_energy': True,
+                           'dataset.val.a2g_args.r_forces': True,
+                          })
+
+yml
+------------------
+
+
+---------------------------------------------------------------------------
+KeyError                                  Traceback (most recent call last)
+Cell In[5], line 3
+      1 from fairchem.core.common.tutorial_utils import generate_yml_config
+----> 3 yml = generate_yml_config(checkpoint_path, 'config.yml',
+      4                    delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes',
+      5                            'optim.loss_force', # the checkpoint setting causes an error
+      6                            'dataset', 'test_dataset', 'val_dataset'],
+      7                    update={'gpus': 1,
+      8                            'task.dataset': 'ase_db',
+      9                            'optim.eval_every': 10,
+     10                            'optim.max_epochs': 1,
+     11                            'optim.batch_size': 4,
+     12                            'logger': 'tensorboard', # don't use wandb unless you already are logged in
+     13                            # Train data
+     14                            'dataset.train.src': 'train.db',
+     15                            'dataset.train.a2g_args.r_energy': True,
+     16                            'dataset.train.a2g_args.r_forces': True,
+     17                             # Test data - prediction only so no regression
+     18                            'dataset.test.src': 'test.db',
+     19                            'dataset.test.a2g_args.r_energy': False,
+     20                            'dataset.test.a2g_args.r_forces': False,
+     21                            # val data
+     22                            'dataset.val.src': 'val.db',
+     23                            'dataset.val.a2g_args.r_energy': True,
+     24                            'dataset.val.a2g_args.r_forces': True,
+     25                           })
+     27 yml
+
+File ~/work/fairchem/fairchem/src/fairchem/core/common/tutorial_utils.py:178, in generate_yml_config(checkpoint_path, yml, delete, update)
+    175     nested_set(config, keys, update[_key])
+    177 # TODO : Do not rename keys in utils.py when reading a config
+--> 178 config["evaluation_metrics"]=config["eval_metrics"]
+    179 config.pop("eval_metrics")
+    181 out = dump(config)
+
+KeyError: 'eval_metrics'
+
diff --git a/search.html b/search.html
index 0f25c4f51..4160248c5 100644
--- a/search.html
+++ b/search.html
@@ -12,46 +12,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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+  <link href="_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
-<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae" />
-  <script src="_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
     <script src="_static/documentation_options.js?v=9eb32ce0"></script>
     <script src="_static/doctools.js?v=9a2dae69"></script>
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     <script src="_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="_static/copybutton.js?v=f281be69"></script>
-    <script src="_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
     <script>let toggleOpenOnPrint = 'true';</script>
     <script src="_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="_static/design-tabs.js?v=36754332"></script>
+    <script src="_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
     <script async="async" src="_static/sphinx-thebe.js?v=c100c467"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
@@ -71,27 +71,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -113,8 +109,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -140,6 +141,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="index.html">
   
@@ -155,7 +158,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -243,7 +246,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -252,8 +255,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -263,8 +266,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -286,133 +289,136 @@
 <li class="toctree-l2"><a class="reference internal" href="legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1 has-children"><a class="reference internal" href="autoapi/index.html">API Reference</a><input class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.transforms</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.typing</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.common.utils</span></code></a></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/common/index.html">core.common</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/relaxation/index.html">core.common.relaxation</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/data_parallel/index.html">core.common.data_parallel</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/distutils/index.html">core.common.distutils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/flags/index.html">core.common.flags</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/gp_utils/index.html">core.common.gp_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/hpo_utils/index.html">core.common.hpo_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/logger/index.html">core.common.logger</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/registry/index.html">core.common.registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/transforms/index.html">core.common.transforms</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/tutorial_utils/index.html">core.common.tutorial_utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/typing/index.html">core.common.typing</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/common/utils/index.html">core.common.utils</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-7" name="toctree-checkbox-7" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-7"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/embeddings/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.embeddings</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets._utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/ase_datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.ase_datasets</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/lmdb_database/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_database</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/oc22_lmdb_dataset/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.oc22_lmdb_dataset</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.datasets.target_metadata_guesser</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/datasets/index.html">core.datasets</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/embeddings/index.html">core.datasets.embeddings</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/_utils/index.html">core.datasets._utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/ase_datasets/index.html">core.datasets.ase_datasets</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/lmdb_database/index.html">core.datasets.lmdb_database</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/lmdb_dataset/index.html">core.datasets.lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/datasets/target_metadata_guesser/index.html">core.datasets.target_metadata_guesser</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-8" name="toctree-checkbox-8" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-8"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/equiformer_v2/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.equiformer_v2</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.escn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_gp</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.gemnet_oc</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.painn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.scn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.base</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.model_registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.models.schnet</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/models/index.html">core.models</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/equiformer_v2/index.html">core.models.equiformer_v2</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/escn/index.html">core.models.escn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet/index.html">core.models.gemnet</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet_gp/index.html">core.models.gemnet_gp</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/gemnet_oc/index.html">core.models.gemnet_oc</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/painn/index.html">core.models.painn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/scn/index.html">core.models.scn</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/utils/index.html">core.models.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/base/index.html">core.models.base</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/model_registry/index.html">core.models.model_registry</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/models/schnet/index.html">core.models.schnet</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-9" name="toctree-checkbox-9" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-9"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/scaling/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scaling</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/evaluator/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.evaluator</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/exponential_moving_average/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.exponential_moving_average</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/loss/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.loss</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/normalizer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.normalizer</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/scheduler/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.scheduler</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.modules.transforms</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/scaling/index.html">core.modules.scaling</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/evaluator/index.html">core.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/exponential_moving_average/index.html">core.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/modules/transforms/index.html">core.modules.transforms</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/preprocessing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-10" name="toctree-checkbox-10" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-10"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/preprocessing/atoms_to_graphs/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.preprocessing.atoms_to_graphs</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/scripts/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-11" name="toctree-checkbox-11" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-11"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/hpo/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.hpo</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/download_data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.download_data</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/gif_maker_parallelized/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.gif_maker_parallelized</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_challenge_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_challenge_submission_file</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_lmdb_sizes/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_lmdb_sizes</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_submission_file/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.make_submission_file</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/preprocess_ef/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_ef</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/preprocess_relaxed/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.preprocess_relaxed</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/uncompress/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.scripts.uncompress</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/tasks/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-12" name="toctree-checkbox-12" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-12"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/tasks/task/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.tasks.task</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/tasks/task/index.html">core.tasks.task</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/trainers/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-13" name="toctree-checkbox-13" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-13"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/trainers/base_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.base_trainer</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/core/trainers/ocp_trainer/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core.trainers.ocp_trainer</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="autoapi/core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">core._cli</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="autoapi/core/_cli/index.html">core._cli</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="autoapi/data/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-14" name="toctree-checkbox-14" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-14"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+                <footer class="prev-next-footer d-print-none">
                   
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index b78f14787..d0308829c 100644
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"ocpapi.client.models.Status.DOES_NOT_EXIST", false]], "does_not_exist (ocpapi.client.status attribute)": [[185, "ocpapi.client.Status.DOES_NOT_EXIST", false]], "does_not_exist (ocpapi.status attribute)": [[188, "ocpapi.Status.DOES_NOT_EXIST", false]], "download_links_is2re (in module core.scripts.download_data)": [[135, "core.scripts.download_data.DOWNLOAD_LINKS_is2re", false]], "download_links_s2ef (in module core.scripts.download_data)": [[135, "core.scripts.download_data.DOWNLOAD_LINKS_s2ef", false]], "drop_path() (in module core.models.equiformer_v2.drop)": [[46, "core.models.equiformer_v2.drop.drop_path", false]], "droppath (class in core.models.equiformer_v2.drop)": [[46, "core.models.equiformer_v2.drop.DropPath", false]], "edgeblock (class in core.models.escn.escn)": [[63, "core.models.escn.escn.EdgeBlock", false]], "edgeblock (class in core.models.scn.scn)": [[115, "core.models.scn.scn.EdgeBlock", false]], "edgedegreeembedding (class in core.models.equiformer_v2.input_block)": 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class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.datasets</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.datasets.lmdb_database</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.datasets.lmdb_dataset</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.datasets.oc22_lmdb_dataset</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.datasets.target_metadata_guesser</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.models.base</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.models.dimenet_plus_plus</span></code>", "<code class=\"xref py py-mod docutils 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class=\"pre\">core.scripts.make_submission_file</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.scripts.preprocess_ef</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.scripts.preprocess_relaxed</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.scripts.uncompress</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.tasks</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.tasks.task</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.trainers.base_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.trainers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">core.trainers.ocp_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core.adsorbate</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core.adsorbate_slab_config</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core.bulk</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core.multi_adsorbate_slab_config</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.core.slab</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.databases</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.databases.pkls</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.databases.update</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.experimental.get_energies</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.experimental.merge_traj</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.experimental.perturb_systems</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.experimental.rattle_test</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.experimental.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.scripts.precompute_sample_structures</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.structure_generator</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.tests</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.utils.flag_anomaly</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.oc.utils.vasp</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.odac.force_field.FF_analysis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.odac</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.odac.promising_mof.promising_mof_energies.energy</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om.biomolecules.geom.sample_geom_drugs</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om.biomolecules.geom.write_geom_drugs_structures</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om.omdata.orca.calc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om.omdata.orca</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">data.om.omdata.orca.recipes</span></code>", "API Reference", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.client.client</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.client</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.client.models</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.client.ui</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.version</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows.adsorbates</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows.context</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows.filter</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows.log</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpapi.workflows.retry</span></code>", "Making and using ASE datasets", "Open Catalyst 2020 (OC20)", "Open Catalyst 2020 Dense (OC20Dense)", "Open Catalyst 2020 Nudged Elastic Band (OC20NEB)", "Open Catalyst 2022 (OC22)", "Open Direct Air Capture 2023 (ODAC23)", "Fine tuning a model", "Common gotchas with fairchem", "Fast batched inference", "Installation", "Why model atoms for climate?", "License", "Making LMDB Datasets (original format, deprecated for ASE LMDBs)", "Pretrained FAIRChem models", "Model FAQ", "Training and evaluating custom models on OCP datasets", "ocpapi", "Studies that have leveraged OCP models", "Using pre-trained models in ASE", "Notebook execution times", "FAIR-Chem overview", "Open Catalyst Project Tutorial Notebook", "OCP Data Preprocessing Tutorial", "OCP Data Visualization", "Legacy [deprecated] Tutorials", "Using OCP to enumerate adsorbates on alloy catalyst surfaces", "Screening catalysts with OCP", "Simple simulations using the OCP ASE calculator", "AdsorbML tutorial", "Advanced OCP usage", "Working with embeddings", "Fine-tuning with Python", "CatTSunami tutorial", "Intro and background on OCP and DFT", "Technical presentations"], "titleterms": {"001": 228, "1": 197, "1min": 217, "2": 197, "2020": [197, 198, 199, 209], "2021": 197, "2022": [200, 209], "2023": [201, 209], "2023_neurips_challeng": 0, "6b": 221, "A": 226, "ASE": [196, 204, 208, 214, 223], "The": [203, 204], "To": 203, "_cli": 12, "_util": 30, "about": [212, 229], "abstract": 229, "acknowledg": 216, "across": 223, "activ": [45, 118], "ad": 218, "addit": [205, 217, 218], "adsorb": [153, 190, 197, 212, 221, 224], 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223], "can": 203, "captur": [201, 209], "catalyst": [197, 198, 199, 200, 209, 217, 221, 222], "cattsunami": [5, 6, 7, 8, 9, 10, 11, 228], "cell": [217, 219, 223], "ch": 228, "challenge_ev": 0, "chang": 212, "changelog": 197, "charg": [197, 201], "checkpoint": [202, 217, 229], "chem": 216, "cite": [197, 200, 201, 212, 216], "class": [5, 6, 7, 8, 12, 13, 15, 16, 19, 20, 21, 25, 26, 29, 31, 37, 38, 39, 40, 43, 44, 45, 46, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 60, 61, 63, 64, 65, 66, 67, 69, 70, 72, 73, 75, 76, 77, 79, 80, 82, 83, 85, 86, 88, 89, 90, 92, 93, 96, 97, 99, 100, 101, 103, 104, 105, 109, 110, 112, 113, 115, 116, 117, 118, 119, 121, 122, 124, 125, 128, 129, 131, 132, 133, 134, 147, 148, 149, 150, 151, 153, 154, 155, 156, 157, 158, 169, 171, 172, 184, 185, 186, 188, 190, 192, 193, 195], "client": [184, 185, 186, 187], "climat": [206, 217], "clone": 205, "cluster": 226, "cmd": 217, "co": [208, 218], "code": 227, "command": [211, 217], "common": [13, 14, 15, 16, 17, 18, 19, 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\ No newline at end of file
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 <li class="toctree-l1"><a class="reference internal" href="../adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
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 </ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
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-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
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 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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-</label>
+</button>
 </div></div>
       
     </div>
@@ -763,7 +769,7 @@ <h2>Work out a single example<a class="headerlink" href="#work-out-a-single-exam
 </div>
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+<img alt="../../_images/aa9c48a376f197fd6af81fc45cf79b9b33cdda12a663b0d6738ebcb554964f0a.png" src="../../_images/aa9c48a376f197fd6af81fc45cf79b9b33cdda12a663b0d6738ebcb554964f0a.png" />
 </div>
 </div>
 <section id="run-an-ml-relaxation">
@@ -807,35 +813,35 @@ <h3>Run an ML relaxation<a class="headerlink" href="#run-an-ml-relaxation" title
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 19:59:22        0.121665        0.5958
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:08:22        0.121665        0.595818
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:59:24        0.108775        0.5586
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:08:23        0.108775        0.558622
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:59:25        0.007164        0.1824
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:08:24        0.007164        0.182441
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:59:26        0.004571        0.1642
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:08:26        0.004571        0.164238
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:59:28       -0.013285        0.0927
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:08:27       -0.013285        0.092712
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:59:29       -0.014364        0.0835
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:08:29       -0.014364        0.083465
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:59:30       -0.013587        0.0694
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:08:30       -0.013587        0.069402
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:59:32       -0.014190        0.0664
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:08:31       -0.014190        0.066390
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:59:33       -0.022685        0.0254
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:08:33       -0.022689        0.025386
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time 12.3 seconds
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>Elapsed time 12.8 seconds
 </pre></div>
 </div>
 </div>
@@ -965,42 +971,42 @@ <h1>Run all the systems<a class="headerlink" href="#run-all-the-systems" title="
 Running data/oqmd-349719_H/0
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 18.9 seconds for data/oqmd-349719_H/0
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 56.7 seconds for data/oqmd-349719_H/0
 Running data/oqmd-349719_H/1
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 56.6 seconds for data/oqmd-349719_H/1
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 54.8 seconds for data/oqmd-349719_H/1
 Running data/oqmd-349719_H/2
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 57.0 seconds for data/oqmd-349719_H/2
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 18.1 seconds for data/oqmd-349719_H/2
 Running data/oqmd-349719_H/3
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 16.1 seconds for data/oqmd-349719_H/3
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 38.6 seconds for data/oqmd-349719_H/3
 Running data/oqmd-349719_NNH/0
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 139.9 seconds for data/oqmd-349719_NNH/0
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 135.2 seconds for data/oqmd-349719_NNH/0
 Running data/oqmd-349719_NNH/1
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 141.9 seconds for data/oqmd-349719_NNH/1
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 133.6 seconds for data/oqmd-349719_NNH/1
 Running data/oqmd-349719_NNH/2
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 142.4 seconds for data/oqmd-349719_NNH/2
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 134.7 seconds for data/oqmd-349719_NNH/2
 Running data/oqmd-349719_NNH/3
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [11:37&lt;00:00, 697.63s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [11:49&lt;00:00, 709.52s/it]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [11:37&lt;00:00, 697.63s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [11:49&lt;00:00, 709.52s/it]
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 123.2 seconds for data/oqmd-349719_NNH/3
-Elapsed time: 697.6 seconds
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  Elapsed time: 136.3 seconds for data/oqmd-349719_NNH/3
+Elapsed time: 709.5 seconds
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1183,15 +1189,15 @@ <h1>Make parity plots for values obtained by ML v. reported in the paper<a class
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_mstats_common.py:182: RuntimeWarning: invalid value encountered in scalar divide
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_py.py:10917: RuntimeWarning: invalid value encountered in scalar divide
   slope = ssxym / ssxm
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_mstats_common.py:196: RuntimeWarning: invalid value encountered in sqrt
+/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_py.py:10931: RuntimeWarning: invalid value encountered in sqrt
   t = r * np.sqrt(df / ((1.0 - r + TINY)*(1.0 + r + TINY)))
-/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_mstats_common.py:199: RuntimeWarning: invalid value encountered in scalar divide
+/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/scipy/stats/_stats_py.py:10934: RuntimeWarning: invalid value encountered in scalar divide
   slope_stderr = np.sqrt((1 - r**2) * ssym / ssxm / df)
 </pre></div>
 </div>
-<img alt="../../_images/0b38dba7a506f58f1088c4216f1435eee51f60a59597dd04586b419be342065c.png" src="../../_images/0b38dba7a506f58f1088c4216f1435eee51f60a59597dd04586b419be342065c.png" />
+<img alt="../../_images/5bdd5d3f33a4524753684055a5fad4bd82a39e4c1cb11bce1b30401925c81ecf.png" src="../../_images/5bdd5d3f33a4524753684055a5fad4bd82a39e4c1cb11bce1b30401925c81ecf.png" />
 </div>
 </div>
 </section>
@@ -1245,7 +1251,7 @@ <h1>Make figure 6b and compare to literature results<a class="headerlink" href="
 </div>
 </div>
 <div class="cell_output docutils container">
-<img alt="../../_images/2a7e36b80dba46fd2a151b1148829ee95cd0d868cbabf8079890b1294a0cf023.png" src="../../_images/2a7e36b80dba46fd2a151b1148829ee95cd0d868cbabf8079890b1294a0cf023.png" />
+<img alt="../../_images/94c2a08ab1ceaa205ecfb8d62e483d28be81d8c1237c2118d10d4eb766bec1fc.png" src="../../_images/94c2a08ab1ceaa205ecfb8d62e483d28be81d8c1237c2118d10d4eb766bec1fc.png" />
 </div>
 </div>
 </section>
@@ -1277,7 +1283,7 @@ <h1>Make figure 6b and compare to literature results<a class="headerlink" href="
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1376,8 +1382,8 @@ <h1>Make figure 6b and compare to literature results<a class="headerlink" href="
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
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   <footer class="bd-footer">
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diff --git a/tutorials/NRR/NRR_toc.html b/tutorials/NRR/NRR_toc.html
index 17f5fa223..a6ad3fe42 100644
--- a/tutorials/NRR/NRR_toc.html
+++ b/tutorials/NRR/NRR_toc.html
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-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
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-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   <span class="fa-solid fa-bars"></span>
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 <script>
 document.write(`
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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 `);
@@ -656,7 +662,7 @@ <h1>Screening catalysts with OCP<a class="headerlink" href="#screening-catalysts
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -684,8 +690,6 @@ <h1>Screening catalysts with OCP<a class="headerlink" href="#screening-catalysts
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -729,8 +733,8 @@ <h1>Screening catalysts with OCP<a class="headerlink" href="#screening-catalysts
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+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/tutorials/OCP-introduction.html b/tutorials/OCP-introduction.html
index 40c2e20e8..6dc2ed65e 100644
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+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
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   <input type="checkbox"
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
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 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.log</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -735,56 +741,60 @@ <h1>Calculating adsorption energies<a class="headerlink" href="#calculating-adso
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:11:22        1.213984        1.6309
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/3494085424.py:6: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:20:33        1.213988        1.630876
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:11:23        1.072816        0.9064
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:20:34        1.072815        0.906402
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:11:24        0.981514        0.6399
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:20:34        0.981515        0.639872
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:11:24        0.960242        0.6899
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:20:35        0.960242        0.689924
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:11:25        0.880960        0.5561
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:20:36        0.880960        0.556055
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:11:25        0.835159        0.3768
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:20:36        0.835474        0.376718
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:11:26        0.825383        0.4238
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:20:37        0.823637        0.422304
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:11:27        0.812574        0.5151
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:20:37        0.812633        0.515731
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:11:27        0.824256        0.8787
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:20:38        0.826238        0.888777
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:11:28        0.780693        0.3527
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:20:39        0.781047        0.355273
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:11:29        0.770505        0.1983
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:20:39        0.772206        0.202131
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:11:29        0.757436        0.1239
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:20:40        0.757243        0.123389
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:11:30        0.755145        0.1129
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:20:40        0.755195        0.112689
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:11:30        0.754064        0.1039
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:20:41        0.754058        0.103631
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:11:31        0.755038        0.0849
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:20:42        0.755216        0.084657
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:11:32        0.757323        0.0496
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:20:42        0.758608        0.047085
 </pre></div>
 </div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-2.272676794528961
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-2.2713921952247618
 </pre></div>
 </div>
 </div>
@@ -804,7 +814,7 @@ <h1>Calculating adsorption energies<a class="headerlink" href="#calculating-adso
 </div>
 </div>
 <div class="cell_output docutils container">
-<img alt="../_images/bbcdf4041608d504f21067b7d943775e57c118bd336ad784fef9b16e4bdbaa0f.png" src="../_images/bbcdf4041608d504f21067b7d943775e57c118bd336ad784fef9b16e4bdbaa0f.png" />
+<img alt="../_images/b8052939c33bb828c2eeea1d03c48c2129394702e972919142009dcc8bff305e.png" src="../_images/b8052939c33bb828c2eeea1d03c48c2129394702e972919142009dcc8bff305e.png" />
 </div>
 </div>
 <p>How did we do? We need a reference point. In the paper below, there is an atomic adsorption energy for O on Pt(111) of about -4.264 eV. This is for the reaction O + * -&gt; O*. To convert this to the dissociative adsorption energy, we have to add the reaction:</p>
@@ -909,23 +919,27 @@ <h1>Trends in adsorption energies across metals.<a class="headerlink" href="#tre
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:11:33        0.720968        0.2180
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/2476004300.py:10: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:11:33        0.717584        0.1822
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:20:43        0.720972        0.217972
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:11:34        0.707521        0.0674
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:20:44        0.717582        0.182151
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:11:35        0.705304        0.0621
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:20:44        0.707524        0.067379
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:11:35        0.701210        0.0498
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:20:45        0.705303        0.062094
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-4.908790395259857
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:20:46        0.701208        0.049769
+</pre></div>
+</div>
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>-4.90879206418991
 </pre></div>
 </div>
 </div>
@@ -988,10 +1002,14 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.04s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/1169188772.py:27: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.04s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.86s/it]
+</pre></div>
+</div>
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.86s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1000,10 +1018,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.49s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.34s/it]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.49s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.34s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1015,10 +1033,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.04s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.91s/it]
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.04s/it]
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 </pre></div>
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@@ -1027,10 +1045,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
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 </pre></div>
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@@ -1042,10 +1060,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
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 </pre></div>
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@@ -1054,10 +1072,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
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+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.37s/it]
 </pre></div>
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.53s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:03&lt;00:00,  3.37s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1069,10 +1087,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.50s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.38s/it]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.50s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:02&lt;00:00,  2.38s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1081,10 +1099,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.49s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.43s/it]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.49s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.44s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1096,10 +1114,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.00it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.04it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.00it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.03it/s]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1108,10 +1126,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
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-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.00it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.12it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.00it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  2.11it/s]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1123,10 +1141,10 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.47s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.43s/it]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.47s/it]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:01&lt;00:00,  1.43s/it]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
@@ -1135,16 +1153,16 @@ <h2>Site correlations<a class="headerlink" href="#site-correlations" title="Link
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>  0%|          | 0/1 [00:00&lt;?, ?it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  1.01it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  1.04it/s]
 </pre></div>
 </div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  1.01it/s]
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>100%|██████████| 1/1 [00:00&lt;00:00,  1.04it/s]
 </pre></div>
 </div>
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
 </pre></div>
 </div>
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;Elapsed time = 26.3948175907135 seconds&#39;
+<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&#39;Elapsed time = 24.901930570602417 seconds&#39;
 </pre></div>
 </div>
 </div>
@@ -1215,6 +1233,10 @@ <h2>Effects of number of layers<a class="headerlink" href="#effects-of-number-of
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/4214609233.py:5: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>nlayers = 3: -2.38 eV
 </pre></div>
 </div>
@@ -1259,6 +1281,10 @@ <h2>Effects of relaxation<a class="headerlink" href="#effects-of-relaxation" tit
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/2738246227.py:9: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>nlayers = 3: -2.22 eV
 </pre></div>
 </div>
@@ -1300,6 +1326,10 @@ <h2>Unit cell size<a class="headerlink" href="#unit-cell-size" title="Link to th
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_2909/1073633840.py:7: DeprecationWarning: Please use atoms.calc = calc
+  slab.set_calculator(calc)
+</pre></div>
+</div>
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>(1x1): -1.00 eV
 </pre></div>
 </div>
@@ -1351,7 +1381,7 @@ <h2>Summary<a class="headerlink" href="#summary" title="Link to this heading">#<
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1457,8 +1487,8 @@ <h2>Summary<a class="headerlink" href="#summary" title="Link to this heading">#<
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/tutorials/adsorbml_walkthrough.html b/tutorials/adsorbml_walkthrough.html
index 941a4e0e8..bbaf3479f 100644
--- a/tutorials/adsorbml_walkthrough.html
+++ b/tutorials/adsorbml_walkthrough.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
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-  <link href="../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
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-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
+    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=a3416100" />
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-    <link rel="stylesheet" type="text/css" href="../_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css?v=0a3b3ea7" />
+    <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
   
   <!-- Pre-loaded scripts that we'll load fully later -->
-  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae" />
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-  <script src="../_static/vendor/fontawesome/6.5.1/js/all.min.js?digest=8d27b9dea8ad943066ae"></script>
+  <link rel="preload" as="script" href="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b" />
+<link rel="preload" as="script" href="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b" />
+  <script src="../_static/vendor/fontawesome/6.5.2/js/all.min.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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     <script src="../_static/clipboard.min.js?v=a7894cd8"></script>
     <script src="../_static/copybutton.js?v=f281be69"></script>
-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script src="../_static/togglebutton.js?v=4a39c7ea"></script>
     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1 current active"><a class="current reference internal" href="#">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
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+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
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-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -724,531 +730,486 @@ <h2>Run ML relaxations:<a class="headerlink" href="#run-ml-relaxations" title="L
 <div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>WARNING:root:No seed has been set in modelcheckpoint or OCPCalculator! Results may not be reproducible on re-run
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:15:34       -0.392109        1.8974
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:15:37       -0.394567        2.3070
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:15:40       -0.429140        0.8104
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:15:42       -0.456174        0.7917
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:15:45       -0.508296        1.2134
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:15:48       -0.543666        0.2788
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:15:50       -0.544209        0.1802
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:15:53       -0.545963        0.3504
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:15:56       -0.547762        0.3603
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:15:58       -0.553835        0.2566
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:16:01       -0.557041        0.1161
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:16:04       -0.559577        0.1135
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:16:06       -0.560044        0.1847
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:16:09       -0.561261        0.2147
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:16:12       -0.561888        0.2065
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:24:36       -0.461948        1.866917
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:16:14       -0.563026        0.1236
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:24:39       -0.459146        2.286165
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:16:17       -0.563522        0.0575
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:24:41       -0.489825        0.676917
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:16:20       -0.564205        0.0752
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:24:44       -0.506796        0.608229
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:16:22       -0.564854        0.0769
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:24:47       -0.538417        1.121718
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:16:25       -0.566027        0.1281
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:24:49       -0.557211        0.672030
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 20:16:28       -0.567587        0.0452
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:24:52       -0.561518        0.183509
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:16:30       -0.455141        1.8491
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:24:54       -0.562592        0.086276
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:16:33       -0.451720        2.2686
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:24:57       -0.562426        0.167745
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:16:36       -0.481683        0.6927
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:24:59       -0.561973        0.169375
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:16:38       -0.499681        0.6386
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:25:02       -0.563810        0.099472
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:16:41       -0.532669        1.1798
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:25:05       -0.564535        0.038663
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:16:44       -0.554415        0.7005
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:25:07       -0.366166        1.324860
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:16:46       -0.558805        0.1967
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:25:10       -0.373392        1.676634
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:16:49       -0.559188        0.0926
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:25:12       -0.403952        1.053457
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:16:52       -0.559627        0.1747
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:25:15       -0.504475        1.065460
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:16:54       -0.560316        0.1891
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:25:17       -0.509381        0.345691
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:16:57       -0.562731        0.1259
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:25:20       -0.509747        0.179749
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:17:00       -0.565298        0.0513
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:25:23       -0.510282        0.352731
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:17:02       -0.565096        0.0412
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:25:25       -0.511861        0.416035
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:17:05       -0.214366        1.0468
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:25:28       -0.515590        0.276051
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:17:08       -0.246885        1.5027
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:25:30       -0.518244        0.103116
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:17:10       -0.338854        1.7618
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:25:33       -0.517286        0.145511
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:17:13       -0.427056        1.5119
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:25:35       -0.519552        0.329565
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:17:16       -0.461248        0.7492
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:25:38       -0.520561        0.383791
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:17:18       -0.481764        0.3518
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:25:40       -0.521515        0.235457
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:17:21       -0.490019        0.2558
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:25:43       -0.522476        0.071193
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:17:24       -0.492397        0.2415
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:25:46       -0.522901        0.049510
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:17:27       -0.510544        0.4418
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:25:48       -0.456570        1.847276
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:17:29       -0.513243        0.1950
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:25:50       -0.455737        2.266835
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:17:32       -0.515944        0.1116
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:25:53       -0.485373        0.683763
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:17:35       -0.517438        0.1815
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:25:56       -0.502927        0.626690
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:17:37       -0.519708        0.2618
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:25:58       -0.534709        1.170077
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:17:40       -0.522313        0.2968
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:26:01       -0.555109        0.714386
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:17:43       -0.525594        0.2765
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:26:03       -0.559974        0.202202
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:17:45       -0.527678        0.2040
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:26:06       -0.560856        0.082975
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:17:48       -0.528066        0.0771
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:26:08       -0.561330        0.158905
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:17:51       -0.528204        0.0933
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:26:11       -0.561686        0.172099
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:17:53       -0.529335        0.1094
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:26:14       -0.563756        0.112249
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:17:56       -0.530927        0.0731
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:26:16       -0.565764        0.042698
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 20:17:59       -0.532342        0.0277
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:26:19       -0.236714        1.108878
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:18:01       -0.366241        1.3265
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:26:21       -0.267426        1.493423
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:18:04       -0.375186        1.6807
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:26:24       -0.364842        1.829411
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:18:06       -0.405418        1.0515
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:26:26       -0.440361        1.461039
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:18:09       -0.504786        1.0872
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:26:29       -0.477645        0.633596
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:18:12       -0.509891        0.3581
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:26:31       -0.495050        0.291021
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:18:14       -0.510414        0.1712
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:26:34       -0.501375        0.166180
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:18:17       -0.510090        0.3356
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:26:37       -0.502301        0.153794
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:18:20       -0.512328        0.4088
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:26:39       -0.516873        0.200389
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:18:22       -0.515050        0.2715
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:26:42       -0.520295        0.188864
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:18:25       -0.517666        0.0965
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:26:44       -0.522029        0.081350
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:18:28       -0.518904        0.1357
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:26:47       -0.524436        0.209117
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:18:30       -0.519504        0.3195
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:26:49       -0.527157        0.307057
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:18:33       -0.521657        0.3735
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:26:52       -0.529080        0.264643
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:18:36       -0.522849        0.2318
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:26:54       -0.529319        0.183639
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:18:38       -0.523382        0.0697
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:26:57       -0.528002        0.078678
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:18:41       -0.523725        0.0442
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:26:59       -0.528538        0.075310
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:18:43       -0.189618        0.9223
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:27:02       -0.532273        0.166193
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:18:46       -0.217891        1.0083
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 19:27:05       -0.533819        0.122606
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:18:49       -0.443630        0.7108
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 19:27:07       -0.536189        0.015715
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:18:51       -0.443759        0.6712
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:27:10       -0.285729        1.331510
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:18:54       -0.452831        0.3585
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:27:12       -0.296339        1.645354
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:18:57       -0.460363        0.5374
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:27:15       -0.333240        1.245343
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:18:59       -0.470867        0.7950
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:27:17       -0.420137        1.487000
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:19:02       -0.484084        0.7511
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:27:20       -0.461859        0.534914
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:19:05       -0.491357        0.2775
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:27:23       -0.473413        0.320186
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:19:07       -0.493203        0.0897
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:27:25       -0.480109        0.404761
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:19:10       -0.493939        0.1627
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:27:28       -0.487777        0.469578
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:19:12       -0.495095        0.2243
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:27:30       -0.511761        0.757800
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:19:15       -0.496580        0.2317
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:27:33       -0.525671        0.591041
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:19:18       -0.498269        0.1716
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:27:35       -0.540188        0.322405
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:19:20       -0.501202        0.1080
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:27:38       -0.544646        0.289144
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:19:23       -0.502163        0.0708
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:27:40       -0.550680        0.288506
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:19:26       -0.503388        0.1532
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:27:43       -0.556145        0.211999
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:19:28       -0.504177        0.1808
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:27:46       -0.559140        0.148906
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:19:31       -0.505744        0.1435
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:27:48       -0.559081        0.125514
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:19:34       -0.507601        0.0614
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:27:51       -0.559854        0.111411
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 20:19:36       -0.508405        0.0567
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:27:53       -0.562207        0.080075
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   21 20:19:39       -0.509352        0.0751
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 19:27:56       -0.563360        0.067556
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   22 20:19:41       -0.510290        0.0895
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 19:27:58       -0.564875        0.068752
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   23 20:19:44       -0.510408        0.0883
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 19:28:01       -0.565843        0.037788
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   24 20:19:47       -0.511485        0.0579
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:28:03       -0.302592        1.480638
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   25 20:19:49       -0.511962        0.0452
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:28:06       -0.309877        1.848891
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:19:52       -0.234277        1.3395
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:28:09       -0.341471        1.056906
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:19:55       -0.244507        1.5581
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:28:11       -0.445736        1.348567
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:19:57       -0.278331        1.1877
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:28:14       -0.489738        0.478662
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:20:00       -0.412141        2.3822
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:28:16       -0.493172        0.253504
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:20:03       -0.441446        0.5074
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:28:19       -0.495369        0.532046
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:20:05       -0.458624        0.3365
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:28:22       -0.498729        0.661303
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:20:08       -0.472990        0.4975
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:28:24       -0.506632        0.611981
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:20:11       -0.484597        0.4662
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:28:27       -0.512870        0.337178
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:20:13       -0.506717        0.2050
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:28:29       -0.517239        0.170203
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:20:16       -0.511819        0.2018
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:28:32       -0.519434        0.279720
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:20:18       -0.515660        0.1784
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:28:34       -0.520915        0.394661
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:20:21       -0.519447        0.1945
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:28:37       -0.522741        0.319789
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:20:24       -0.523350        0.1870
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:28:40       -0.525055        0.435700
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:20:26       -0.525959        0.2220
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:28:42       -0.527153        0.172192
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:20:29       -0.527127        0.1637
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:28:45       -0.527510        0.168789
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:20:31       -0.527451        0.0764
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:28:47       -0.528380        0.208665
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:20:34       -0.527276        0.0783
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 19:28:50       -0.532283        0.267593
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:20:37       -0.527692        0.0772
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 19:28:52       -0.536865        0.215045
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:20:39       -0.527717        0.0975
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 19:28:55       -0.539050        0.107984
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:20:42       -0.528108        0.0477
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   21 19:28:57       -0.539876        0.124290
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:20:45       -0.187347        0.9004
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   22 19:29:00       -0.538492        0.261632
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:20:47       -0.203000        0.9274
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   23 19:29:03       -0.539560        0.330350
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:20:50       -0.292177        2.0110
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   24 19:29:05       -0.545090        0.326709
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:20:52       -0.302851        3.5155
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   25 19:29:08       -0.551601        0.196929
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:20:55       -0.382647        0.9988
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   26 19:29:10       -0.552612        0.087171
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:20:58       -0.399816        0.5245
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   27 19:29:13       -0.553035        0.160864
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:21:00       -0.418783        0.5064
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   28 19:29:15       -0.554341        0.181390
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:21:03       -0.430517        0.5201
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   29 19:29:18       -0.557368        0.170466
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:21:05       -0.453938        0.3023
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   30 19:29:21       -0.559584        0.065861
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:21:08       -0.459901        0.3121
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   31 19:29:23       -0.561123        0.068121
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:21:11       -0.462364        0.2430
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   32 19:29:26       -0.561407        0.061070
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:21:13       -0.464984        0.1956
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   33 19:29:28       -0.562072        0.065598
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:21:16       -0.467179        0.4016
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   34 19:29:31       -0.563277        0.074301
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:21:19       -0.472894        0.4821
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   35 19:29:33       -0.565140        0.096916
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:21:21       -0.476876        0.4538
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   36 19:29:36       -0.567875        0.055078
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:21:24       -0.482771        0.1999
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   37 19:29:39       -0.568040        0.038567
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:21:27       -0.487626        0.2010
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:29:41       -0.284888        1.105885
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:21:29       -0.490272        0.3800
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:29:44       -0.298054        1.360776
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:21:32       -0.492106        0.5239
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:29:46       -0.349238        1.442511
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:21:34       -0.496587        0.5574
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:29:49       -0.365333        2.005038
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 20:21:37       -0.501733        0.2634
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:29:51       -0.453263        0.465394
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   21 20:21:40       -0.504002        0.1569
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:29:54       -0.467612        0.275726
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   22 20:21:42       -0.504067        0.2264
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:29:56       -0.472430        0.324298
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   23 20:21:45       -0.504749        0.3854
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:29:59       -0.475375        0.339173
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   24 20:21:48       -0.507950        0.4038
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:30:01       -0.497261        0.274421
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   25 20:21:50       -0.514548        0.1956
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:30:04       -0.502628        0.200698
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   26 20:21:53       -0.516097        0.0720
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:30:07       -0.508092        0.211127
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   27 20:21:55       -0.516352        0.1106
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:30:09       -0.511105        0.218910
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   28 20:21:58       -0.517254        0.1486
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:30:12       -0.517617        0.234705
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   29 20:22:01       -0.518462        0.1137
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:30:14       -0.523122        0.179778
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   30 20:22:03       -0.519218        0.0466
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:30:17       -0.524820        0.146642
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy         fmax
-BFGS:    0 20:22:06       -0.229722        1.0331
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:30:19       -0.525172        0.155397
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 20:22:09       -0.244770        1.1025
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:30:22       -0.524836        0.133249
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 20:22:11       -0.318417        1.7534
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:30:24       -0.525386        0.089630
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 20:22:14       -0.293936        4.0703
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 19:30:27       -0.527208        0.061987
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 20:22:16       -0.419517        0.7125
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 19:30:30       -0.526824        0.066453
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 20:22:19       -0.438726        0.4717
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 19:30:32       -0.527963        0.046787
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 20:22:22       -0.454596        0.4734
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>      Step     Time          Energy          fmax
+BFGS:    0 19:30:35       -0.149858        0.769139
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 20:22:25       -0.461689        0.4660
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    1 19:30:37       -0.176401        1.072736
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 20:22:27       -0.485677        0.2417
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    2 19:30:40       -0.400996        1.167380
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 20:22:30       -0.488825        0.2425
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    3 19:30:43       -0.119787        5.925348
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 20:22:32       -0.490271        0.2639
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    4 19:30:45       -0.424757        0.597315
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 20:22:35       -0.493029        0.1891
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    5 19:30:48       -0.436483        0.506347
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 20:22:38       -0.498000        0.3040
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    6 19:30:50       -0.458833        1.587642
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 20:22:40       -0.504578        0.3529
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    7 19:30:53       -0.472895        0.897028
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 20:22:43       -0.508230        0.2280
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    8 19:30:55       -0.496845        0.215489
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 20:22:46       -0.512494        0.1598
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:    9 19:30:58       -0.506191        0.252906
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 20:22:48       -0.513406        0.1565
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   10 19:31:00       -0.507525        0.205965
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 20:22:51       -0.513492        0.2694
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   11 19:31:03       -0.509265        0.077874
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   18 20:22:54       -0.516175        0.2843
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   12 19:31:06       -0.510856        0.120670
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   19 20:22:56       -0.518848        0.1295
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   13 19:31:08       -0.512167        0.138198
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   20 20:22:59       -0.520033        0.0615
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   14 19:31:11       -0.514204        0.112339
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   21 20:23:02       -0.520785        0.0772
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   15 19:31:13       -0.516734        0.075121
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   22 20:23:04       -0.520945        0.1041
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   16 19:31:16       -0.518593        0.053773
 </pre></div>
 </div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   23 20:23:07       -0.521059        0.0930
-</pre></div>
-</div>
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   24 20:23:10       -0.520886        0.0489
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>BFGS:   17 19:31:18       -0.518196        0.039193
 </pre></div>
 </div>
 </div>
@@ -1325,58 +1286,58 @@ <h2>Parse the trajectories and post-process<a class="headerlink" href="#parse-th
   <tbody>
     <tr>
       <th>0</th>
-      <td>3</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.523725</td>
+      <td>0</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.564535</td>
       <td>False</td>
     </tr>
     <tr>
       <th>1</th>
-      <td>4</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.511962</td>
+      <td>7</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.518196</td>
       <td>False</td>
     </tr>
     <tr>
       <th>2</th>
-      <td>1</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.565096</td>
+      <td>6</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.527963</td>
       <td>False</td>
     </tr>
     <tr>
       <th>3</th>
-      <td>7</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.520886</td>
+      <td>3</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.536189</td>
       <td>False</td>
     </tr>
     <tr>
       <th>4</th>
-      <td>2</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.532342</td>
+      <td>5</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.568040</td>
       <td>False</td>
     </tr>
     <tr>
       <th>5</th>
-      <td>6</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.519218</td>
+      <td>4</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.565843</td>
       <td>False</td>
     </tr>
     <tr>
       <th>6</th>
-      <td>0</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.567587</td>
+      <td>2</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.565764</td>
       <td>False</td>
     </tr>
     <tr>
       <th>7</th>
-      <td>5</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.528108</td>
+      <td>1</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.522901</td>
       <td>False</td>
     </tr>
   </tbody>
@@ -1493,7 +1454,7 @@ <h2>(Optional) Deduplicate structures<a class="headerlink" href="#optional-dedup
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>The lowest 5 energies are: [-0.568 -0.532 -0.528 -0.512]
+<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>The lowest 5 energies are: [-0.568 -0.536 -0.528]
 </pre></div>
 </div>
 <div class="output text_html"><div>
@@ -1523,35 +1484,27 @@ <h2>(Optional) Deduplicate structures<a class="headerlink" href="#optional-dedup
   </thead>
   <tbody>
     <tr>
-      <th>7</th>
-      <td>7</td>
-      <td>5</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.528108</td>
-      <td>False</td>
-    </tr>
-    <tr>
-      <th>1</th>
-      <td>1</td>
+      <th>4</th>
       <td>4</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.511962</td>
+      <td>5</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.568040</td>
       <td>False</td>
     </tr>
     <tr>
-      <th>6</th>
-      <td>6</td>
-      <td>0</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.567587</td>
+      <th>3</th>
+      <td>3</td>
+      <td>3</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.536189</td>
       <td>False</td>
     </tr>
     <tr>
-      <th>4</th>
-      <td>4</td>
+      <th>2</th>
       <td>2</td>
-      <td>(Atom('Cu', [1.3000465215529733, 2.25174662753...</td>
-      <td>-0.532342</td>
+      <td>6</td>
+      <td>(Atom('Cu', [-1.3000465215529715, 2.2517466275...</td>
+      <td>-0.527963</td>
       <td>False</td>
     </tr>
   </tbody>
@@ -1606,7 +1559,7 @@ <h2>Write VASP input files<a class="headerlink" href="#write-vasp-input-files" t
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -1696,8 +1649,8 @@ <h2>Write VASP input files<a class="headerlink" href="#write-vasp-input-files" t
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
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diff --git a/tutorials/advanced/advanced_toc.html b/tutorials/advanced/advanced_toc.html
index faee47401..69728956b 100644
--- a/tutorials/advanced/advanced_toc.html
+++ b/tutorials/advanced/advanced_toc.html
@@ -14,46 +14,46 @@
   
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     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
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-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
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-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
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+    <link rel="stylesheet" type="text/css" href="../../_static/sphinx-design.min.css?v=87e54e7c" />
   
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     <script src="../../_static/copybutton.js?v=f281be69"></script>
-    <script src="../../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
     <script>let toggleHintShow = 'Click to show';</script>
     <script>let toggleHintHide = 'Click to hide';</script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../../_static/design-tabs.js?v=36754332"></script>
+    <script src="../../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
 <a class="navbar-brand logo" href="../../index.html">
   
@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
     <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd class="kbd-shortcut__modifier">K</kbd></span>
@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 current active has-children"><a class="current reference internal" href="#">Advanced OCP usage</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 current active has-children"><a class="current reference internal" href="#">Advanced OCP usage</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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 </ul>
-</li>
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+</details></li>
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 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
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 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
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+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,7 +589,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -657,7 +663,7 @@ <h1>Advanced OCP usage<a class="headerlink" href="#advanced-ocp-usage" title="Li
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -685,8 +691,6 @@ <h1>Advanced OCP usage<a class="headerlink" href="#advanced-ocp-usage" title="Li
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -730,8 +734,8 @@ <h1>Advanced OCP usage<a class="headerlink" href="#advanced-ocp-usage" title="Li
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/tutorials/advanced/embeddings.html b/tutorials/advanced/embeddings.html
index 16c7a2a3b..af0457b3e 100644
--- a/tutorials/advanced/embeddings.html
+++ b/tutorials/advanced/embeddings.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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@@ -242,7 +245,7 @@
 
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 <li class="toctree-l1"><a class="reference internal" href="../cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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@@ -251,8 +254,8 @@
 
 
 </ul>
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@@ -262,8 +265,8 @@
 
 
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@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
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-</li>
+</details></li>
+</ul>
+</details></li>
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 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
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@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   <span class="fa-solid fa-bars"></span>
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 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -715,6 +721,10 @@ <h2>Bulk Cu equation of state example<a class="headerlink" href="#bulk-cu-equati
 </div>
 </div>
 <div class="cell_output docutils container">
+<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/tmp/ipykernel_3047/147314410.py:15: DeprecationWarning: Please use atoms.calc = calc
+  atoms.set_calculator(calc)
+</pre></div>
+</div>
 <img alt="../../_images/6a5800b612d2be5c9576cda60c4f84e52cbeee8ab9c16e8abc25a1c42d77bf2e.png" src="../../_images/6a5800b612d2be5c9576cda60c4f84e52cbeee8ab9c16e8abc25a1c42d77bf2e.png" />
 </div>
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@@ -1073,7 +1083,7 @@ <h1>A simple vector search example<a class="headerlink" href="#a-simple-vector-s
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
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@@ -1169,8 +1179,8 @@ <h1>A simple vector search example<a class="headerlink" href="#a-simple-vector-s
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index 30a402357..9103dda1c 100644
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+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
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+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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@@ -139,6 +140,8 @@
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@@ -154,7 +157,7 @@
 
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 current active has-children"><a class="reference internal" href="advanced_toc.html">Advanced OCP usage</a><details open="open"><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul class="current">
 <li class="toctree-l2 current active"><a class="current reference internal" href="#">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="../../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/modules/loss/index.html">core.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/preprocessing/index.html">core.preprocessing</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/scripts/index.html">core.scripts</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/hpo/index.html">core.scripts.hpo</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/make_challenge_submission_file/index.html">core.scripts.make_challenge_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/make_lmdb_sizes/index.html">core.scripts.make_lmdb_sizes</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/make_submission_file/index.html">core.scripts.make_submission_file</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/preprocess_ef/index.html">core.scripts.preprocess_ef</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/core/trainers/index.html">core.trainers</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -672,26 +678,26 @@ <h1>Fine-tuning with Python<a class="headerlink" href="#fine-tuning-with-python"
 </div>
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>id|age|user  |formula|calculator| energy|natoms| fmax|pbc| volume|charge|   mass
- 1|48m|runner|Sn2O4  |unknown   |-41.359|     6|0.045|TTT| 64.258| 0.000|301.416
- 2|48m|runner|Sn2O4  |unknown   |-41.853|     6|0.025|TTT| 66.526| 0.000|301.416
- 3|48m|runner|Sn2O4  |unknown   |-42.199|     6|0.010|TTT| 68.794| 0.000|301.416
- 4|48m|runner|Sn2O4  |unknown   |-42.419|     6|0.006|TTT| 71.062| 0.000|301.416
- 5|48m|runner|Sn2O4  |unknown   |-42.534|     6|0.011|TTT| 73.330| 0.000|301.416
- 6|48m|runner|Sn2O4  |unknown   |-42.562|     6|0.029|TTT| 75.598| 0.000|301.416
- 7|48m|runner|Sn2O4  |unknown   |-42.518|     6|0.033|TTT| 77.866| 0.000|301.416
- 8|48m|runner|Sn2O4  |unknown   |-42.415|     6|0.010|TTT| 80.134| 0.000|301.416
- 9|48m|runner|Sn2O4  |unknown   |-42.266|     6|0.006|TTT| 82.402| 0.000|301.416
-10|48m|runner|Sn2O4  |unknown   |-42.083|     6|0.017|TTT| 84.670| 0.000|301.416
-11|48m|runner|Sn4O8  |unknown   |-81.424|    12|0.012|TTT|117.473| 0.000|602.832
-12|48m|runner|Sn4O8  |unknown   |-82.437|    12|0.005|TTT|121.620| 0.000|602.832
-13|48m|runner|Sn4O8  |unknown   |-83.147|    12|0.015|TTT|125.766| 0.000|602.832
-14|48m|runner|Sn4O8  |unknown   |-83.599|    12|0.047|TTT|129.912| 0.000|602.832
-15|48m|runner|Sn4O8  |unknown   |-83.831|    12|0.081|TTT|134.058| 0.000|602.832
-16|48m|runner|Sn4O8  |unknown   |-83.898|    12|0.001|TTT|138.204| 0.000|602.832
-17|48m|runner|Sn4O8  |unknown   |-83.805|    12|0.001|TTT|142.350| 0.000|602.832
-18|48m|runner|Sn4O8  |unknown   |-83.586|    12|0.002|TTT|146.496| 0.000|602.832
-19|48m|runner|Sn4O8  |unknown   |-83.262|    12|0.002|TTT|150.642| 0.000|602.832
-20|48m|runner|Sn4O8  |unknown   |-82.851|    12|0.013|TTT|154.788| 0.000|602.832
+ 1|27m|runner|Sn2O4  |unknown   |-41.359|     6|0.045|TTT| 64.258| 0.000|301.416
+ 2|27m|runner|Sn2O4  |unknown   |-41.853|     6|0.025|TTT| 66.526| 0.000|301.416
+ 3|27m|runner|Sn2O4  |unknown   |-42.199|     6|0.010|TTT| 68.794| 0.000|301.416
+ 4|27m|runner|Sn2O4  |unknown   |-42.419|     6|0.006|TTT| 71.062| 0.000|301.416
+ 5|27m|runner|Sn2O4  |unknown   |-42.534|     6|0.011|TTT| 73.330| 0.000|301.416
+ 6|27m|runner|Sn2O4  |unknown   |-42.562|     6|0.029|TTT| 75.598| 0.000|301.416
+ 7|27m|runner|Sn2O4  |unknown   |-42.518|     6|0.033|TTT| 77.866| 0.000|301.416
+ 8|27m|runner|Sn2O4  |unknown   |-42.415|     6|0.010|TTT| 80.134| 0.000|301.416
+ 9|27m|runner|Sn2O4  |unknown   |-42.266|     6|0.006|TTT| 82.402| 0.000|301.416
+10|27m|runner|Sn2O4  |unknown   |-42.083|     6|0.017|TTT| 84.670| 0.000|301.416
+11|27m|runner|Sn4O8  |unknown   |-81.424|    12|0.012|TTT|117.473| 0.000|602.832
+12|27m|runner|Sn4O8  |unknown   |-82.437|    12|0.005|TTT|121.620| 0.000|602.832
+13|27m|runner|Sn4O8  |unknown   |-83.147|    12|0.015|TTT|125.766| 0.000|602.832
+14|27m|runner|Sn4O8  |unknown   |-83.599|    12|0.047|TTT|129.912| 0.000|602.832
+15|27m|runner|Sn4O8  |unknown   |-83.831|    12|0.081|TTT|134.058| 0.000|602.832
+16|27m|runner|Sn4O8  |unknown   |-83.898|    12|0.001|TTT|138.204| 0.000|602.832
+17|27m|runner|Sn4O8  |unknown   |-83.805|    12|0.001|TTT|142.350| 0.000|602.832
+18|27m|runner|Sn4O8  |unknown   |-83.586|    12|0.002|TTT|146.496| 0.000|602.832
+19|27m|runner|Sn4O8  |unknown   |-83.262|    12|0.002|TTT|150.642| 0.000|602.832
+20|27m|runner|Sn4O8  |unknown   |-82.851|    12|0.013|TTT|154.788| 0.000|602.832
 Rows: 295 (showing first 20)
 </pre></div>
 </div>
@@ -767,7 +773,43 @@ <h1>Setup the training code<a class="headerlink" href="#setup-the-training-code"
 </div>
 </div>
 <div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>PosixPath(&#39;/home/runner/work/fairchem/fairchem/docs/tutorials/advanced/config.yml&#39;)
+<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
+<span class="ne">KeyError</span><span class="g g-Whitespace">                                  </span>Traceback (most recent call last)
+<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span> <span class="n">line</span> <span class="mi">3</span>
+<span class="g g-Whitespace">      </span><span class="mi">1</span> <span class="kn">from</span> <span class="nn">fairchem.core.common.tutorial_utils</span> <span class="kn">import</span> <span class="n">generate_yml_config</span>
+<span class="ne">----&gt; </span><span class="mi">3</span> <span class="n">yml</span> <span class="o">=</span> <span class="n">generate_yml_config</span><span class="p">(</span><span class="n">checkpoint_path</span><span class="p">,</span> <span class="s1">&#39;config.yml&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">4</span>                    <span class="n">delete</span><span class="o">=</span><span class="p">[</span><span class="s1">&#39;slurm&#39;</span><span class="p">,</span> <span class="s1">&#39;cmd&#39;</span><span class="p">,</span> <span class="s1">&#39;logger&#39;</span><span class="p">,</span> <span class="s1">&#39;task&#39;</span><span class="p">,</span> <span class="s1">&#39;model_attributes&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">5</span>                            <span class="s1">&#39;optim.loss_force&#39;</span><span class="p">,</span> <span class="c1"># the checkpoint setting causes an error</span>
+<span class="g g-Whitespace">      </span><span class="mi">6</span>                            <span class="s1">&#39;dataset&#39;</span><span class="p">,</span> <span class="s1">&#39;test_dataset&#39;</span><span class="p">,</span> <span class="s1">&#39;val_dataset&#39;</span><span class="p">],</span>
+<span class="g g-Whitespace">      </span><span class="mi">7</span>                    <span class="n">update</span><span class="o">=</span><span class="p">{</span><span class="s1">&#39;gpus&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">8</span>                            <span class="s1">&#39;task.dataset&#39;</span><span class="p">:</span> <span class="s1">&#39;ase_db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">      </span><span class="mi">9</span>                            <span class="s1">&#39;optim.eval_every&#39;</span><span class="p">:</span> <span class="mi">10</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">10</span>                            <span class="s1">&#39;optim.max_epochs&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">11</span>                            <span class="s1">&#39;optim.batch_size&#39;</span><span class="p">:</span> <span class="mi">4</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">12</span>                            <span class="s1">&#39;logger&#39;</span><span class="p">:</span> <span class="s1">&#39;tensorboard&#39;</span><span class="p">,</span> <span class="c1"># don&#39;t use wandb unless you already are logged in</span>
+<span class="g g-Whitespace">     </span><span class="mi">13</span>                            <span class="c1"># Train data</span>
+<span class="g g-Whitespace">     </span><span class="mi">14</span>                            <span class="s1">&#39;dataset.train.src&#39;</span><span class="p">:</span> <span class="s1">&#39;train.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">15</span>                            <span class="s1">&#39;dataset.train.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">16</span>                            <span class="s1">&#39;dataset.train.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">17</span>                             <span class="c1"># Test data - prediction only so no regression</span>
+<span class="g g-Whitespace">     </span><span class="mi">18</span>                            <span class="s1">&#39;dataset.test.src&#39;</span><span class="p">:</span> <span class="s1">&#39;test.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">19</span>                            <span class="s1">&#39;dataset.test.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">20</span>                            <span class="s1">&#39;dataset.test.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">False</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">21</span>                            <span class="c1"># val data</span>
+<span class="g g-Whitespace">     </span><span class="mi">22</span>                            <span class="s1">&#39;dataset.val.src&#39;</span><span class="p">:</span> <span class="s1">&#39;val.db&#39;</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">23</span>                            <span class="s1">&#39;dataset.val.a2g_args.r_energy&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">24</span>                            <span class="s1">&#39;dataset.val.a2g_args.r_forces&#39;</span><span class="p">:</span> <span class="kc">True</span><span class="p">,</span>
+<span class="g g-Whitespace">     </span><span class="mi">25</span>                           <span class="p">})</span>
+<span class="g g-Whitespace">     </span><span class="mi">27</span> <span class="n">yml</span>
+
+<span class="nn">File ~/work/fairchem/fairchem/src/fairchem/core/common/tutorial_utils.py:178,</span> in <span class="ni">generate_yml_config</span><span class="nt">(checkpoint_path, yml, delete, update)</span>
+<span class="g g-Whitespace">    </span><span class="mi">175</span>     <span class="n">nested_set</span><span class="p">(</span><span class="n">config</span><span class="p">,</span> <span class="n">keys</span><span class="p">,</span> <span class="n">update</span><span class="p">[</span><span class="n">_key</span><span class="p">])</span>
+<span class="g g-Whitespace">    </span><span class="mi">177</span> <span class="c1"># TODO : Do not rename keys in utils.py when reading a config</span>
+<span class="ne">--&gt; </span><span class="mi">178</span> <span class="n">config</span><span class="p">[</span><span class="s2">&quot;evaluation_metrics&quot;</span><span class="p">]</span><span class="o">=</span><span class="n">config</span><span class="p">[</span><span class="s2">&quot;eval_metrics&quot;</span><span class="p">]</span>
+<span class="g g-Whitespace">    </span><span class="mi">179</span> <span class="n">config</span><span class="o">.</span><span class="n">pop</span><span class="p">(</span><span class="s2">&quot;eval_metrics&quot;</span><span class="p">)</span>
+<span class="g g-Whitespace">    </span><span class="mi">181</span> <span class="n">out</span> <span class="o">=</span> <span class="n">dump</span><span class="p">(</span><span class="n">config</span><span class="p">)</span>
+
+<span class="ne">KeyError</span>: &#39;eval_metrics&#39;
 </pre></div>
 </div>
 </div>
@@ -789,12 +831,6 @@ <h2>Setup the training task<a class="headerlink" href="#setup-the-training-task"
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>(Namespace(mode=&#39;train&#39;, config_yml=PosixPath(&#39;config.yml&#39;), identifier=&#39;&#39;, debug=False, run_dir=&#39;./&#39;, print_every=10, seed=0, amp=True, checkpoint=&#39;/tmp/ocp_checkpoints/gnoc_oc22_oc20_all_s2ef.pt&#39;, timestamp_id=None, sweep_yml=None, submit=False, summit=False, logdir=PosixPath(&#39;logs&#39;), slurm_partition=&#39;ocp&#39;, slurm_mem=80, slurm_timeout=72, num_gpus=1, distributed=False, cpu=False, num_nodes=1, distributed_port=13356, distributed_backend=&#39;nccl&#39;, local_rank=0, no_ddp=False, gp_gpus=None),
- [])
-</pre></div>
-</div>
-</div>
 </div>
 <p>Next, we build the first stage in our config. This starts with the file config.yml, then updates it with the args</p>
 <div class="cell docutils container">
@@ -806,118 +842,6 @@ <h2>Setup the training task<a class="headerlink" href="#setup-the-training-task"
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;amp&#39;: True,
- &#39;checkpoint&#39;: &#39;/tmp/ocp_checkpoints/gnoc_oc22_oc20_all_s2ef.pt&#39;,
- &#39;dataset&#39;: {&#39;test&#39;: {&#39;a2g_args&#39;: {&#39;r_energy&#39;: False, &#39;r_forces&#39;: False},
-   &#39;src&#39;: &#39;test.db&#39;},
-  &#39;train&#39;: {&#39;a2g_args&#39;: {&#39;r_energy&#39;: True, &#39;r_forces&#39;: True},
-   &#39;src&#39;: &#39;train.db&#39;},
-  &#39;val&#39;: {&#39;a2g_args&#39;: {&#39;r_energy&#39;: True, &#39;r_forces&#39;: True}, &#39;src&#39;: &#39;val.db&#39;}},
- &#39;evaluation_metrics&#39;: {&#39;metrics&#39;: {&#39;energy&#39;: [&#39;mae&#39;],
-   &#39;forces&#39;: [&#39;forcesx_mae&#39;,
-    &#39;forcesy_mae&#39;,
-    &#39;forcesz_mae&#39;,
-    &#39;mae&#39;,
-    &#39;cosine_similarity&#39;,
-    &#39;magnitude_error&#39;],
-   &#39;misc&#39;: [&#39;energy_forces_within_threshold&#39;]},
-  &#39;primary_metric&#39;: &#39;forces_mae&#39;},
- &#39;gpus&#39;: 1,
- &#39;logger&#39;: &#39;tensorboard&#39;,
- &#39;loss_fns&#39;: [{&#39;energy&#39;: {&#39;coefficient&#39;: 1, &#39;fn&#39;: &#39;mae&#39;}},
-  {&#39;forces&#39;: {&#39;coefficient&#39;: 1, &#39;fn&#39;: &#39;l2mae&#39;}}],
- &#39;model&#39;: {&#39;activation&#39;: &#39;silu&#39;,
-  &#39;atom_edge_interaction&#39;: True,
-  &#39;atom_interaction&#39;: True,
-  &#39;cbf&#39;: {&#39;name&#39;: &#39;spherical_harmonics&#39;},
-  &#39;cutoff&#39;: 12.0,
-  &#39;cutoff_aeaint&#39;: 12.0,
-  &#39;cutoff_aint&#39;: 12.0,
-  &#39;cutoff_qint&#39;: 12.0,
-  &#39;direct_forces&#39;: True,
-  &#39;edge_atom_interaction&#39;: True,
-  &#39;emb_size_aint_in&#39;: 64,
-  &#39;emb_size_aint_out&#39;: 64,
-  &#39;emb_size_atom&#39;: 256,
-  &#39;emb_size_cbf&#39;: 16,
-  &#39;emb_size_edge&#39;: 512,
-  &#39;emb_size_quad_in&#39;: 32,
-  &#39;emb_size_quad_out&#39;: 32,
-  &#39;emb_size_rbf&#39;: 16,
-  &#39;emb_size_sbf&#39;: 32,
-  &#39;emb_size_trip_in&#39;: 64,
-  &#39;emb_size_trip_out&#39;: 64,
-  &#39;envelope&#39;: {&#39;exponent&#39;: 5, &#39;name&#39;: &#39;polynomial&#39;},
-  &#39;extensive&#39;: True,
-  &#39;forces_coupled&#39;: False,
-  &#39;max_neighbors&#39;: 30,
-  &#39;max_neighbors_aeaint&#39;: 20,
-  &#39;max_neighbors_aint&#39;: 1000,
-  &#39;max_neighbors_qint&#39;: 8,
-  &#39;name&#39;: &#39;gemnet_oc&#39;,
-  &#39;num_after_skip&#39;: 2,
-  &#39;num_atom&#39;: 3,
-  &#39;num_atom_emb_layers&#39;: 2,
-  &#39;num_before_skip&#39;: 2,
-  &#39;num_blocks&#39;: 4,
-  &#39;num_concat&#39;: 1,
-  &#39;num_global_out_layers&#39;: 2,
-  &#39;num_output_afteratom&#39;: 3,
-  &#39;num_radial&#39;: 128,
-  &#39;num_spherical&#39;: 7,
-  &#39;otf_graph&#39;: True,
-  &#39;output_init&#39;: &#39;HeOrthogonal&#39;,
-  &#39;qint_tags&#39;: [1, 2],
-  &#39;quad_interaction&#39;: True,
-  &#39;rbf&#39;: {&#39;name&#39;: &#39;gaussian&#39;},
-  &#39;regress_forces&#39;: True,
-  &#39;sbf&#39;: {&#39;name&#39;: &#39;legendre_outer&#39;},
-  &#39;symmetric_edge_symmetrization&#39;: False},
- &#39;noddp&#39;: False,
- &#39;optim&#39;: {&#39;batch_size&#39;: 4,
-  &#39;clip_grad_norm&#39;: 10,
-  &#39;ema_decay&#39;: 0.999,
-  &#39;energy_coefficient&#39;: 1,
-  &#39;eval_batch_size&#39;: 16,
-  &#39;eval_every&#39;: 10,
-  &#39;factor&#39;: 0.8,
-  &#39;force_coefficient&#39;: 1,
-  &#39;load_balancing&#39;: &#39;atoms&#39;,
-  &#39;loss_energy&#39;: &#39;mae&#39;,
-  &#39;lr_initial&#39;: 0.0005,
-  &#39;max_epochs&#39;: 1,
-  &#39;mode&#39;: &#39;min&#39;,
-  &#39;num_workers&#39;: 2,
-  &#39;optimizer&#39;: &#39;AdamW&#39;,
-  &#39;optimizer_params&#39;: {&#39;amsgrad&#39;: True},
-  &#39;patience&#39;: 3,
-  &#39;scheduler&#39;: &#39;ReduceLROnPlateau&#39;,
-  &#39;weight_decay&#39;: 0},
- &#39;outputs&#39;: {&#39;energy&#39;: {&#39;level&#39;: &#39;system&#39;},
-  &#39;forces&#39;: {&#39;eval_on_free_atoms&#39;: True,
-   &#39;level&#39;: &#39;atom&#39;,
-   &#39;train_on_free_atoms&#39;: True}},
- &#39;task&#39;: {&#39;dataset&#39;: &#39;ase_db&#39;},
- &#39;trainer&#39;: &#39;ocp&#39;,
- &#39;mode&#39;: &#39;train&#39;,
- &#39;identifier&#39;: &#39;&#39;,
- &#39;timestamp_id&#39;: None,
- &#39;seed&#39;: 0,
- &#39;is_debug&#39;: False,
- &#39;run_dir&#39;: &#39;./&#39;,
- &#39;print_every&#39;: 10,
- &#39;cpu&#39;: False,
- &#39;submit&#39;: False,
- &#39;summit&#39;: False,
- &#39;local_rank&#39;: 0,
- &#39;distributed_port&#39;: 13356,
- &#39;world_size&#39;: 1,
- &#39;distributed_backend&#39;: &#39;nccl&#39;,
- &#39;gp_gpus&#39;: None}
-</pre></div>
-</div>
-</div>
 </div>
 </section>
 </section>
@@ -933,8 +857,6 @@ <h1>Run the training task<a class="headerlink" href="#run-the-training-task" tit
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output text_html"><a href='out.txt' target='_blank'>out.txt</a><br></div></div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
@@ -947,223 +869,6 @@ <h1>Run the training task<a class="headerlink" href="#run-the-training-task" tit
 </pre></div>
 </div>
 </div>
-<div class="cell_output docutils container">
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/2 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  50%|█████     | 1/2 [00:04&lt;00:04,  4.38s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:07&lt;00:00,  3.43s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:07&lt;00:00,  3.62s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/2 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  50%|█████     | 1/2 [00:02&lt;00:02,  2.99s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:05&lt;00:00,  2.84s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:05&lt;00:00,  2.93s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/2 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  50%|█████     | 1/2 [00:04&lt;00:04,  4.52s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:07&lt;00:00,  3.59s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0: 100%|██████████| 2/2 [00:07&lt;00:00,  3.81s/it]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/2 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  50%|█████     | 1/2 [00:03&lt;00:03,  3.04s/it]
-</pre></div>
-</div>
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-</pre></div>
-</div>
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-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:   0%|          | 0/2 [00:00&lt;?, ?it/s]
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
-</pre></div>
-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>device 0:  50%|█████     | 1/2 [00:04&lt;00:04,  4.24s/it]
-</pre></div>
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-</pre></div>
-</div>
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-</pre></div>
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-</pre></div>
-</div>
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-  storage = elem.storage()._new_shared(numel)
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-  storage = elem.storage()._new_shared(numel)
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-  storage = elem.storage()._new_shared(numel)
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-  storage = elem.storage()._new_shared(numel)
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-</div>
-<div class="output stderr highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
-  storage = elem.storage()._new_shared(numel)
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@@ -1172,32 +877,6 @@ <h1>Run the training task<a class="headerlink" href="#run-the-training-task" tit
 </pre></div>
 </div>
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-2024-05-17 20:24:47 (WARNING): Unrecognized arguments: [&#39;symmetric_edge_symmetrization&#39;]
-2024-05-17 20:24:49 (WARNING): Using `weight_decay` from `optim` instead of `optim.optimizer_params`.Please update your config to use `optim.optimizer_params.weight_decay`.`optim.weight_decay` will soon be deprecated.
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-<div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>2024-05-17 20:27:09 (INFO): Evaluating on val.
-2024-05-17 20:27:16 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 3.8024, forcesx_mae: 0.0167, forcesy_mae: 0.0172, forcesz_mae: 0.0171, forces_mae: 0.0170, forces_cosine_similarity: 0.0922, forces_magnitude_error: 0.0245, loss: 3.8162, epoch: 0.6780
-2024-05-17 20:27:17 (INFO): Predicting on test.
-2024-05-17 20:27:23 (INFO): Writing results to ./results/2024-05-17-20-24-32/ocp_predictions.npz
-2024-05-17 20:27:44 (INFO): energy_forces_within_threshold: 0.00e+00, energy_mae: 2.81e+00, forcesx_mae: 1.92e-02, forcesy_mae: 1.94e-02, forcesz_mae: 1.65e-02, forces_mae: 1.84e-02, forces_cosine_similarity: -5.16e-02, forces_magnitude_error: 2.26e-02, loss: 2.85e+00, lr: 5.00e-04, epoch: 8.47e-01, step: 5.00e+01
-2024-05-17 20:27:46 (INFO): Evaluating on val.
-2024-05-17 20:27:54 (INFO): energy_forces_within_threshold: 0.0000, energy_mae: 1.0708, forcesx_mae: 0.0157, forcesy_mae: 0.0132, forcesz_mae: 0.0159, forces_mae: 0.0149, forces_cosine_similarity: 0.0726, forces_magnitude_error: 0.0192, loss: 1.0924, epoch: 0.8475
-2024-05-17 20:27:54 (INFO): Predicting on test.
-2024-05-17 20:28:00 (INFO): Writing results to ./results/2024-05-17-20-24-32/ocp_predictions.npz
-2024-05-17 20:28:19 (INFO): Total time taken: 204.43983507156372
-</pre></div>
-</div>
-</div>
 </div>
 <p>Now, you are all set to carry on with what ever subsequent analysis you want to do.</p>
 </section>
@@ -1229,7 +908,7 @@ <h1>Run the training task<a class="headerlink" href="#run-the-training-task" tit
               
               
               
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-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1 current active"><a class="current reference internal" href="#">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
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 </ul>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
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-<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><input class="toctree-checkbox" id="toctree-checkbox-3" name="toctree-checkbox-3" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-3"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
-</ul>
-</li>
-</ul>
-</li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../autoapi/index.html">API Reference</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/core/index.html">core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/datasets/oc22_lmdb_dataset/index.html">core.datasets.oc22_lmdb_dataset</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/gemnet/index.html">core.models.gemnet</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/dimenet_plus_plus/index.html">core.models.dimenet_plus_plus</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/models/schnet/index.html">core.models.schnet</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/modules/index.html">core.modules</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scaling/index.html">core.modules.scaling</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/normalizer/index.html">core.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/scheduler/index.html">core.modules.scheduler</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/modules/transforms/index.html">core.modules.transforms</a></li>
+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/preprocessing/atoms_to_graphs/index.html">core.preprocessing.atoms_to_graphs</a></li>
+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/download_data/index.html">core.scripts.download_data</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/gif_maker_parallelized/index.html">core.scripts.gif_maker_parallelized</a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/preprocess_relaxed/index.html">core.scripts.preprocess_relaxed</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/scripts/uncompress/index.html">core.scripts.uncompress</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/core/tasks/index.html">core.tasks</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/tasks/task/index.html">core.tasks.task</a></li>
+</ul>
+</details></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/base_trainer/index.html">core.trainers.base_trainer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/core/trainers/ocp_trainer/index.html">core.trainers.ocp_trainer</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/core/_cli/index.html">core._cli</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/data/index.html">data</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/oc/index.html">data.oc</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/core/index.html">data.oc.core</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/databases/index.html">data.oc.databases</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/tests/index.html">data.oc.tests</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/utils/index.html">data.oc.utils</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/oc/structure_generator/index.html">data.oc.structure_generator</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
+</ul>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,14 +589,14 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -651,6 +657,10 @@ <h1>CatTSunami tutorial<a class="headerlink" href="#cattsunami-tutorial" title="
 
 <span class="c1"># Optional</span>
 <span class="c1"># from x3dase.x3d import X3D</span>
+
+<span class="c1"># Set random seed</span>
+<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
+<span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">seed</span><span class="p">(</span><span class="mi">22</span><span class="p">)</span>
 </pre></div>
 </div>
 </div>
@@ -900,7 +910,7 @@ <h2>(Optional) Visualize the results<a class="headerlink" href="#optional-visual
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -992,8 +1002,8 @@ <h2>(Optional) Visualize the results<a class="headerlink" href="#optional-visual
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>
diff --git a/tutorials/intro.html b/tutorials/intro.html
index ccf71cbfb..b6dd9b8ca 100644
--- a/tutorials/intro.html
+++ b/tutorials/intro.html
@@ -14,46 +14,46 @@
   
   <script data-cfasync="false">
     document.documentElement.dataset.mode = localStorage.getItem("mode") || "";
-    document.documentElement.dataset.theme = localStorage.getItem("theme") || "light";
+    document.documentElement.dataset.theme = localStorage.getItem("theme") || "";
   </script>
   
   <!-- Loaded before other Sphinx assets -->
-  <link href="../_static/styles/theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../_static/styles/bootstrap.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-<link href="../_static/styles/pydata-sphinx-theme.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
+  <link href="../_static/styles/theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/bootstrap.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+<link href="../_static/styles/pydata-sphinx-theme.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
 
   
-  <link href="../_static/vendor/fontawesome/6.5.1/css/all.min.css?digest=8d27b9dea8ad943066ae" rel="stylesheet" />
-  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-solid-900.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-brands-400.woff2" />
-<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.1/webfonts/fa-regular-400.woff2" />
+  <link href="../_static/vendor/fontawesome/6.5.2/css/all.min.css?digest=dfe6caa3a7d634c4db9b" rel="stylesheet" />
+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2" />
+<link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2" />
 
     <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
-    <link rel="stylesheet" type="text/css" href="../_static/styles/sphinx-book-theme.css?v=384b581d" />
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
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   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
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+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
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+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
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-          name="__secondary"
-          id="__secondary"/>
-  <label class="overlay overlay-secondary" for="__secondary"></label>
+          id="pst-secondary-sidebar-checkbox"/>
+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
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@@ -114,8 +110,13 @@
   <span class="search-button__kbd-shortcut"><kbd class="kbd-shortcut__modifier">Ctrl</kbd>+<kbd>K</kbd></span>
 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
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+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
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@@ -139,6 +140,8 @@
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+    
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@@ -154,7 +157,7 @@
 
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+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
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+<li class="toctree-l1 has-children"><a class="reference internal" href="NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
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-<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">data.om</span></code></a></li>
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+</ul>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
+</ul>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
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-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
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-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
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@@ -572,10 +578,10 @@
 
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+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
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@@ -583,14 +589,14 @@
 
 <script>
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+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
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   </button>
 `);
 </script>
-<label class="sidebar-toggle secondary-toggle btn btn-sm" for="__secondary"title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+<button class="sidebar-toggle secondary-toggle btn btn-sm" title="Toggle secondary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <span class="fa-solid fa-list"></span>
-</label>
+</button>
 </div></div>
       
     </div>
@@ -715,22 +721,22 @@ <h1>About the compute environment<a class="headerlink" href="#about-the-compute-
 <div class="cell_output docutils container">
 <div class="output stream highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>/opt/hostedtoolcache/Python/3.11.9/x64/bin/python 3.11.9 (main, May  9 2024, 14:13:20) [GCC 11.4.0]
 fairchem is installed at /home/runner/work/fairchem/fairchem/src/fairchem
-fairchem repo is at git commit: 00de11a
-numba: 0.59.1
+fairchem repo is at git commit: 3d04ca9
+numba: 0.60.0
 numpy: 1.26.4
-ase: 3.22.1
+ase: 3.23.0
 e3nn: 0.5.1
-pymatgen: 2024.5.1
+pymatgen: 2024.6.10
 torch: 2.2.0+cu121
 torch.version.cuda: 12.1
 torch.cuda: is_available: False
 torch geometric: 2.3.0
 
-Platform: Linux-6.5.0-1021-azure-x86_64-with-glibc2.35
+Platform: Linux-6.5.0-1022-azure-x86_64-with-glibc2.35
   Processor: x86_64
-  Virtual memory: svmem(total=16757354496, available=14362210304, percent=14.3, used=2006441984, free=10818260992, active=1948667904, inactive=3400306688, buffers=175796224, cached=3756855296, shared=25493504, slab=375717888)
-  Swap memory: sswap(total=4294963200, used=12656640, free=4282306560, percent=0.3, sin=45056, sout=12005376)
-  Disk usage: sdiskusage(total=77851254784, used=68595519488, free=9238958080, percent=88.1)
+  Virtual memory: svmem(total=16757346304, available=14352949248, percent=14.3, used=2002935808, free=7073415168, active=2278768640, inactive=6608220160, buffers=241418240, cached=7439577088, shared=25681920, slab=588304384)
+  Swap memory: sswap(total=4294963200, used=536576, free=4294426624, percent=0.0, sin=0, sout=49152)
+  Disk usage: sdiskusage(total=77851254784, used=66310840320, free=11523637248, percent=85.2)
 </pre></div>
 </div>
 </div>
@@ -765,7 +771,7 @@ <h1>About the compute environment<a class="headerlink" href="#about-the-compute-
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -862,8 +868,8 @@ <h1>About the compute environment<a class="headerlink" href="#about-the-compute-
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+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
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diff --git a/videos/technical_talks.html b/videos/technical_talks.html
index e3ae390b9..f85764a1e 100644
--- a/videos/technical_talks.html
+++ b/videos/technical_talks.html
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+  <link rel="preload" as="font" type="font/woff2" crossorigin href="../_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2" />
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-    <script src="../_static/scripts/sphinx-book-theme.js?v=efea14e4"></script>
+    <script src="../_static/scripts/sphinx-book-theme.js?v=887ef09a"></script>
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     <script>var togglebuttonSelector = '.toggle, .admonition.dropdown';</script>
-    <script src="../_static/design-tabs.js?v=36754332"></script>
+    <script src="../_static/design-tabs.js?v=f930bc37"></script>
     <script>const THEBE_JS_URL = "https://unpkg.com/thebe@0.8.2/lib/index.js"; const thebe_selector = ".thebe,.cell"; const thebe_selector_input = "pre"; const thebe_selector_output = ".output, .cell_output"</script>
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@@ -72,27 +72,23 @@
 
   
   
-  <a id="pst-skip-link" class="skip-link" href="#main-content">Skip to main content</a>
+  <div id="pst-skip-link" class="skip-link d-print-none"><a href="#main-content">Skip to main content</a></div>
   
   <div id="pst-scroll-pixel-helper"></div>
   
   <button type="button" class="btn rounded-pill" id="pst-back-to-top">
-    <i class="fa-solid fa-arrow-up"></i>
-    Back to top
-  </button>
+    <i class="fa-solid fa-arrow-up"></i>Back to top</button>
 
   
   <input type="checkbox"
           class="sidebar-toggle"
-          name="__primary"
-          id="__primary"/>
-  <label class="overlay overlay-primary" for="__primary"></label>
+          id="pst-primary-sidebar-checkbox"/>
+  <label class="overlay overlay-primary" for="pst-primary-sidebar-checkbox"></label>
   
   <input type="checkbox"
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+  <label class="overlay overlay-secondary" for="pst-secondary-sidebar-checkbox"></label>
   
   <div class="search-button__wrapper">
     <div class="search-button__overlay"></div>
@@ -114,8 +110,13 @@
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 </form></div>
   </div>
+
+  <div class="pst-async-banner-revealer d-none">
+  <aside id="bd-header-version-warning" class="d-none d-print-none" aria-label="Version warning"></aside>
+</div>
+
   
-    <header class="bd-header navbar navbar-expand-lg bd-navbar">
+    <header class="bd-header navbar navbar-expand-lg bd-navbar d-print-none">
     </header>
   
 
@@ -139,6 +140,8 @@
         <div class="sidebar-primary-item">
 
   
+    
+  
 
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@@ -154,7 +157,7 @@
 
  <script>
  document.write(`
-   <button class="btn navbar-btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+   <button class="btn search-button-field search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass"></i>
     <span class="search-button__default-text">Search</span>
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@@ -242,7 +245,7 @@
 
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/adsorbml_walkthrough.html">AdsorbML tutorial</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/cattsunami_walkthrough.html">CatTSunami tutorial</a></li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/NRR/NRR_toc.html">Screening catalysts with OCP</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
@@ -251,8 +254,8 @@
 
 
 </ul>
-</li>
-<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><input class="toctree-checkbox" id="toctree-checkbox-2" name="toctree-checkbox-2" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-2"><i class="fa-solid fa-chevron-down"></i></label><ul>
+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../tutorials/advanced/advanced_toc.html">Advanced OCP usage</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
 
 
@@ -262,8 +265,8 @@
 
 
 </ul>
-</li>
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+</details></li>
+<li class="toctree-l1 has-children"><a class="reference internal" href="../legacy_tutorials/legacy_tutorials.html">Legacy [deprecated] Tutorials</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/OCP_Tutorial.html">Open Catalyst Project Tutorial Notebook</a></li>
 
 
@@ -285,133 +288,136 @@
 <li class="toctree-l2"><a class="reference internal" href="../legacy_tutorials/data_visualization.html">OCP Data Visualization</a></li>
 
 </ul>
-</li>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">fairchem documentation</span></p>
 <ul class="nav bd-sidenav">
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+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/data/odac/index.html">data.odac</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/data/odac/setup_vasp/index.html">data.odac.setup_vasp</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-16" name="toctree-checkbox-16" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-16"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-17" name="toctree-checkbox-17" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-17"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.autoframe</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.ocpneb</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.core.reaction</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/data/om/index.html">data.om</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">cattsunami.databases</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html">ocpapi</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html">ocpapi.client</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html">ocpapi.client.client</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/models/index.html">ocpapi.client.models</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html">ocpapi.client.ui</a></li>
 </ul>
-</li>
-<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/ocpapi/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-18" name="toctree-checkbox-18" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-18"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-19" name="toctree-checkbox-19" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-19"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/client/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.client</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/client/ui/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.client.ui</span></code></a></li>
+</details></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html">ocpapi.workflows</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html">ocpapi.workflows.adsorbates</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html">ocpapi.workflows.context</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html">ocpapi.workflows.filter</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/log/index.html">ocpapi.workflows.log</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html">ocpapi.workflows.retry</a></li>
 </ul>
-</li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/ocpapi/workflows/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-20" name="toctree-checkbox-20" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-20"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/adsorbates/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.adsorbates</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/context/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.context</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/filter/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.filter</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpapi/workflows/retry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.workflows.retry</span></code></a></li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html">ocpapi.version</a></li>
 </ul>
-</li>
-<li class="toctree-l3"><a class="reference internal" href="../autoapi/ocpapi/version/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpapi.version</span></code></a></li>
+</details></li>
+<li class="toctree-l2 has-children"><a class="reference internal" href="../autoapi/cattsunami/index.html">cattsunami</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../autoapi/cattsunami/core/index.html">cattsunami.core</a><details><summary><span class="toctree-toggle" role="presentation"><i class="fa-solid fa-chevron-down"></i></span></summary><ul>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/autoframe/index.html">cattsunami.core.autoframe</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/ocpneb/index.html">cattsunami.core.ocpneb</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/cattsunami/core/reaction/index.html">cattsunami.core.reaction</a></li>
 </ul>
-</li>
+</details></li>
+<li class="toctree-l3"><a class="reference internal" href="../autoapi/cattsunami/databases/index.html">cattsunami.databases</a></li>
 </ul>
-</li>
+</details></li>
+</ul>
+</details></li>
 </ul>
 <p aria-level="2" class="caption" role="heading"><span class="caption-text">Notebook execution times</span></p>
 <ul class="nav bd-sidenav">
@@ -431,7 +437,7 @@
 
       </div>
       
-      <main id="main-content" class="bd-main">
+      <main id="main-content" class="bd-main" role="main">
         
         
 
@@ -440,14 +446,14 @@
           <div class="bd-content">
             <div class="bd-article-container">
               
-              <div class="bd-header-article">
+              <div class="bd-header-article d-print-none">
 <div class="header-article-items header-article__inner">
   
     <div class="header-article-items__start">
       
-        <div class="header-article-item"><label class="sidebar-toggle primary-toggle btn btn-sm" for="__primary" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
+        <div class="header-article-item"><button class="sidebar-toggle primary-toggle btn btn-sm" title="Toggle primary sidebar" data-bs-placement="bottom" data-bs-toggle="tooltip">
   <span class="fa-solid fa-bars"></span>
-</label></div>
+</button></div>
       
     </div>
   
@@ -572,10 +578,10 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
-    <span class="theme-switch nav-link" data-mode="light"><i class="fa-solid fa-sun fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="dark"><i class="fa-solid fa-moon fa-lg"></i></span>
-    <span class="theme-switch nav-link" data-mode="auto"><i class="fa-solid fa-circle-half-stroke fa-lg"></i></span>
+  <button class="btn btn-sm nav-link pst-navbar-icon theme-switch-button" title="light/dark" aria-label="light/dark" data-bs-placement="bottom" data-bs-toggle="tooltip">
+    <i class="theme-switch fa-solid fa-sun fa-lg" data-mode="light"></i>
+    <i class="theme-switch fa-solid fa-moon fa-lg" data-mode="dark"></i>
+    <i class="theme-switch fa-solid fa-circle-half-stroke fa-lg" data-mode="auto"></i>
   </button>
 `);
 </script>
@@ -583,7 +589,7 @@
 
 <script>
 document.write(`
-  <button class="btn btn-sm navbar-btn search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
+  <button class="btn btn-sm pst-navbar-icon search-button search-button__button" title="Search" aria-label="Search" data-bs-placement="bottom" data-bs-toggle="tooltip">
     <i class="fa-solid fa-magnifying-glass fa-lg"></i>
   </button>
 `);
@@ -647,7 +653,7 @@ <h1>Technical presentations<a class="headerlink" href="#technical-presentations"
               
               
               
-                <footer class="prev-next-footer">
+                <footer class="prev-next-footer d-print-none">
                   
 <div class="prev-next-area">
     <a class="left-prev"
@@ -675,8 +681,6 @@ <h1>Technical presentations<a class="headerlink" href="#technical-presentations"
             
             
               
-                <div class="bd-sidebar-secondary bd-toc"></div>
-              
             
           </div>
           <footer class="bd-footer-content">
@@ -720,8 +724,8 @@ <h1>Technical presentations<a class="headerlink" href="#technical-presentations"
   </div>
   
   <!-- Scripts loaded after <body> so the DOM is not blocked -->
-  <script src="../_static/scripts/bootstrap.js?digest=8d27b9dea8ad943066ae"></script>
-<script src="../_static/scripts/pydata-sphinx-theme.js?digest=8d27b9dea8ad943066ae"></script>
+  <script src="../_static/scripts/bootstrap.js?digest=dfe6caa3a7d634c4db9b"></script>
+<script src="../_static/scripts/pydata-sphinx-theme.js?digest=dfe6caa3a7d634c4db9b"></script>
 
   <footer class="bd-footer">
   </footer>