diff --git a/.buildinfo b/.buildinfo new file mode 100644 index 000000000..6e2cc1954 --- /dev/null +++ b/.buildinfo @@ -0,0 +1,4 @@ +# Sphinx build info version 1 +# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. +config: b1ab690d4f62a559d02cd8532e453ec4 +tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/.nojekyll b/.nojekyll new file mode 100644 index 000000000..e69de29bb diff --git a/_autosummary/ocpmodels.common.distutils.html b/_autosummary/ocpmodels.common.distutils.html new file mode 100644 index 000000000..2ddb469a6 --- /dev/null +++ b/_autosummary/ocpmodels.common.distutils.html @@ -0,0 +1,634 @@ + + + + + + + + + + + ocpmodels.common.distutils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.common.distutils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.distutils#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

all_gather(data[, group, device])

all_reduce(data[, group, average, device])

broadcast(tensor, src[, group, async_op])

cleanup()

get_rank()

get_world_size()

initialized()

is_master()

os_environ_get_or_throw(x)

setup(config)

synchronize()

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.flags.html b/_autosummary/ocpmodels.common.flags.html new file mode 100644 index 000000000..89fe9c4c3 --- /dev/null +++ b/_autosummary/ocpmodels.common.flags.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.common.flags — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.common.flags

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.flags#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + +

Flags()

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.gp_utils.html b/_autosummary/ocpmodels.common.gp_utils.html new file mode 100644 index 000000000..c9e8b7243 --- /dev/null +++ b/_autosummary/ocpmodels.common.gp_utils.html @@ -0,0 +1,669 @@ + + + + + + + + + + + ocpmodels.common.gp_utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.common.gp_utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.gp_utils#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

cleanup_gp()

copy_to_model_parallel_region(input)

divide_and_check_no_remainder(a, b)

ensure_div(a, b)

gather_from_model_parallel_region(input[, dim])

get_dp_group()

get_dp_rank()

get_dp_world_size()

get_gp_group()

get_gp_rank()

get_gp_world_size()

initialized()

pad_tensor(tensor[, dim, target_size])

reduce_from_model_parallel_region(input)

scatter_to_model_parallel_region(input[, dim])

setup_gp(config)

trim_tensor(tensor[, sizes, dim])

+

Classes

+ + + + + + + + + + + + + + + +

CopyToModelParallelRegion(*args, **kwargs)

GatherFromModelParallelRegion(*args, **kwargs)

ReduceFromModelParallelRegion(*args, **kwargs)

ScatterToModelParallelRegion(*args, **kwargs)

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.html b/_autosummary/ocpmodels.common.html new file mode 100644 index 000000000..8a68f665e --- /dev/null +++ b/_autosummary/ocpmodels.common.html @@ -0,0 +1,619 @@ + + + + + + + + + + + ocpmodels.common — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + +
+ + + + + + +
+ + +
+ + + + + + + + + + + + + +
+ +
+ +
+
+ + + +
+

ocpmodels.common

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Modules

+ + + + + + + + + + + + + + + + + + + + + +

ocpmodels.common.distutils

Copyright (c) Facebook, Inc.

ocpmodels.common.flags

Copyright (c) Facebook, Inc.

ocpmodels.common.gp_utils

Copyright (c) Facebook, Inc.

ocpmodels.common.registry

Copyright (c) Facebook, Inc.

ocpmodels.common.relaxation

ocpmodels.common.typing

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.registry.html b/_autosummary/ocpmodels.common.registry.html new file mode 100644 index 000000000..e99d2ffe1 --- /dev/null +++ b/_autosummary/ocpmodels.common.registry.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.common.registry — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.common.registry

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.registry#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + +

Registry()

Class for registry object which acts as central source of truth.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.relaxation.html b/_autosummary/ocpmodels.common.relaxation.html new file mode 100644 index 000000000..86735a46c --- /dev/null +++ b/_autosummary/ocpmodels.common.relaxation.html @@ -0,0 +1,601 @@ + + + + + + + + + + + ocpmodels.common.relaxation — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.common.relaxation

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.relaxation#

+

Modules

+ + + + + + +

ocpmodels.common.relaxation.optimizers

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.relaxation.optimizers.html b/_autosummary/ocpmodels.common.relaxation.optimizers.html new file mode 100644 index 000000000..f854e653c --- /dev/null +++ b/_autosummary/ocpmodels.common.relaxation.optimizers.html @@ -0,0 +1,598 @@ + + + + + + + + + + + ocpmodels.common.relaxation.optimizers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.common.relaxation.optimizers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.relaxation.optimizers#

+

Modules

+ + + +
+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.common.typing.html b/_autosummary/ocpmodels.common.typing.html new file mode 100644 index 000000000..5b74f6a46 --- /dev/null +++ b/_autosummary/ocpmodels.common.typing.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.common.typing — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.common.typing

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.common.typing#

+

Functions

+ + + + + + + + + +

assert_is_instance(obj, cls)

none_throws(x[, msg])

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.html b/_autosummary/ocpmodels.html new file mode 100644 index 000000000..1128c5cd3 --- /dev/null +++ b/_autosummary/ocpmodels.html @@ -0,0 +1,610 @@ + + + + + + + + + + + ocpmodels — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + +
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+ +
+ +
+
+ + + +
+

ocpmodels

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Modules

+ + + + + + + + + + + + +

ocpmodels.common

Copyright (c) Facebook, Inc.

ocpmodels.models

ocpmodels.modules

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.html b/_autosummary/ocpmodels.models.gemnet.html new file mode 100644 index 000000000..bcd965fed --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+
+ + + +
+

ocpmodels.models.gemnet

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet#

+

Modules

+ + + + + + + + + + + + +

ocpmodels.models.gemnet.initializers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet.layers

ocpmodels.models.gemnet.utils

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.initializers.html b/_autosummary/ocpmodels.models.gemnet.initializers.html new file mode 100644 index 000000000..8926bab3b --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.initializers.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.models.gemnet.initializers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+
+ + + +
+

ocpmodels.models.gemnet.initializers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.initializers#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + +

he_orthogonal_init(tensor)

Generate a weight matrix with variance according to He (Kaiming) initialization.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html b/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html new file mode 100644 index 000000000..2bf0bc8cc --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers.atom_update_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.models.gemnet.layers.atom_update_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers.atom_update_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

AtomUpdateBlock(emb_size_atom, ...[, ...])

Aggregate the message embeddings of the atoms

OutputBlock(emb_size_atom, emb_size_edge, ...)

Combines the atom update block and subsequent final dense layer.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html new file mode 100644 index 000000000..6906cdde1 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers.base_layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.models.gemnet.layers.base_layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers.base_layers#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + + + + +

Dense(in_features, out_features[, bias, ...])

Combines dense layer with scaling for swish activation.

ResidualLayer(units, nLayers[, layer])

Residual block with output scaled by 1/sqrt(2).

ScaledSiLU()

SiQU()

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet.layers.efficient.html new file mode 100644 index 000000000..7c82b7167 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.efficient.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers.efficient — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.models.gemnet.layers.efficient

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers.efficient#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

EfficientInteractionBilinear(emb_size, ...)

Efficient reformulation of the bilinear layer and subsequent summation.

EfficientInteractionDownProjection(...)

Down projection in the efficient reformulation.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html new file mode 100644 index 000000000..eee11ba43 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers.embedding_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.models.gemnet.layers.embedding_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers.embedding_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

AtomEmbedding(emb_size, num_elements)

Initial atom embeddings based on the atom type

EdgeEmbedding(atom_features, edge_features, ...)

Edge embedding based on the concatenation of atom embeddings and subsequent dense layer.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.html b/_autosummary/ocpmodels.models.gemnet.layers.html new file mode 100644 index 000000000..957536877 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.models.gemnet.layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers#

+

Modules

+ + + + + + + + + + + + + + + + + + +

ocpmodels.models.gemnet.layers.atom_update_block

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet.layers.base_layers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet.layers.efficient

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet.layers.embedding_block

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet.layers.interaction_block

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html b/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html new file mode 100644 index 000000000..bbe07fd98 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet.layers.interaction_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.models.gemnet.layers.interaction_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.layers.interaction_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

InteractionBlockTripletsOnly(emb_size_atom, ...)

Interaction block for GemNet-T/dT.

TripletInteraction(emb_size_edge, ...[, ...])

Triplet-based message passing block.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet.utils.html b/_autosummary/ocpmodels.models.gemnet.utils.html new file mode 100644 index 000000000..b7f2e5e6c --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet.utils.html @@ -0,0 +1,628 @@ + + + + + + + + + + + ocpmodels.models.gemnet.utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
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+ + + +
+

ocpmodels.models.gemnet.utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet.utils#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

calculate_interatomic_vectors(R, id_s, id_t, ...)

Calculate the vectors connecting the given atom pairs, considering offsets from periodic boundary conditions (PBC).

inner_product_normalized(x, y)

Calculate the inner product between the given normalized vectors, giving a result between -1 and 1.

mask_neighbors(neighbors, edge_mask)

ragged_range(sizes)

Multiple concatenated ranges.

read_json(path)

read_value_json(path, key)

repeat_blocks(sizes, repeats[, ...])

Repeat blocks of indices.

update_json(path, data)

write_json(path, data)

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.html b/_autosummary/ocpmodels.models.gemnet_gp.html new file mode 100644 index 000000000..f0c58dca5 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.models.gemnet_gp

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp#

+

Modules

+ + + + + + + + + + + + +

ocpmodels.models.gemnet_gp.initializers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_gp.layers

ocpmodels.models.gemnet_gp.utils

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.initializers.html b/_autosummary/ocpmodels.models.gemnet_gp.initializers.html new file mode 100644 index 000000000..f8ce18bed --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.initializers.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.initializers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.models.gemnet_gp.initializers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.initializers#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + +

he_orthogonal_init(tensor)

Generate a weight matrix with variance according to He (Kaiming) initialization.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html new file mode 100644 index 000000000..08bb0de37 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html @@ -0,0 +1,615 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers.atom_update_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_gp.layers.atom_update_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers.atom_update_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + +

scatter_sum(src, index[, dim, out, dim_size])

Clone of torch_scatter.scatter_sum but without in-place operations

+

Classes

+ + + + + + + + + +

AtomUpdateBlock(emb_size_atom, ...[, ...])

Aggregate the message embeddings of the atoms

OutputBlock(emb_size_atom, emb_size_edge, ...)

Combines the atom update block and subsequent final dense layer.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html new file mode 100644 index 000000000..29a9ac1e4 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers.base_layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.models.gemnet_gp.layers.base_layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers.base_layers#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + + + + +

Dense(num_in_features, num_out_features[, ...])

Combines dense layer with scaling for swish activation.

ResidualLayer(units, nLayers[, layer])

Residual block with output scaled by 1/sqrt(2).

ScaledSiLU()

SiQU()

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html new file mode 100644 index 000000000..6aa0fda24 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers.efficient — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.models.gemnet_gp.layers.efficient

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers.efficient#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

EfficientInteractionBilinear(emb_size, ...)

Efficient reformulation of the bilinear layer and subsequent summation.

EfficientInteractionDownProjection(...)

Down projection in the efficient reformulation.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html new file mode 100644 index 000000000..136c46212 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers.embedding_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.models.gemnet_gp.layers.embedding_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers.embedding_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

AtomEmbedding(emb_size)

Initial atom embeddings based on the atom type

EdgeEmbedding(atom_features, edge_features, ...)

Edge embedding based on the concatenation of atom embeddings and subsequent dense layer.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.html new file mode 100644 index 000000000..f8aa80df3 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_gp.layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers#

+

Modules

+ + + + + + + + + + + + + + + + + + +

ocpmodels.models.gemnet_gp.layers.atom_update_block

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_gp.layers.base_layers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_gp.layers.efficient

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_gp.layers.embedding_block

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_gp.layers.interaction_block

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html new file mode 100644 index 000000000..d4133e06b --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.layers.interaction_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_gp.layers.interaction_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.layers.interaction_block#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

InteractionBlockTripletsOnly(emb_size_atom, ...)

Interaction block for GemNet-T/dT.

TripletInteraction(emb_size_edge, ...[, ...])

Triplet-based message passing block.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_gp.utils.html b/_autosummary/ocpmodels.models.gemnet_gp.utils.html new file mode 100644 index 000000000..e7d330b55 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_gp.utils.html @@ -0,0 +1,628 @@ + + + + + + + + + + + ocpmodels.models.gemnet_gp.utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.models.gemnet_gp.utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_gp.utils#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

calculate_interatomic_vectors(R, id_s, id_t, ...)

Calculate the vectors connecting the given atom pairs, considering offsets from periodic boundary conditions (PBC).

inner_product_normalized(x, y)

Calculate the inner product between the given normalized vectors, giving a result between -1 and 1.

mask_neighbors(neighbors, edge_mask)

ragged_range(sizes)

Multiple concatenated ranges.

read_json(path)

read_value_json(path, key)

repeat_blocks(sizes, repeats[, ...])

Repeat blocks of indices.

update_json(path, data)

write_json(path, data)

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.html b/_autosummary/ocpmodels.models.gemnet_oc.html new file mode 100644 index 000000000..4559d4aa8 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.html @@ -0,0 +1,610 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.models.gemnet_oc

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc#

+

Modules

+ + + + + + + + + + + + + + + +

ocpmodels.models.gemnet_oc.initializers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.interaction_indices

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.layers

ocpmodels.models.gemnet_oc.utils

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.initializers.html b/_autosummary/ocpmodels.models.gemnet_oc.initializers.html new file mode 100644 index 000000000..0c567bf39 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.initializers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.initializers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.initializers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.initializers#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + +

get_initializer(name, **init_kwargs)

grid_init(tensor[, start, end])

Generate a weight matrix so that each input value corresponds to one value on a regular grid between start and end.

he_orthogonal_init(tensor)

Generate a weight matrix with variance according to He (Kaiming) initialization.

log_grid_init(tensor[, start, end])

Generate a weight matrix so that each input value corresponds to one value on a regular logarithmic grid between 10^start and 10^end.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html b/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html new file mode 100644 index 000000000..49085f019 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html @@ -0,0 +1,610 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.interaction_indices — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.interaction_indices

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.interaction_indices#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + +

get_mixed_triplets(graph_in, graph_out, ...)

Get all output edges (ingoing or outgoing) for each incoming edge.

get_quadruplets(main_graph, qint_graph, ...)

Get all d->b for each edge c->a and connection b->a Careful about periodic images! Separate interaction cutoff not supported.

get_triplets(graph, num_atoms)

Get all input edges b->a for each output edge c->a.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html new file mode 100644 index 000000000..7ac313040 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html @@ -0,0 +1,610 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers.base_layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.models.gemnet_oc.layers.base_layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers.base_layers#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + +

Dense(in_features, out_features[, bias, ...])

Combines dense layer with scaling for silu activation.

ResidualLayer(units, nLayers[, layer])

Residual block with output scaled by 1/sqrt(2).

ScaledSiLU()

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html new file mode 100644 index 000000000..179924b66 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers.efficient — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.layers.efficient

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers.efficient#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

BasisEmbedding(num_radial, emb_size_interm)

Embed a basis (CBF, SBF), optionally using the efficient reformulation.

EfficientInteractionBilinear(emb_size_in, ...)

Efficient reformulation of the bilinear layer and subsequent summation.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html new file mode 100644 index 000000000..493cbbf4f --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers.embedding_block — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.layers.embedding_block

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers.embedding_block#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + +

AtomEmbedding(emb_size, num_elements)

Initial atom embeddings based on the atom type

EdgeEmbedding(atom_features, edge_features, ...)

Edge embedding based on the concatenation of atom embeddings and a subsequent dense layer.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html new file mode 100644 index 000000000..ba6383a0e --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers.force_scaler — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.layers.force_scaler

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers.force_scaler#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + +

ForceScaler([init_scale, growth_factor, ...])

Scales up the energy and then scales down the forces to prevent NaNs and infs in calculations using AMP.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.html new file mode 100644 index 000000000..cd82bb08b --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.layers

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers#

+

Modules

+ + + + + + + + + + + + + + + + + + +

ocpmodels.models.gemnet_oc.layers.base_layers

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.layers.efficient

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.layers.embedding_block

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.layers.force_scaler

Copyright (c) Facebook, Inc.

ocpmodels.models.gemnet_oc.layers.radial_basis

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html new file mode 100644 index 000000000..b5173c5f2 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html @@ -0,0 +1,624 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.layers.radial_basis — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.layers.radial_basis

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.layers.radial_basis#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + + + + + + + + + + +

BernsteinBasis(num_radial[, pregamma_initial])

Bernstein polynomial basis, as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.

ExponentialEnvelope()

Exponential envelope function that ensures a smooth cutoff, as proposed in Unke, Chmiela, Gastegger, Schütt, Sauceda, Müller 2021.

GaussianBasis([start, stop, num_gaussians, ...])

PolynomialEnvelope(exponent)

Polynomial envelope function that ensures a smooth cutoff.

RadialBasis(num_radial, cutoff[, rbf, ...])

+
param num_radial:
+

Number of basis functions. Controls the maximum frequency.

+
+
+

SphericalBesselBasis(num_radial, cutoff)

First-order spherical Bessel basis

+
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+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.gemnet_oc.utils.html b/_autosummary/ocpmodels.models.gemnet_oc.utils.html new file mode 100644 index 000000000..fd2602101 --- /dev/null +++ b/_autosummary/ocpmodels.models.gemnet_oc.utils.html @@ -0,0 +1,637 @@ + + + + + + + + + + + ocpmodels.models.gemnet_oc.utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.gemnet_oc.utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.gemnet_oc.utils#

+

Copyright (c) Facebook, Inc. and its affiliates. +This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

calculate_interatomic_vectors(R, id_s, id_t, ...)

Calculate the vectors connecting the given atom pairs, considering offsets from periodic boundary conditions (PBC).

get_angle(R_ac, R_ab)

Calculate angles between atoms c -> a <- b.

get_edge_id(edge_idx, cell_offsets, num_atoms)

get_inner_idx(idx, dim_size)

Assign an inner index to each element (neighbor) with the same index.

get_neighbor_order(num_atoms, index, ...)

Give a mask that filters out edges so that each atom has at most max_num_neighbors_threshold neighbors.

get_projected_angle(R_ab, P_n[, eps])

Project the vector R_ab onto a plane with normal vector P_n, then calculate the angle w.r.t.

inner_product_clamped(x, y)

Calculate the inner product between the given normalized vectors, giving a result between -1 and 1.

mask_neighbors(neighbors, edge_mask)

masked_select_sparsetensor_flat(src, mask)

ragged_range(sizes)

Multiple concatenated ranges.

repeat_blocks(sizes, repeats[, ...])

Repeat blocks of indices.

vector_rejection(R_ab, P_n)

Project the vector R_ab onto a plane with normal vector P_n.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.html b/_autosummary/ocpmodels.models.html new file mode 100644 index 000000000..84a4f0be0 --- /dev/null +++ b/_autosummary/ocpmodels.models.html @@ -0,0 +1,616 @@ + + + + + + + + + + + ocpmodels.models — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models#

+

Modules

+ + + + + + + + + + + + + + + + + + + + + +

ocpmodels.models.gemnet

ocpmodels.models.gemnet_gp

ocpmodels.models.gemnet_oc

ocpmodels.models.painn

ocpmodels.models.scn

ocpmodels.models.utils

+
+ + + + +
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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.painn.html b/_autosummary/ocpmodels.models.painn.html new file mode 100644 index 000000000..ea9650cd8 --- /dev/null +++ b/_autosummary/ocpmodels.models.painn.html @@ -0,0 +1,601 @@ + + + + + + + + + + + ocpmodels.models.painn — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.painn

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.painn#

+

Modules

+ + + + + + +

ocpmodels.models.painn.utils

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.painn.utils.html b/_autosummary/ocpmodels.models.painn.utils.html new file mode 100644 index 000000000..56a28f486 --- /dev/null +++ b/_autosummary/ocpmodels.models.painn.utils.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.painn.utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.models.painn.utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.painn.utils#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + +

get_edge_id(edge_idx, cell_offsets, num_atoms)

repeat_blocks(sizes, repeats[, ...])

Repeat blocks of indices.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.scn.html b/_autosummary/ocpmodels.models.scn.html new file mode 100644 index 000000000..a29e77dad --- /dev/null +++ b/_autosummary/ocpmodels.models.scn.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.scn — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.scn

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.scn#

+

Modules

+ + + + + + + + + + + + +

ocpmodels.models.scn.sampling

Copyright (c) Facebook, Inc.

ocpmodels.models.scn.smearing

Copyright (c) Facebook, Inc.

ocpmodels.models.scn.spherical_harmonics

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.scn.sampling.html b/_autosummary/ocpmodels.models.scn.sampling.html new file mode 100644 index 000000000..db45f5996 --- /dev/null +++ b/_autosummary/ocpmodels.models.scn.sampling.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.models.scn.sampling — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.scn.sampling

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.scn.sampling#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + +

CalcSpherePoints(num_points[, device])

CalcSpherePointsRandom(num_points, device)

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
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+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.scn.smearing.html b/_autosummary/ocpmodels.models.scn.smearing.html new file mode 100644 index 000000000..14801ffa6 --- /dev/null +++ b/_autosummary/ocpmodels.models.scn.smearing.html @@ -0,0 +1,613 @@ + + + + + + + + + + + ocpmodels.models.scn.smearing — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.models.scn.smearing

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.scn.smearing#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + + + + +

GaussianSmearing([start, stop, ...])

LinearSigmoidSmearing([start, stop, ...])

SiLUSmearing([start, stop, num_output, ...])

SigmoidSmearing([start, stop, num_sigmoid, ...])

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.scn.spherical_harmonics.html b/_autosummary/ocpmodels.models.scn.spherical_harmonics.html new file mode 100644 index 000000000..28fd58b6f --- /dev/null +++ b/_autosummary/ocpmodels.models.scn.spherical_harmonics.html @@ -0,0 +1,612 @@ + + + + + + + + + + + ocpmodels.models.scn.spherical_harmonics — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+ +
+
+ + + +
+

ocpmodels.models.scn.spherical_harmonics

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.scn.spherical_harmonics#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + +

wigner_D(l, alpha, beta, gamma)

+

Classes

+ + + + + + +

SphericalHarmonicsHelper(lmax, mmax, ...)

Helper functions for spherical harmonics calculations and representations

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.utils.activations.html b/_autosummary/ocpmodels.models.utils.activations.html new file mode 100644 index 000000000..eacfea646 --- /dev/null +++ b/_autosummary/ocpmodels.models.utils.activations.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.models.utils.activations — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
+
+ + + +
+

ocpmodels.models.utils.activations

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.utils.activations#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + +

Act(act[, slope])

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.utils.basis.html b/_autosummary/ocpmodels.models.utils.basis.html new file mode 100644 index 000000000..638858194 --- /dev/null +++ b/_autosummary/ocpmodels.models.utils.basis.html @@ -0,0 +1,622 @@ + + + + + + + + + + + ocpmodels.models.utils.basis — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+

ocpmodels.models.utils.basis

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.utils.basis#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

+ + + + + + + + + + + + + + + + + + + + + + + + +

Basis(num_in_features[, num_freqs, ...])

FourierSmearing(num_in_features[, ...])

GaussianSmearing(num_in_features[, start, ...])

SINESmearing(num_in_features[, num_freqs, ...])

SIREN(layers, num_in_features, out_features)

Sine([w0])

SphericalSmearing([max_n, option])

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.models.utils.html b/_autosummary/ocpmodels.models.utils.html new file mode 100644 index 000000000..cea7ffe60 --- /dev/null +++ b/_autosummary/ocpmodels.models.utils.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.models.utils — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ +
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+ + + +
+

ocpmodels.models.utils

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.models.utils#

+

Modules

+ + + + + + + + + +

ocpmodels.models.utils.activations

Copyright (c) Facebook, Inc.

ocpmodels.models.utils.basis

Copyright (c) Facebook, Inc.

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
+
+
+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.evaluator.html b/_autosummary/ocpmodels.modules.evaluator.html new file mode 100644 index 000000000..2f5d32558 --- /dev/null +++ b/_autosummary/ocpmodels.modules.evaluator.html @@ -0,0 +1,651 @@ + + + + + + + + + + + ocpmodels.modules.evaluator — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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+ + + +
+

ocpmodels.modules.evaluator

+ +
+
+ +
+
+
+ + + + +
+ +
+

ocpmodels.modules.evaluator#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Functions

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

average_distance_within_threshold(...[, key])

cosine_similarity(prediction, target[, key])

energy_forces_within_threshold(prediction, ...)

energy_within_threshold(prediction, target)

forcesx_mae(prediction, target[, key])

forcesx_mse(prediction, target[, key])

forcesy_mae(prediction, target[, key])

forcesy_mse(prediction, target[, key])

forcesz_mae(prediction, target[, key])

forcesz_mse(prediction, target[, key])

mae(prediction, target[, key])

magnitude_error(prediction, target[, key, p])

min_diff(pred_pos, dft_pos, cell, pbc)

mse(prediction, target[, key])

+

Classes

+ + + + + + +

Evaluator([task, eval_metrics])

+
+ + + + +
+ + + + + + + + +
+ + + +
+ + +
+ + + +
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ocpmodels.modules.exponential_moving_average

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+

ocpmodels.modules.exponential_moving_average#

+

Copied (and improved) from: +fadel/pytorch_ema (MIT license)

+

Classes

+ + + + + + +

ExponentialMovingAverage(parameters, decay)

Maintains (exponential) moving average of a set of parameters.

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.html b/_autosummary/ocpmodels.modules.html new file mode 100644 index 000000000..be9238de4 --- /dev/null +++ b/_autosummary/ocpmodels.modules.html @@ -0,0 +1,616 @@ + + + + + + + + + + + ocpmodels.modules — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules

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ocpmodels.modules#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Modules

+ + + + + + + + + + + + + + + + + + +

ocpmodels.modules.evaluator

Copyright (c) Facebook, Inc.

ocpmodels.modules.exponential_moving_average

Copied (and improved) from: fadel/pytorch_ema (MIT license)

ocpmodels.modules.loss

ocpmodels.modules.normalizer

Copyright (c) Facebook, Inc.

ocpmodels.modules.scaling

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ocpmodels.modules.loss

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ocpmodels.modules.loss#

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Classes

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AtomwiseL2Loss([reduction])

DDPLoss(loss_fn[, loss_name, reduction])

L2MAELoss([reduction])

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.normalizer.html b/_autosummary/ocpmodels.modules.normalizer.html new file mode 100644 index 000000000..776d9fd29 --- /dev/null +++ b/_autosummary/ocpmodels.modules.normalizer.html @@ -0,0 +1,604 @@ + + + + + + + + + + + ocpmodels.modules.normalizer — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules.normalizer

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+

ocpmodels.modules.normalizer#

+

Copyright (c) Facebook, Inc. and its affiliates.

+

This source code is licensed under the MIT license found in the +LICENSE file in the root directory of this source tree.

+

Classes

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Normalizer([tensor, mean, std, device])

Normalize a Tensor and restore it later.

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.scaling.compat.html b/_autosummary/ocpmodels.modules.scaling.compat.html new file mode 100644 index 000000000..fa0372406 --- /dev/null +++ b/_autosummary/ocpmodels.modules.scaling.compat.html @@ -0,0 +1,601 @@ + + + + + + + + + + + ocpmodels.modules.scaling.compat — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules.scaling.compat

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ocpmodels.modules.scaling.compat#

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Functions

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load_scales_compat(module, scale_file)

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.scaling.html b/_autosummary/ocpmodels.modules.scaling.html new file mode 100644 index 000000000..d383fd88e --- /dev/null +++ b/_autosummary/ocpmodels.modules.scaling.html @@ -0,0 +1,607 @@ + + + + + + + + + + + ocpmodels.modules.scaling — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules.scaling

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.scaling.scale_factor.html b/_autosummary/ocpmodels.modules.scaling.scale_factor.html new file mode 100644 index 000000000..7e8c2725e --- /dev/null +++ b/_autosummary/ocpmodels.modules.scaling.scale_factor.html @@ -0,0 +1,601 @@ + + + + + + + + + + + ocpmodels.modules.scaling.scale_factor — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules.scaling.scale_factor

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ocpmodels.modules.scaling.scale_factor#

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Classes

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ScaleFactor([name, enforce_consistency])

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+ + + + + + + + \ No newline at end of file diff --git a/_autosummary/ocpmodels.modules.scaling.util.html b/_autosummary/ocpmodels.modules.scaling.util.html new file mode 100644 index 000000000..d976455e7 --- /dev/null +++ b/_autosummary/ocpmodels.modules.scaling.util.html @@ -0,0 +1,591 @@ + + + + + + + + + + + ocpmodels.modules.scaling.util — Open Catalyst Project Documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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ocpmodels.modules.scaling.util

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ocpmodels.modules.scaling.util#

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Functions

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ensure_fitted(module[, warn])

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+ + + + + + + + \ No newline at end of file diff --git a/_sources/_autosummary/ocpmodels.common.distutils.rst b/_sources/_autosummary/ocpmodels.common.distutils.rst new file mode 100644 index 000000000..aab212b4e --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.distutils.rst @@ -0,0 +1,39 @@ +ocpmodels.common.distutils +========================== + +.. automodule:: ocpmodels.common.distutils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + all_gather + all_reduce + broadcast + cleanup + get_rank + get_world_size + initialized + is_master + os_environ_get_or_throw + setup + synchronize + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.common.flags.rst b/_sources/_autosummary/ocpmodels.common.flags.rst new file mode 100644 index 000000000..a62b7162b --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.flags.rst @@ -0,0 +1,29 @@ +ocpmodels.common.flags +====================== + +.. automodule:: ocpmodels.common.flags + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Flags + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.common.gp_utils.rst b/_sources/_autosummary/ocpmodels.common.gp_utils.rst new file mode 100644 index 000000000..befd627b3 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.gp_utils.rst @@ -0,0 +1,54 @@ +ocpmodels.common.gp\_utils +========================== + +.. automodule:: ocpmodels.common.gp_utils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + cleanup_gp + copy_to_model_parallel_region + divide_and_check_no_remainder + ensure_div + gather_from_model_parallel_region + get_dp_group + get_dp_rank + get_dp_world_size + get_gp_group + get_gp_rank + get_gp_world_size + initialized + pad_tensor + reduce_from_model_parallel_region + scatter_to_model_parallel_region + setup_gp + trim_tensor + + + + + + .. rubric:: Classes + + .. autosummary:: + + CopyToModelParallelRegion + GatherFromModelParallelRegion + ReduceFromModelParallelRegion + ScatterToModelParallelRegion + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.common.registry.rst b/_sources/_autosummary/ocpmodels.common.registry.rst new file mode 100644 index 000000000..3da0fa7b2 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.registry.rst @@ -0,0 +1,29 @@ +ocpmodels.common.registry +========================= + +.. automodule:: ocpmodels.common.registry + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Registry + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.common.relaxation.optimizers.rst b/_sources/_autosummary/ocpmodels.common.relaxation.optimizers.rst new file mode 100644 index 000000000..877f642ab --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.relaxation.optimizers.rst @@ -0,0 +1,31 @@ +ocpmodels.common.relaxation.optimizers +====================================== + +.. automodule:: ocpmodels.common.relaxation.optimizers + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.common.relaxation.optimizers.lbfgs_torch + diff --git a/_sources/_autosummary/ocpmodels.common.relaxation.rst b/_sources/_autosummary/ocpmodels.common.relaxation.rst new file mode 100644 index 000000000..ea02e37f8 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.relaxation.rst @@ -0,0 +1,33 @@ +ocpmodels.common.relaxation +=========================== + +.. automodule:: ocpmodels.common.relaxation + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.common.relaxation.ase_utils + ocpmodels.common.relaxation.ml_relaxation + ocpmodels.common.relaxation.optimizers + diff --git a/_sources/_autosummary/ocpmodels.common.rst b/_sources/_autosummary/ocpmodels.common.rst new file mode 100644 index 000000000..645e68eeb --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.rst @@ -0,0 +1,41 @@ +ocpmodels.common +================ + +.. automodule:: ocpmodels.common + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.common.data_parallel + ocpmodels.common.distutils + ocpmodels.common.flags + ocpmodels.common.gp_utils + ocpmodels.common.hpo_utils + ocpmodels.common.logger + ocpmodels.common.registry + ocpmodels.common.relaxation + ocpmodels.common.transforms + ocpmodels.common.typing + ocpmodels.common.utils + diff --git a/_sources/_autosummary/ocpmodels.common.typing.rst b/_sources/_autosummary/ocpmodels.common.typing.rst new file mode 100644 index 000000000..615b1af31 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.common.typing.rst @@ -0,0 +1,30 @@ +ocpmodels.common.typing +======================= + +.. automodule:: ocpmodels.common.typing + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + assert_is_instance + none_throws + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.initializers.rst b/_sources/_autosummary/ocpmodels.models.gemnet.initializers.rst new file mode 100644 index 000000000..c90c138d6 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.initializers.rst @@ -0,0 +1,29 @@ +ocpmodels.models.gemnet.initializers +==================================== + +.. automodule:: ocpmodels.models.gemnet.initializers + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + he_orthogonal_init + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.rst new file mode 100644 index 000000000..c78905f80 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet.layers.atom\_update\_block +================================================== + +.. automodule:: ocpmodels.models.gemnet.layers.atom_update_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomUpdateBlock + OutputBlock + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.base_layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.base_layers.rst new file mode 100644 index 000000000..e3cb95654 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.base_layers.rst @@ -0,0 +1,32 @@ +ocpmodels.models.gemnet.layers.base\_layers +=========================================== + +.. automodule:: ocpmodels.models.gemnet.layers.base_layers + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Dense + ResidualLayer + ScaledSiLU + SiQU + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.efficient.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.efficient.rst new file mode 100644 index 000000000..cd682168f --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.efficient.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet.layers.efficient +======================================== + +.. automodule:: ocpmodels.models.gemnet.layers.efficient + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + EfficientInteractionBilinear + EfficientInteractionDownProjection + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.rst new file mode 100644 index 000000000..2e3c20f36 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet.layers.embedding\_block +=============================================== + +.. automodule:: ocpmodels.models.gemnet.layers.embedding_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomEmbedding + EdgeEmbedding + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.rst new file mode 100644 index 000000000..5929ba181 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet.layers.interaction\_block +================================================= + +.. automodule:: ocpmodels.models.gemnet.layers.interaction_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + InteractionBlockTripletsOnly + TripletInteraction + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet.layers.rst new file mode 100644 index 000000000..d306041e4 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.layers.rst @@ -0,0 +1,38 @@ +ocpmodels.models.gemnet.layers +============================== + +.. automodule:: ocpmodels.models.gemnet.layers + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet.layers.atom_update_block + ocpmodels.models.gemnet.layers.base_layers + ocpmodels.models.gemnet.layers.basis_utils + ocpmodels.models.gemnet.layers.efficient + ocpmodels.models.gemnet.layers.embedding_block + ocpmodels.models.gemnet.layers.interaction_block + ocpmodels.models.gemnet.layers.radial_basis + ocpmodels.models.gemnet.layers.spherical_basis + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.rst b/_sources/_autosummary/ocpmodels.models.gemnet.rst new file mode 100644 index 000000000..207e084cb --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.rst @@ -0,0 +1,34 @@ +ocpmodels.models.gemnet +======================= + +.. automodule:: ocpmodels.models.gemnet + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet.gemnet + ocpmodels.models.gemnet.initializers + ocpmodels.models.gemnet.layers + ocpmodels.models.gemnet.utils + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet.utils.rst b/_sources/_autosummary/ocpmodels.models.gemnet.utils.rst new file mode 100644 index 000000000..bb24ed0ce --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet.utils.rst @@ -0,0 +1,37 @@ +ocpmodels.models.gemnet.utils +============================= + +.. automodule:: ocpmodels.models.gemnet.utils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + calculate_interatomic_vectors + inner_product_normalized + mask_neighbors + ragged_range + read_json + read_value_json + repeat_blocks + update_json + write_json + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.initializers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.initializers.rst new file mode 100644 index 000000000..116d99d67 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.initializers.rst @@ -0,0 +1,29 @@ +ocpmodels.models.gemnet\_gp.initializers +======================================== + +.. automodule:: ocpmodels.models.gemnet_gp.initializers + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + he_orthogonal_init + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.rst new file mode 100644 index 000000000..1a35ce7a3 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.rst @@ -0,0 +1,36 @@ +ocpmodels.models.gemnet\_gp.layers.atom\_update\_block +====================================================== + +.. automodule:: ocpmodels.models.gemnet_gp.layers.atom_update_block + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + scatter_sum + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomUpdateBlock + OutputBlock + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.rst new file mode 100644 index 000000000..eb6516234 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.rst @@ -0,0 +1,32 @@ +ocpmodels.models.gemnet\_gp.layers.base\_layers +=============================================== + +.. automodule:: ocpmodels.models.gemnet_gp.layers.base_layers + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Dense + ResidualLayer + ScaledSiLU + SiQU + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.rst new file mode 100644 index 000000000..bada91fc1 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet\_gp.layers.efficient +============================================ + +.. automodule:: ocpmodels.models.gemnet_gp.layers.efficient + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + EfficientInteractionBilinear + EfficientInteractionDownProjection + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.rst new file mode 100644 index 000000000..f3ec5a025 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet\_gp.layers.embedding\_block +=================================================== + +.. automodule:: ocpmodels.models.gemnet_gp.layers.embedding_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomEmbedding + EdgeEmbedding + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.rst new file mode 100644 index 000000000..f38358655 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet\_gp.layers.interaction\_block +===================================================== + +.. automodule:: ocpmodels.models.gemnet_gp.layers.interaction_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + InteractionBlockTripletsOnly + TripletInteraction + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.rst new file mode 100644 index 000000000..6caefc79d --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.layers.rst @@ -0,0 +1,38 @@ +ocpmodels.models.gemnet\_gp.layers +================================== + +.. automodule:: ocpmodels.models.gemnet_gp.layers + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet_gp.layers.atom_update_block + ocpmodels.models.gemnet_gp.layers.base_layers + ocpmodels.models.gemnet_gp.layers.basis_utils + ocpmodels.models.gemnet_gp.layers.efficient + ocpmodels.models.gemnet_gp.layers.embedding_block + ocpmodels.models.gemnet_gp.layers.interaction_block + ocpmodels.models.gemnet_gp.layers.radial_basis + ocpmodels.models.gemnet_gp.layers.spherical_basis + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.rst new file mode 100644 index 000000000..86fd1c90f --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.rst @@ -0,0 +1,34 @@ +ocpmodels.models.gemnet\_gp +=========================== + +.. automodule:: ocpmodels.models.gemnet_gp + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet_gp.gemnet + ocpmodels.models.gemnet_gp.initializers + ocpmodels.models.gemnet_gp.layers + ocpmodels.models.gemnet_gp.utils + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_gp.utils.rst b/_sources/_autosummary/ocpmodels.models.gemnet_gp.utils.rst new file mode 100644 index 000000000..61a4b19e1 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_gp.utils.rst @@ -0,0 +1,37 @@ +ocpmodels.models.gemnet\_gp.utils +================================= + +.. automodule:: ocpmodels.models.gemnet_gp.utils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + calculate_interatomic_vectors + inner_product_normalized + mask_neighbors + ragged_range + read_json + read_value_json + repeat_blocks + update_json + write_json + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.initializers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.initializers.rst new file mode 100644 index 000000000..ed656d3d3 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.initializers.rst @@ -0,0 +1,32 @@ +ocpmodels.models.gemnet\_oc.initializers +======================================== + +.. automodule:: ocpmodels.models.gemnet_oc.initializers + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + get_initializer + grid_init + he_orthogonal_init + log_grid_init + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.rst new file mode 100644 index 000000000..d32fd4640 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.rst @@ -0,0 +1,31 @@ +ocpmodels.models.gemnet\_oc.interaction\_indices +================================================ + +.. automodule:: ocpmodels.models.gemnet_oc.interaction_indices + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + get_mixed_triplets + get_quadruplets + get_triplets + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.rst new file mode 100644 index 000000000..fac5cd8c1 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.rst @@ -0,0 +1,31 @@ +ocpmodels.models.gemnet\_oc.layers.base\_layers +=============================================== + +.. automodule:: ocpmodels.models.gemnet_oc.layers.base_layers + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Dense + ResidualLayer + ScaledSiLU + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.rst new file mode 100644 index 000000000..3a9d4a322 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet\_oc.layers.efficient +============================================ + +.. automodule:: ocpmodels.models.gemnet_oc.layers.efficient + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + BasisEmbedding + EfficientInteractionBilinear + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.rst new file mode 100644 index 000000000..1304ac627 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.rst @@ -0,0 +1,30 @@ +ocpmodels.models.gemnet\_oc.layers.embedding\_block +=================================================== + +.. automodule:: ocpmodels.models.gemnet_oc.layers.embedding_block + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomEmbedding + EdgeEmbedding + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.rst new file mode 100644 index 000000000..706453317 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.rst @@ -0,0 +1,29 @@ +ocpmodels.models.gemnet\_oc.layers.force\_scaler +================================================ + +.. automodule:: ocpmodels.models.gemnet_oc.layers.force_scaler + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + ForceScaler + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.rst new file mode 100644 index 000000000..eff176496 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.rst @@ -0,0 +1,34 @@ +ocpmodels.models.gemnet\_oc.layers.radial\_basis +================================================ + +.. automodule:: ocpmodels.models.gemnet_oc.layers.radial_basis + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + BernsteinBasis + ExponentialEnvelope + GaussianBasis + PolynomialEnvelope + RadialBasis + SphericalBesselBasis + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.rst new file mode 100644 index 000000000..5d2ad48c0 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.layers.rst @@ -0,0 +1,39 @@ +ocpmodels.models.gemnet\_oc.layers +================================== + +.. automodule:: ocpmodels.models.gemnet_oc.layers + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet_oc.layers.atom_update_block + ocpmodels.models.gemnet_oc.layers.base_layers + ocpmodels.models.gemnet_oc.layers.basis_utils + ocpmodels.models.gemnet_oc.layers.efficient + ocpmodels.models.gemnet_oc.layers.embedding_block + ocpmodels.models.gemnet_oc.layers.force_scaler + ocpmodels.models.gemnet_oc.layers.interaction_block + ocpmodels.models.gemnet_oc.layers.radial_basis + ocpmodels.models.gemnet_oc.layers.spherical_basis + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.rst new file mode 100644 index 000000000..1dedd4c99 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.rst @@ -0,0 +1,35 @@ +ocpmodels.models.gemnet\_oc +=========================== + +.. automodule:: ocpmodels.models.gemnet_oc + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.gemnet_oc.gemnet_oc + ocpmodels.models.gemnet_oc.initializers + ocpmodels.models.gemnet_oc.interaction_indices + ocpmodels.models.gemnet_oc.layers + ocpmodels.models.gemnet_oc.utils + diff --git a/_sources/_autosummary/ocpmodels.models.gemnet_oc.utils.rst b/_sources/_autosummary/ocpmodels.models.gemnet_oc.utils.rst new file mode 100644 index 000000000..ac388181b --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.gemnet_oc.utils.rst @@ -0,0 +1,40 @@ +ocpmodels.models.gemnet\_oc.utils +================================= + +.. automodule:: ocpmodels.models.gemnet_oc.utils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + calculate_interatomic_vectors + get_angle + get_edge_id + get_inner_idx + get_neighbor_order + get_projected_angle + inner_product_clamped + mask_neighbors + masked_select_sparsetensor_flat + ragged_range + repeat_blocks + vector_rejection + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.painn.rst b/_sources/_autosummary/ocpmodels.models.painn.rst new file mode 100644 index 000000000..4f16a09a7 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.painn.rst @@ -0,0 +1,32 @@ +ocpmodels.models.painn +====================== + +.. automodule:: ocpmodels.models.painn + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.painn.painn + ocpmodels.models.painn.utils + diff --git a/_sources/_autosummary/ocpmodels.models.painn.utils.rst b/_sources/_autosummary/ocpmodels.models.painn.utils.rst new file mode 100644 index 000000000..b1adcbb06 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.painn.utils.rst @@ -0,0 +1,30 @@ +ocpmodels.models.painn.utils +============================ + +.. automodule:: ocpmodels.models.painn.utils + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + get_edge_id + repeat_blocks + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.rst b/_sources/_autosummary/ocpmodels.models.rst new file mode 100644 index 000000000..40a451f8b --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.rst @@ -0,0 +1,41 @@ +ocpmodels.models +================ + +.. automodule:: ocpmodels.models + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.base + ocpmodels.models.dimenet_plus_plus + ocpmodels.models.equiformer_v2 + ocpmodels.models.escn + ocpmodels.models.gemnet + ocpmodels.models.gemnet_gp + ocpmodels.models.gemnet_oc + ocpmodels.models.painn + ocpmodels.models.schnet + ocpmodels.models.scn + ocpmodels.models.utils + diff --git a/_sources/_autosummary/ocpmodels.models.scn.rst b/_sources/_autosummary/ocpmodels.models.scn.rst new file mode 100644 index 000000000..e6f219535 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.scn.rst @@ -0,0 +1,34 @@ +ocpmodels.models.scn +==================== + +.. automodule:: ocpmodels.models.scn + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.scn.sampling + ocpmodels.models.scn.scn + ocpmodels.models.scn.smearing + ocpmodels.models.scn.spherical_harmonics + diff --git a/_sources/_autosummary/ocpmodels.models.scn.sampling.rst b/_sources/_autosummary/ocpmodels.models.scn.sampling.rst new file mode 100644 index 000000000..55b14c649 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.scn.sampling.rst @@ -0,0 +1,30 @@ +ocpmodels.models.scn.sampling +============================= + +.. automodule:: ocpmodels.models.scn.sampling + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + CalcSpherePoints + CalcSpherePointsRandom + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.scn.smearing.rst b/_sources/_autosummary/ocpmodels.models.scn.smearing.rst new file mode 100644 index 000000000..32bd71d32 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.scn.smearing.rst @@ -0,0 +1,32 @@ +ocpmodels.models.scn.smearing +============================= + +.. automodule:: ocpmodels.models.scn.smearing + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + GaussianSmearing + LinearSigmoidSmearing + SiLUSmearing + SigmoidSmearing + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.scn.spherical_harmonics.rst b/_sources/_autosummary/ocpmodels.models.scn.spherical_harmonics.rst new file mode 100644 index 000000000..a94772ec8 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.scn.spherical_harmonics.rst @@ -0,0 +1,35 @@ +ocpmodels.models.scn.spherical\_harmonics +========================================= + +.. automodule:: ocpmodels.models.scn.spherical_harmonics + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + wigner_D + + + + + + .. rubric:: Classes + + .. autosummary:: + + SphericalHarmonicsHelper + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.utils.activations.rst b/_sources/_autosummary/ocpmodels.models.utils.activations.rst new file mode 100644 index 000000000..8e658c87e --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.utils.activations.rst @@ -0,0 +1,29 @@ +ocpmodels.models.utils.activations +================================== + +.. automodule:: ocpmodels.models.utils.activations + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Act + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.utils.basis.rst b/_sources/_autosummary/ocpmodels.models.utils.basis.rst new file mode 100644 index 000000000..6b4b603c7 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.utils.basis.rst @@ -0,0 +1,35 @@ +ocpmodels.models.utils.basis +============================ + +.. automodule:: ocpmodels.models.utils.basis + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Basis + FourierSmearing + GaussianSmearing + SINESmearing + SIREN + Sine + SphericalSmearing + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.models.utils.rst b/_sources/_autosummary/ocpmodels.models.utils.rst new file mode 100644 index 000000000..6f758d119 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.models.utils.rst @@ -0,0 +1,32 @@ +ocpmodels.models.utils +====================== + +.. automodule:: ocpmodels.models.utils + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.models.utils.activations + ocpmodels.models.utils.basis + diff --git a/_sources/_autosummary/ocpmodels.modules.evaluator.rst b/_sources/_autosummary/ocpmodels.modules.evaluator.rst new file mode 100644 index 000000000..ca04ba889 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.evaluator.rst @@ -0,0 +1,48 @@ +ocpmodels.modules.evaluator +=========================== + +.. automodule:: ocpmodels.modules.evaluator + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + average_distance_within_threshold + cosine_similarity + energy_forces_within_threshold + energy_within_threshold + forcesx_mae + forcesx_mse + forcesy_mae + forcesy_mse + forcesz_mae + forcesz_mse + mae + magnitude_error + min_diff + mse + + + + + + .. rubric:: Classes + + .. autosummary:: + + Evaluator + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.exponential_moving_average.rst b/_sources/_autosummary/ocpmodels.modules.exponential_moving_average.rst new file mode 100644 index 000000000..df42a5c8f --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.exponential_moving_average.rst @@ -0,0 +1,29 @@ +ocpmodels.modules.exponential\_moving\_average +============================================== + +.. automodule:: ocpmodels.modules.exponential_moving_average + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + ExponentialMovingAverage + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.loss.rst b/_sources/_autosummary/ocpmodels.modules.loss.rst new file mode 100644 index 000000000..5ad61b9d6 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.loss.rst @@ -0,0 +1,31 @@ +ocpmodels.modules.loss +====================== + +.. automodule:: ocpmodels.modules.loss + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + AtomwiseL2Loss + DDPLoss + L2MAELoss + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.normalizer.rst b/_sources/_autosummary/ocpmodels.modules.normalizer.rst new file mode 100644 index 000000000..3a1326f7b --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.normalizer.rst @@ -0,0 +1,29 @@ +ocpmodels.modules.normalizer +============================ + +.. automodule:: ocpmodels.modules.normalizer + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + Normalizer + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.rst b/_sources/_autosummary/ocpmodels.modules.rst new file mode 100644 index 000000000..beae9ae4c --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.rst @@ -0,0 +1,37 @@ +ocpmodels.modules +================= + +.. automodule:: ocpmodels.modules + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.modules.evaluator + ocpmodels.modules.exponential_moving_average + ocpmodels.modules.loss + ocpmodels.modules.normalizer + ocpmodels.modules.scaling + ocpmodels.modules.scheduler + ocpmodels.modules.transforms + diff --git a/_sources/_autosummary/ocpmodels.modules.scaling.compat.rst b/_sources/_autosummary/ocpmodels.modules.scaling.compat.rst new file mode 100644 index 000000000..158b68055 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.scaling.compat.rst @@ -0,0 +1,29 @@ +ocpmodels.modules.scaling.compat +================================ + +.. automodule:: ocpmodels.modules.scaling.compat + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + load_scales_compat + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.scaling.rst b/_sources/_autosummary/ocpmodels.modules.scaling.rst new file mode 100644 index 000000000..abb48df88 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.scaling.rst @@ -0,0 +1,34 @@ +ocpmodels.modules.scaling +========================= + +.. automodule:: ocpmodels.modules.scaling + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.modules.scaling.compat + ocpmodels.modules.scaling.fit + ocpmodels.modules.scaling.scale_factor + ocpmodels.modules.scaling.util + diff --git a/_sources/_autosummary/ocpmodels.modules.scaling.scale_factor.rst b/_sources/_autosummary/ocpmodels.modules.scaling.scale_factor.rst new file mode 100644 index 000000000..704ef2c85 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.scaling.scale_factor.rst @@ -0,0 +1,29 @@ +ocpmodels.modules.scaling.scale\_factor +======================================= + +.. automodule:: ocpmodels.modules.scaling.scale_factor + + + + + + + + + + + + .. rubric:: Classes + + .. autosummary:: + + ScaleFactor + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.modules.scaling.util.rst b/_sources/_autosummary/ocpmodels.modules.scaling.util.rst new file mode 100644 index 000000000..86c83e8b6 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.modules.scaling.util.rst @@ -0,0 +1,29 @@ +ocpmodels.modules.scaling.util +============================== + +.. automodule:: ocpmodels.modules.scaling.util + + + + + + + + .. rubric:: Functions + + .. autosummary:: + + ensure_fitted + + + + + + + + + + + + + diff --git a/_sources/_autosummary/ocpmodels.rst b/_sources/_autosummary/ocpmodels.rst new file mode 100644 index 000000000..9e1012238 --- /dev/null +++ b/_sources/_autosummary/ocpmodels.rst @@ -0,0 +1,37 @@ +ocpmodels +========= + +.. automodule:: ocpmodels + + + + + + + + + + + + + + + + + + + +.. rubric:: Modules + +.. autosummary:: + :toctree: + :recursive: + + ocpmodels.common + ocpmodels.datasets + ocpmodels.models + ocpmodels.modules + ocpmodels.preprocessing + ocpmodels.tasks + ocpmodels.trainers + diff --git a/_sources/api.rst b/_sources/api.rst new file mode 100644 index 000000000..62341da4a --- /dev/null +++ b/_sources/api.rst @@ -0,0 +1,8 @@ +API documentation +================= + +.. autosummary:: + :toctree: _autosummary + :recursive: + + ocpmodels \ No newline at end of file diff --git a/_sources/core/DATASET.md b/_sources/core/DATASET.md new file mode 100644 index 000000000..540e4c5a4 --- /dev/null +++ b/_sources/core/DATASET.md @@ -0,0 +1,528 @@ +# Open Catalyst datasets + +* [Open Catalyst 2020 (OC20)](#open-catalyst-2020-oc20) + * [Scripts to download and preprocess the data](#download-and-preprocess-the-dataset) + * [Structure to Energy and Forces (S2EF)](#structure-to-energy-and-forces-s2ef-task) + * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE)](#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks) + * [Relaxation Trajectories](#relaxation-trajectories) + * [Bader charge data](#bader-charge-data) + * [OC20 metadata](#oc20-mappings) + * [Changelog](#dataset-changelog) + * [License and bibtex](#citing-oc20) +* [Open Catalyst 2022 (OC22)](#open-catalyst-2022-oc22) + * [Structure to Total Energy and Forces (S2EF-total)](#structure-to-total-energy-and-forces-s2ef-total-task) + * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Total Energy (IS2RE-total)](#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks) + * [Relaxation Trajectories](#relaxation-trajectories-1) + * [OC22 metadata](#oc22-mappings) + * [License and bibtex](#citing-oc22) +* [Open Direct Air Capture 2023 (ODAC23)](#open-direct-air-capture-2023-odac23) + * [Structure to Energy and Forces (S2EF) task](#structure-to-energy-and-forces-s2ef-task) + * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks](#initial-structure-to-relaxed-structure-is2rs--relaxed-energy-is2re-tasks) + +* * * + +## Open Catalyst 2020 (OC20) + +*NOTE: Data files for all tasks / splits were updated on Feb 10, 2021 due to minor bugs (affecting < 1% of the data) in earlier versions. If you downloaded data before Feb 10, 2021, please re-download the data.* + + +### Download and preprocess the dataset + +IS2* datasets are stored as LMDB files and are ready to be used upon download. +S2EF train+val datasets require an additional preprocessing step. + +For convenience, a self-contained script can be found [here](https://github.com/Open-Catalyst-Project/ocp/blob/main/scripts/download_data.py) to download, preprocess, and organize the data directories to be readily usable by the existing [configs](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs). + +For IS2*, run the script as: + + + +``` +python scripts/download_data.py --task is2re +``` + + + +For S2EF train/val, run the script as: + + + +``` +python scripts/download_data.py --task s2ef --split SPLIT_SIZE --get-edges --num-workers WORKERS --ref-energy +``` + + + + + +* `--split`: split size to download: `"200k", "2M", "20M", "all", "val_id", "val_ood_ads", "val_ood_cat", or "val_ood_both"`. +* `--get-edges`: includes edge information in LMDBs (~10x storage requirement, ~3-5x slowdown), otherwise, compute edges on the fly (larger GPU memory requirement). +* `--num-workers`: number of workers to parallelize preprocessing across. +* `--ref-energy`: uses referenced energies instead of raw energies. + +For S2EF test, run the script as: + + +``` +python scripts/download_data.py --task s2ef --split test +``` + + + +To download and process the dataset in a directory other than your local `ocp/data` folder, add the following command line argument `--data-path`. + +Note that the baseline [configs](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs) +expect the data to be found in `ocp/data`, make sure you symlink your directory or +modify the paths in the configs accordingly. + +The following sections list dataset download links and sizes for various S2EF +and IS2RE/IS2RS task splits. If you used the above `download_data.py` script to +download and preprocess the data, you are good to go and can stop reading here! + + +### Structure to Energy and Forces (S2EF) task + +For this task’s train and validation sets, we provide compressed trajectory files with the input structures and output energies and forces. We provide precomputed LMDBs for the test sets. To use the train and validation datasets, first download the files and uncompress them. The uncompressed files are used to generate LMDBs, which are in turn used by the dataloaders to train the ML models. Code for the dataloaders and generating the LMDBs may be found in the Github repository. + +Four training datasets are provided with different sizes. Each is a subset of the other, i.e., the 2M dataset is contained in the 20M and all datasets. + +Four datasets are provided for validation set. Each dataset corresponds to a subsplit used to evaluate different types of extrapolation, in domain (id, same distribution as the training dataset), out of domain adsorbate (ood_ads, unseen adsorbate), out of domain catalyst (ood_cat, unseen catalyst composition), and out of domain both (ood_both, unseen adsorbate and catalyst composition). + +For the test sets, we provide precomputed LMDBs for each of the 4 subsplits (In Domain, OOD Adsorbate, OOD Catalyst, OOD Both). + +Each tarball has a README file containing details about file formats, number of structures / trajectories, etc. + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train | | | | | +|all |225G |1.1T | [12a7087bfd189a06ccbec9bc7add2bcd](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_train_all.tar) | +|20M |34G |165G | [863bc983245ffc0285305a1850e19cf7](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_train_20M.tar) | +|2M |3.4G |17G | [953474cb93f0b08cdc523399f03f7c36](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_train_2M.tar) | +|200K |344M |1.7G | [f8d0909c2623a393148435dede7d3a46](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_train_200K.tar) | +| | | | | | +|Validation | | | | | +|val_id |1.7G |8.3G | [f57f7f5c1302637940f2cc858e789410](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_val_id.tar) | +|val_ood_ads |1.7G |8.2G | [431ab0d7557a4639605ba8b67793f053](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_val_ood_ads.tar) | +|val_ood_cat |1.7G |8.3G | [532d6cd1fe541a0ddb0aa0f99962b7db](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_val_ood_cat.tar) | +|val_ood_both |1.9G |9.5G | [5731862978d80502bbf7017d68c2c729](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_val_ood_both.tar) | +| | | | | | +|Test (LMDBs for all splits) |30G |415G | [bcada432482f6e87b24e14b6b744992a](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_test_lmdbs.tar.gz) | +| | | | | | +|Rattled data |29G |136G | [40431149b27b64ce1fb40cac4e2e064b](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_rattled.tar) | +| | | | | | +|MD data |42G |306G | [9fed845aaab8fb4bf85e3a8db57796e0](https://dl.fbaipublicfiles.com/opencatalystproject/data/s2ef_md.tar) | +| | | | | + + + + +### Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks + +For the IS2RS and IS2RE tasks, we are providing: + + + +* One `.tar.gz` file with precomputed LMDBs which once downloaded and uncompressed, can be used directly to train ML models. The LMDBs contain the input initial structures and the output relaxed structures and energies. Training datasets are split by size, with each being a subset of the larger splits, similar to S2EF. The validation and test datasets are broken into subsplits based on different extrapolation evaluations (In Domain, OOD Adsorbate, OOD Catalyst, OOD Both). +* underlying ASE relaxation trajectories for the adsorbate+catalyst in the entire training and validation sets for the IS2RE and IS2RS tasks. These are **not** required to download for training ML models, but are available for interested users. + +Each tarball has README file containing details about file formats, number of structures / trajectories, etc. + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train (all splits) + Validation (all splits) + test (all splits) |8.1G |97G | [cfc04dd2f87b4102ab2f607240d25fb1](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_train_val_test_lmdbs.tar.gz) | +|Test-challenge 2021 ([challenge details](https://opencatalystproject.org/challenge.html)) |1.3G |17G | [aed414cdd240fbb5670b5de6887a138b](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2re_test_challenge_2021.tar.gz) | +| | | | | + + + + + + +### Relaxation Trajectories + +#### Adsorbate+catalyst system trajectories (optional download) + +|Split |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|All IS2RE/S training (~466k trajectories) |109G |841G | [9e3ed4d1e497bfdce4472ee70455edef](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_train_trajectories.tar) | +| | | | | +|IS2RE/S Validation | | | | +|val_id (~25K trajectories) |5.9G |46G | [fcb71363018fb1e7127db2500e39e11a](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_val_id_trajectories.tar) | +|val_ood_ads (~25K trajectories) |5.7G |44G | [5ced8ea84584aa229d31e693e0fb090f](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_val_ood_ads_trajectories.tar) | +|val_ood_cat (~25K trajectories) |6.0G |46G | [88dcc02fd8c174a72d2c416878fc44ff](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_val_ood_cat_trajectories.tar) | +|val_ood_both (~25K trajectories) |4.4G |35G | [bc74b6474a13542cc56eaa97bd51adfc](https://dl.fbaipublicfiles.com/opencatalystproject/data/is2res_val_ood_both_trajectories.tar) | + + + +##### Per-adsorbate trajectories (optional download) + +Adsorbate+catalyst trajectories on a per adsorbate basis are provided [here](./DATASET_PER_ADSORBATE.md) to avoid having to download all systems. Note - a few adsorbates are intentionally left out for the test splits. + + + +#### Catalyst system trajectories (optional download) + +|Number |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) |MD5 checksum (download link) | +|--- |--- |--- |--- | +|294k systems |20G |151G | [347f4183465810e9b384e7a033baefc7](https://dl.fbaipublicfiles.com/opencatalystproject/data/slab_trajectories.tar) | + + +### Bader charge data +We provide Bader charge data for all final frames of our train + validation systems in OC20 (for both S2EF and IS2RE/RS tasks). A `.tar.gz` file, when downloaded and uncompressed will contain several directories with unique system-ids (of the format `random` where `XYZ` is an integer). Each directory will contain raw Bader charge analysis outputs. For more details on the Bader charge analysis, see https://theory.cm.utexas.edu/henkelman/research/bader/. + +Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/oc20_bader_data.tar (MD5 checksum: `aecc5e23542de49beceb4b7e44c153b9`) + +### OC20 mappings + +#### Data mapping information + +We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC20 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the adsorbate+catalyst system-ids (of the format `random` where `XYZ` is an integer), and the corresponding value of each key is a dictionary with information about: + + + +* `bulk_mpid` : Materials Project ID of the bulk system used corresponding the the catalyst surface +* `bulk_symbols` Chemical composition of the bulk counterpart +* `ads_symbols` Chemical composition of the adsorbate counterpart +* `ads_id` : internal unique identifier, one for each of the 82 adsorbates used in the dataset +* `bulk_id` : internal unique identifier one for each of the 11500 bulks used in the dataset +* `miller_index`: 3-tuple of integers indicating the Miller indices of the surface +* `shift`: c-direction shift used to determine cutoff for the surface (c-direction is following the nomenclature from Pymatgen) +* `top`: boolean indicating whether the chosen surface was at the top or bottom of the originally enumerated surface +* `adsorption_site`: A tuple of 3-tuples containing the Cartesian coordinates of each binding adsorbate atom +* `class`: integer indicating the class of materials the system's slab is part of, where: +* 0 - intermetallics +* 1 - metalloids +* 2 - non-metals +* 3 - halides +* `anomaly`: integer indicating possible anomalies (based off general heuristics, not to be taken as perfect classifications), where: +* 0 - no anomaly +* 1 - adsorbate dissociation +* 2 - adsorbate desorption +* 3 - surface reconstruction +* 4 - incorrect CHCOH placement, appears to be CHCO with a lone, uninteracting, H far off in the unit cell + +Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/oc20_data_mapping.pkl (MD5 checksum: `01c879067a05b4288055a1fdf821e068`) + +An example entry is + + + +``` +'random2181546': {'bulk_id': 6510, + 'ads_id': 69, + 'bulk_mpid': 'mp-22179', + 'bulk_symbols': 'Si2Ti2Y2', + 'ads_symbols': '*N2', + 'miller_index': (2, 0, 1), + 'shift': 0.145, + 'top': True, + 'adsorption_site': ((4.5, 12.85, 16.13),), + 'class': 1, + 'anomaly': 0} +``` + + + + + +### Adsorbate-catalyst system to catalyst system mapping information + +We provide a Python pickle file containing information about the mapping from adsorbate-catalyst systems to their corresponding catalyst systems. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the adsorbate+catalyst system-ids (of the format `random` where `XYZ` is an integer), and values will be the catalyst system-ids (of the format `random` where `PQR` is an integer). + +Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/mapping_adslab_slab.pkl (MD5 checksum: `079041076c3f15d18ecb5d17c509cdfe`) + +An example entry is + + + +``` +'random1981709': 'random533137' +``` + + + + + +### Dataset changelog + +#### September 2021 + +* Released IS2RE `test-challenge` data for the [Open Catalyst Challenge 2021](https://opencatalystproject.org/challenge.html) + +#### March 2021 + +* Modified the pickle corresponding to data mapping information. Now the pickle includes extra information about `miller_index`, `shift`, `top` and `adsorption_site`. +* Added Molecular Dynamics (MD) and rattled data for S2EF task. + +#### Version 2, Feb 2021 + +Modifications: + + + +* Removed slab systems which had single frame checkpoints, this led to modifications of reference frame energies of 350k frames out of 130M. +* Fixed stitching of checkpoints in adsorbate+catalyst trajectories. +* Added release of slab trajectories. + +Below are actual updates numbers, of the form `old` → `new` + +Total S2EF frames: + + + +* train: 133953162 → 133934018 +* validation: + * val_id : 1000000 → 999866 + * val_ood_ads: 1000000 → 999838 + * val_ood_cat: 1000000 → 999809 + * val_ood_both: 1000000 → 999944 +* test: + * test_id: 1000000 → 999736 + * test_ood_ads: 1000000 → 999859 + * test_ood_cat: 1000000 → 999826 + * test_ood_both: 1000000 → 999973 + +Total IS2RE and IS2RS systems: + + + +* train: 461313 → 460328 +* validation: + * val_id : 24946 → 24943 + * val_ood_ads: 24966 → 24961 + * val_ood_cat: 24988 → 24963 + * val_ood_both: 24963 → 24987 +* test: + * test_id: 24951 → 24948 + * test_ood_ads: 24931 → 24930 + * test_ood_cat: 24967 → 24965 + * test_ood_both: 24986 → 24985 + +#### Version 1, Oct 2020 + +Total S2EF frames: + + + +* train: 133953162 +* validation: + * val_id : 1000000 + * val_ood_ads: 1000000 + * val_ood_cat: 1000000 + * val_ood_both: 1000000 +* test: + * test_id: 1000000 + * test_ood_ads: 1000000 + * test_ood_cat: 1000000 + * test_ood_both: 1000000 + +Total IS2RE and IS2RS systems: + + + +* train: 461313 +* validation: + * val_id : 24936 + * val_ood_ads: 24966 + * val_ood_cat: 24988 + * val_ood_both: 24963 +* test: + * test_id: 24951 + * test_ood_ads: 24931 + * test_ood_cat: 24967 + * test_ood_both: 24986 + +### Citing OC20 + +The Open Catalyst 2020 (OC20) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the OC20 dataset: + + + +```bibtex +@article{ocp_dataset, + author = {Chanussot*, Lowik and Das*, Abhishek and Goyal*, Siddharth and Lavril*, Thibaut and Shuaibi*, Muhammed and Riviere, Morgane and Tran, Kevin and Heras-Domingo, Javier and Ho, Caleb and Hu, Weihua and Palizhati, Aini and Sriram, Anuroop and Wood, Brandon and Yoon, Junwoong and Parikh, Devi and Zitnick, C. Lawrence and Ulissi, Zachary}, + title = {Open Catalyst 2020 (OC20) Dataset and Community Challenges}, + journal = {ACS Catalysis}, + year = {2021}, + doi = {10.1021/acscatal.0c04525}, +} +``` + + + +## Open Catalyst 2022 (OC22) + +### Structure to Total Energy and Forces (S2EF-Total) task + +For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file. + + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train (all splits) + Validation (all splits) + test (all splits) | 20G | 71G | [ebea523c6f8d61248a37b4dd660b11e6](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/s2ef_total_train_val_test_lmdbs.tar.gz) +| | | | | + + + + +### Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks + +For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file. + + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train (all splits) + Validation (all splits) + test (all splits) | 109M | 424M | [b35dc24e99ef3aeaee6c5c949903de94](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/is2res_total_train_val_test_lmdbs.tar.gz) | +| | | | | + + + + + + + + +### Relaxation Trajectories + +#### System trajectories (optional download) + + +We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task: + + +|Number |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +| S2EF and IS2RE (both train and validation) | 34G | 80G | [977b6be1cbac6864e63c4c7fbf8a3fce](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_trajectories.tar.gz) | +| | | | | + + + + + +### OC22 Mappings + +#### Data mapping information + + + +We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC22 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `XYZ` where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is a dictionary with information about: + + +* `bulk_id`: Materials Project ID of the bulk system used corresponding the the catalyst surface +* `bulk_symbols`: Chemical composition of the bulk counterpart +* `miller_index`: 3-tuple of integers indicating the Miller indices of the surface +* `traj_id`: Identifier associated with the accompanying raw trajectory (if available) +* `slab_sid`: Identifier associated with the corresponding slab (if available) +* `ads_symbols`: Chemical composition of the adsorbate counterpart (adosrbate+slabs only) +* `nads`: Number of adsorbates present + + + +Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_metadata.pkl (MD5 checksum: `13dc06c6510346d8a7f614d5b26c8ffa` ) + + +An example adsorbate+slab entry: + +``` + 6877: {'bulk_id': 'mp-559112', + 'miller_index': (1, 0, 0), + 'nads': 1, + 'traj_id': 'K2Zn6O7_mp-559112_RyQXa0N0uc_ohyUKozY3G', + 'bulk_symbols': 'K4Zn12O14', + 'slab_sid': 30859, + 'ads_symbols': 'O2'}, +``` + +An example slab entry: + +``` + 34815: {'bulk_id': 'mp-18793', + 'miller_index': (1, 2, 1), + 'nads': 0, + 'traj_id': 'LiCrO2_mp-18793_clean_3HDHBg6TIz', + 'bulk_symbols': 'Li2Cr2O4'}, +``` + +#### + +#### OC20 reference information + + +In order to train models on OC20 total energy, we provide a Python pickle file containing the energy necessary to convert adsorption energy values to total energy. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `random` where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is the energy to be added to OC20 energy values. To train on total energies for OC20, specify the path to this pickle file in your training configs. + +Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl (MD5 checksum: `043e1e0b0cce64c62f01a8563dbc3178`) +#### + +### Citing OC22 + +The Open Catalyst 2022 (OC22) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the OC22 dataset: + + +```bibtex +@article{oc22_dataset, + author = {Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence}, + title = {The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts}, + journal = {ACS Catalysis}, + year={2023}, +} +``` + + +## Open Direct Air Capture 2023 (ODAC23) + +### Structure to Energy and Forces (S2EF) task + +We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDbs are compressed into a single `.tar.gz` file. + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train + Validation + Test (all splits) | 172G | 476G | [162f0660b2f1c9209c5b57f7b9e545a7](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/odac23_s2ef.tar.gz ) | +| | | | | + +The train and val splits are also available in `extxyz` formats. Each trajectory is in stored in a different `extxyz` file. + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train | 232G | 781G | [381e72fd8b9c055065fd3afff6b0945b](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/extxyz_train.tar.gz ) | +|Val | 5.1G | 18G | [09913759c6e0f8d649f7ec9dff9e0e8b](https://dl.fbaipublicfiles.com/dac/datasets/extxyz_val.tar.gz ) | +| | | | | + +### Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks + +For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDBs are compressed into a single `.tar.gz` file. + + +|Splits |Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- |--- | +|Train + Validation + Test (all splits) | 809M | 2.2G | [f7f2f58669a30abae8cb9ba1b7f2bcd2](https://dl.fbaipublicfiles.com/dac/datasets/odac23_is2r.tar.gz ) | +| | | | | + +### DDEC Charges + +We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them. + +|Size of compressed version (in bytes) |Size of uncompressed version (in bytes) | MD5 checksum (download link) | +|--- |--- |--- | +| 147M | 534M | [81927b78d9e4184cc3c398e79760126a](https://dl.fbaipublicfiles.com/dac/datasets/ddec.tar.gz ) | +| | | | + + +### Citing ODAC23 + +The OpenDAC 2023 (ODAC23) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the ODAC23 dataset: + + +```bibtex +@article{odac23_dataset, + author = {Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl}, + title = {The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture}, + year = {2023}, + journal={arXiv preprint arXiv:2311.00341}, +} +``` diff --git a/_sources/core/DATASET_PER_ADSORBATE.md b/_sources/core/DATASET_PER_ADSORBATE.md new file mode 100644 index 000000000..be8a96752 --- /dev/null +++ b/_sources/core/DATASET_PER_ADSORBATE.md @@ -0,0 +1,112 @@ +# Per-adsorbate trajectories + + +Download links are in the table below: + +|Adsorbate symbol |Downloadable path |size |MD5 checksum | +|--- |--- |--- |--- | +|*O |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar |1006M |d4151542856b4b6405f276808f75358a | +|*H |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar |850M |3697f04faf04251a23da8b88a78209f7 | +|*OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar |1.6G |a21081f3f55eb0c98a91021bbe3dac44 | +|*OH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar |1.8G |b12b706854f5d899e02a9ae6578b5d45 | +|*C |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar |1.1G |e4fe9890764fcf59e01e3ceab089b978 | +|*CH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar |1.4G |ec9aa2c4c4bd4419359438ba7fbb881d | +|*CHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar |1.4G |d32200f74ad5c3bfd42e8835f36d57ab | +|*COH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar |1.6G |5418a1b331f6c7689a5405cca4cc8d15 | +|*CH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar |1.6G |8ee1066149c305d7c17c219b369c5a73 | +|*CH2*O |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar |1.7G |960c2450814024b66f3c79121179ac60 | +|*CHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar |1.8G |60ac9f965f9589a3389483e3d1e58144 | +|*CH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar |1.7G |7e123e6f4fb10d6897be3f47721dfd4a | +|*OCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar |1.8G |0823047bbbe05fa0e63f9d83ec601487 | +|*CH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar |1.9G |9ac71e198d75b1427182cd34abb73e4d | +|*CH4 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar |1.9G |a405ce403018bf8afbd4425d5c0b34d5 | +|*OHCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar |2.1G |d3c829f1952db6e4f428273ee05f59b1 | +|*C*C |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar |1.5G |d687a151345305897b9245af4b0f9967 | +|*CCO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar |1.7G |214ca96e620c5ec6e8a6ff8144a22a04 | +|*CCH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar |1.6G |da2268545e80ca1664026449dd2fdd24 | +|*CHCO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar |1.7G |386c99407fe63080d26cda525dfdd8cd | +|*CCHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar |1.8G |918b20960438494ab160a9dbd9668157 | +|*COCHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar |1.8G |84424aa2ad30301e23ece1438ea39923 | +|*CCHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar |2.0G |3cc90425ec042a70085ba7eb2916a79a | +|*CCH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar |1.8G |9dbcf7566e40965dd7f8a186a75a718e | +|*CH*CH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar |1.7G |a193b4c72f915ba0b21a41790696b23c | +|CH2*CO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar |1.8G |de83cf50247f5556fa4f9f64beff1eeb | +|*CHCHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar |1.9G |1d140aaa2e7b287124ab38911a711d70 | +|*CH*COH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar |1.3G |682d8a6b05ca5948b34dc5e5f6bbcd61 | +|*COCH2O |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar |1.9G |c8742faa8ca40e8edb4110069817fa70 | +|*CHO*CHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar |2.0G |8cfbb67beb312b98c40fcb891dfa480a | +|*COHCHO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar |1.9G |6ffa903a62d8ec3319ecec6a03b06276 | +|*COHCOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar |2.0G |caca0058b641bfdc9f8de4527e60feb7 | +|*CCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar |1.8G |906543aaefc171edab388ff4f0fe8a20 | +|*CHCH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar |1.8G |4dfab479495f76179749c1956046fbd8 | +|*COCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar |1.9G |29d1b992715054e920e8bb2afe97b393 | +|*CHCHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar |2.0G |9e5912df6f7b11706d1046cdb9e3087e | +|*CCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/39.tar |2.1G |7bcae43cee451306e34ec416588a7f09 | +|*CHOCHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar |2.0G |f98866d08fe3451ae7ebc47bb51599aa | +|*COCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar |1.4G |bfaf689e5827fcf26c51e567bb8dd1be | +|*COHCHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar |2.0G |236fe4e950aa2fbdde94ef2821fb48d2 | +|*OCHCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar |2.1G |66acc5460a999625c3364f0f3bcca871 | +|*COHCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar |2.1G |bb4a01956736399c8cee5e219f8c1229 | +|*CHOHCH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar |2.1G |e836de4ec146b1b611533f1ef682cace | +|*CHCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar |2.0G |66df44121806debef6dc038df7115d1d | +|*OCH2CHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar |2.2G |ff6981fdbcd2e65d351505c15d218d76 | +|*CHOCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar |2.1G |448f7d352ab6e32f754e24de64ca302a | +|*COHCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar |2.1G |8bff6bf3e10cc84acc4a283a375fcc23 | +|*CHOHCHOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar |2.0G |9c9e4d617d306751760a80f1453e71f1 | +|*CH2CH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar |2.0G |ec1e964d2ee6f468fa5773743e3994a4 | +|*OCH2CH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar |2.1G |d297b27b02822f9b6af80bdb64aee819 | +|*CHOHCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar |2.1G |368de083dafdc3bbdb560d35e2a102c0 | +|*CH2CH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar |2.1G |3c1aaf790659f7ff89bf1eed8b396b63 | +|*CHOHCH2OH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar |2.2G |2d71adb9e305e6f3bca49e5df9b5a86a | +|*OHCH2CH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar |2.3G |cf51128f8522b7b66fc68d79980d6def | +|*NH2N(CH3)2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar |1.6G |36ba974d80c20ff636431f7c0ad225da | +|*ONN(CH3)2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar |2.3G |fdc4cd19977496909d61be4aee61c4f1 | +|*OHNNCH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar |2.1G |50a6ff098f9ba7adbba9ac115726cc5a | +|*ONH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar |1.8G |47573199c545afe46c554ff756c3e38f | +|*NHNH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar |1.7G |dd456b7e19ef592d9f0308d911b91d7c | +|*N*NH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar |1.6G |c05289fd56d64c74306ebf57f1061318 | +|*NO2NO2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar |2.1G |4822a06f6c5f41bdefd3cbbd8856c11f | +|*N*NO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar |1.6G |2a27de122d32917cc5b6ac0a21c63c1c | +|*N2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar |1.5G |cc668fecf679b6edaac8fd8fb9cdd404 | +|*ONNH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar |2.1G |dff880f1a5baa7f67b52fd3ed745443d | +|*NH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar |1.6G |c7f383b50faa6244e265c9611466cb8f | +|*NH3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar |1.9G |2b355741f9300445703270e0e4b8c01c | +|*NONH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar |1.8G |48877a0c6f2994baac82cb722711aaa2 | +|*NH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar |1.4G |7979b9e7ab557d6979b33e352486f0ef | +|*NO2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar |1.7G |9f352fbc32bb2b8caf4788aba28b2eb7 | +|*NO |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar |1.4G |482ee306a5ae2eee78cac40d10059ebc | +|*N |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar |1.1G |bfb6e03d4a687987ff68976f0793cc46 | +|*NO3 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar |1.8G |700834326e789a6e38bf3922d9fcb792 | +|*OHNH2 |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar |2.1G |fa24472e0c02c34d91f3ffe6b77bfb11 | +|*ONOH |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar |1.4G |4ddcccd62a834a76fe6167461f512529 | +|*CN |https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar |1.5G |bc7c55330ece006d09496a5ff01d5d50 | + + +Note - A few adsorbates are intentionally left out for the test splits. + +Downloading any of the above and extracting will result in a folder: + +`/` + +* `system.txt` Text file containing information about the different adsorbate+catalyst system names. In total there are N systems. More details described below. +* `/` + * This contains N compressed trajectory files of the format `.extxyz.xz`. + * Files are named as `.extxyz.xz` (where `system_id` is defined below). + + +where, `` can be 0 to 81. N is dependent on which adsorbate index is chosen. + + + +The file `system.txt` has information in the following format: +`system_id,reference_energy` + +where: + +* `system_id `- Internal random ID corresponding to an adsorbate+catalyst system. +* `reference_energy` - Energy used to reference system energies to bare catalyst+gas reference energies. Used for adsorption energy calculations. + + +The `.extxyz.xz` files are LZMA compressed `.extxyz` trajectory files. Each trajectory corresponds to a relaxation trajectory of a different adsorbate+catalyst system. Information about the `.extxyz` trajectory file format may be found at https://wiki.fysik.dtu.dk/ase/ase/io/formatoptions.html#extxyz. + +In order to uncompress the files, `uncompress.py` provides a multi-core implementation which could be used. diff --git a/_sources/core/FAQ.md b/_sources/core/FAQ.md new file mode 100644 index 000000000..b0f84c8e7 --- /dev/null +++ b/_sources/core/FAQ.md @@ -0,0 +1,119 @@ +# Frequently Asked Questions + +If you don't find your question answered here, please feel free to [file a GitHub issue](https://github.com/open-catalyst-project/ocp/issues) or [post on the discussion board](https://discuss.opencatalystproject.org/). + +## Models + +### Are predictions from OCP models deterministic? + +By deterministic, we mean that multiple calls to the same function, given +the same inputs (and seed), will produce the same results. + +On CPU, all operations should be deterministic. On GPU, `scatter` calls -- which +are used in the node aggregation functions to get the final energy -- +are non-deterministic, since the order of parallel operations is not uniquely +determined [[1](https://pytorch.org/docs/stable/generated/torch.Tensor.scatter_.html), +[2](https://pytorch-scatter.readthedocs.io/en/latest/functions/scatter.html)]. +Moreover, results may be different between GPU and CPU +executions [[3](https://pytorch.org/docs/stable/notes/randomness.html)]. + +To get deterministic results on GPU, use [`torch.use_deterministic_algorithms`](https://pytorch.org/docs/stable/generated/torch.use_deterministic_algorithms.html#torch.use_deterministic_algorithms) +where available (for example, see [`scatter_det`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/common/utils.py#L1112)). Note that deterministic operations are often slower +than non-deterministic operations, so while this may be worth using for testing +and debugging, this is not recommended for large-scale training and inference. + +### How do I train a model on OC20 total energies? + +By default, the OC20 S2EF/IS2RE LMDBs have adsorption energies, i.e. the DFT +total energies minus the clean surface and gas phase adsorbate energies. + +In order to train a model on DFT total energies, set the following flags in the +YAML config: + +```yaml +task: + ... + # To train on OC20 total energies, use the 'oc22_lmdb' dataset class. + dataset: oc22_lmdb + ... + +dataset: + train: + ... + # To train on OC20 total energies, a path to OC20 reference energies + # `oc20_ref` must be specified to unreference existing data. + train_on_oc20_total_energies: True + oc20_ref: path/to/oc20_ref.pkl + ... + val: + ... + train_on_oc20_total_energies: True + oc20_ref: path/to/oc20_ref.pkl + ... +``` + +The OC20 reference pickle file containing the energy necessary to convert +adsorption energy values to total energy is [available for download +here](https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md#oc20-reference-information). + +To test if your setup is correct, try the following: + +```python +from ocpmodels.datasets import OC22LmdbDataset + +dset = OC22LmdbDataset({ + "src": "path/to/oc20/lmdb/folder/", + "train_on_oc20_total_energies": True, + "oc20_ref": "path/to/oc20_ref.pkl", +}) + +print(dset[0]) +# Data(y=-181.54722937, ...) -- total DFT energies are usually quite high! +``` + +Another option that might be useful for training on total energies is passing +precomputed per-element average energies with [`lin_ref`](https://github.com/Open-Catalyst-Project/ocp/blob/faq/configs/s2ef/example.yml#L94-L97). If you use this option, make sure to recompute the +[normalizer statistics (for energies)](https://github.com/Open-Catalyst-Project/ocp/blob/faq/configs/s2ef/example.yml#L82-L83) +_after_ linear referencing. + +### I'm trying to run GemNet-OC / GemNet-dT, but it throws an error that scaling factors are not fitted. What should I do? + +GemNet-OC and GemNet-dT make use of empirical scaling factors that are fit on a +few batches of data prior to training in order to stabilize the variance of +activations. See [Sec. 6 in the GemNet paper](https://arxiv.org/abs/2106.08903) +for more details on this. + +We provide some set of scaling factors as part of the `ocp` codebase that you +can reuse by passing the `scale_file` parameter in the YAML config. For example: +* GemNet-dT [scaling factors](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/scaling_factors/gemnet-dT.json) and [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-dT.yml#L32) +* GemNet-OC [scaling factors](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/scaling_factors/gemnet-oc.pt) and [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-oc.yml#L45) + +If you change any of the model architecture hyperparameters or the dataset, you +should refit these scaling factors: + +```bash +python ocpmodels/modules/scaling/fit.py \ + --config-yml path/to/my/config.yml \ + --checkpoint path/to/save/checkpoint.pt \ + --mode train +``` + +This will recalculate the scaling factors and save them in a checkpoint file +`path/to/save/checkpoint.pt`, that you can then load and launch training from: + +```bash +python main.py \ + --config-yml path/to/my/config.yml \ + --checkpoint path/to/save/checkpoint.pt \ + --mode train +``` + +### I'm trying to run GemNet-OC on my data, but it errors out on `sph_basis = self.spherical_basis(cosφ_cab, θ_cabd)`. + +This is likely a tagging issue -- GemNet-OC computes quadruplet interactions +for atoms tagged as 1 and 2 +([see code](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/gemnet_oc/gemnet_oc.py#L1020)). +In OC20 parlance, `tag==1` refers to surface atoms and `tag==2` refers to +adsorbate atoms. If all the atoms are tagged as 0 (check `atoms.get_tags()`), +no quadruplets are computed, and part of the GemNet-OC forward pass fails. +Having some atoms tagged as 1 or 2 in your structure should fix it. diff --git a/_sources/core/INSTALL.md b/_sources/core/INSTALL.md new file mode 100644 index 000000000..04df9863f --- /dev/null +++ b/_sources/core/INSTALL.md @@ -0,0 +1,51 @@ +## Installation + +- We'll use `conda` to install dependencies and set up the environment. +We recommend using the [Python 3.9 Miniconda installer](https://docs.conda.io/en/latest/miniconda.html#linux-installers). +- After installing `conda`, install [`mamba`](https://mamba.readthedocs.io/en/latest/) to the base environment. `mamba` is a faster, drop-in replacement for `conda`: + ```bash + conda install mamba -n base -c conda-forge + ``` +- Also install `conda-merge` to the base environment: + ```bash + conda install conda-merge -n base -c conda-forge + ``` + +Next, follow the instructions for [GPU](#gpu-machines) or [CPU](#cpu-only-machines) machines depending on your hardware to create a new environment named `ocp-models` and install dependencies. + +### GPU machines + +Instructions are for PyTorch 1.13.1, CUDA 11.6 specifically. + +- First, check that CUDA is in your `PATH` and `LD_LIBRARY_PATH`, e.g. + ```bash + $ echo $PATH | tr ':' '\n' | grep cuda + /public/apps/cuda/11.6/bin + + $ echo $LD_LIBRARY_PATH | tr ':' '\n' | grep cuda + /public/apps/cuda/11.6/lib64 + ``` + The exact paths may differ on your system. +- Then install the dependencies: + ```bash + conda-merge env.common.yml env.gpu.yml > env.yml + mamba env create -f env.yml + ``` + Activate the conda environment with `conda activate ocp-models`. +- Install the `ocp` package with `pip install -e .`. +- Finally, install the pre-commit hooks: + ```bash + pre-commit install + ``` + +### CPU-only machines + +Please skip the following if you completed the with-GPU installation from above. + +```bash +conda-merge env.common.yml env.cpu.yml > env.yml +mamba env create -f env.yml +conda activate ocp-models +pip install -e . +pre-commit install +``` diff --git a/_sources/core/LICENSE.md b/_sources/core/LICENSE.md new file mode 100644 index 000000000..8ea9d2bfd --- /dev/null +++ b/_sources/core/LICENSE.md @@ -0,0 +1,23 @@ +# License + +MIT License + +Copyright (c) Facebook, Inc. and its affiliates. + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. diff --git a/_sources/core/MODELS.md b/_sources/core/MODELS.md new file mode 100644 index 000000000..37c34619a --- /dev/null +++ b/_sources/core/MODELS.md @@ -0,0 +1,179 @@ +# Pretrained OCP models + +This page summarizes all the pretrained models released as part of the [Open Catalyst Project](https://opencatalystproject.org/). All models were trained using this codebase. + + +* [Open Catalyst 2020 (OC20)](#open-catalyst-2020-oc20) + * [S2EF models optimized for EFwT](#s2ef-models-optimized-for-efwt) + * [S2EF models optimized for force](#s2ef-models-optimized-for-force-only) + * [IS2RE models](#is2re-models) +* [Open Catalyst 2022 (OC22)](#open-catalyst-2022-oc22) + * [S2EF total models](#s2ef-total-models) +* [Open Direct Air Capture 2023 (ODAC23)](#open-direct-air-capture-2023-odac23) + * [S2EF models](#s2ef-models) + * [IS2RE Direct models](#is2re-direct-models) + +* * * + + +# Open Catalyst 2020 (OC20) + +* All configurations for these models are available in the [`configs/`](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs) directory. +* All of these models are trained on various splits of the OC20 S2EF / IS2RE datasets. For details, see [https://arxiv.org/abs/2010.09990](https://arxiv.org/abs/2010.09990) and https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md. +* All OC20 models are trained on adsorption energies, i.e. the DFT total energies minus the clean surface and gas phase adsorbate energies. For details on how to train models on OC20 total energies, please read the [referencing section here](https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md#oc20-reference-information). + +## S2EF models: optimized for EFwT + +|Model |Split |Download |val ID force MAE (eV / Å) |val ID EFwT | +|--- |--- |--- |--- |--- | +|CGCNN |200k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_200k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/200k/cgcnn/cgcnn.yml) |0.08 |0% | +|CGCNN |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/cgcnn/cgcnn.yml) |0.0673 |0.01% | +|CGCNN |20M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_20M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/20M/cgcnn/cgcnn.yml) |0.065 |0% | +|CGCNN |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/cgcnn/cgcnn.yml) |0.0684 |0.01% | +|DimeNet |200k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/dimenet_200k.pt) |0.0693 |0.01% | +|DimeNet |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/dimenet_2M.pt) |0.0576 |0.02% | +|SchNet |200k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_200k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/200k/schnet/schnet.yml) |0.0743 |0% | +|SchNet |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/schnet/schnet.yml) |0.0737 |0% | +|SchNet |20M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_20M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/20M/schnet/schnet.yml) |0.0568 |0.03% | +|SchNet |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_all_large.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/schnet/schnet.yml) |0.0494 |0.12% | +|DimeNet++ |200k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_200k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/200k/dimenet_plus_plus/dpp.yml) |0.0741 |0% | +|DimeNet++ |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/dimenet_plus_plus/dpp.yml) |0.0595 |0.01% | +|DimeNet++ |20M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_20M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/20M/dimenet_plus_plus/dpp.yml) |0.0511 |0.06% | +|DimeNet++ |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/dimenet_plus_plus/dpp.yml) |0.0444 |0.12% | +|SpinConv |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_12/s2ef/spinconv_force_centric_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/spinconv/spinconv_force.yml) |0.0329 |0.18% | +|SpinConv |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_08/s2ef/spinconv_force_centric_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/spinconv/spinconv_force.yml) |0.0267 |1.02% | +|GemNet-dT |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_12/s2ef/gemnet_t_direct_h512_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/gemnet/gemnet-dT.yml) |0.0257 |1.10% | +|GemNet-dT |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_08/s2ef/gemnet_t_direct_h512_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-dT.yml) |0.0211 |2.21% | +|PaiNN |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_05/s2ef/painn_h512_s2ef_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/painn/painn_h512.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/painn/painn_nb6_scaling_factors.pt) |0.0294 |0.91% | +|GemNet-OC |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_base_s2ef_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/gemnet/gemnet-oc.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/481f3a5a92dc787384ddae9fe3f50f5d932712fd/configs/s2ef/all/gemnet/scaling_factors/gemnet-oc.pt) |0.0225 |2.12% | +|GemNet-OC |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_base_s2ef_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-oc.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/481f3a5a92dc787384ddae9fe3f50f5d932712fd/configs/s2ef/all/gemnet/scaling_factors/gemnet-oc.pt) |0.0179 |4.56% | +|GemNet-OC |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/gemnet_oc_base_s2ef_all_md.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-oc.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/481f3a5a92dc787384ddae9fe3f50f5d932712fd/configs/s2ef/all/gemnet/scaling_factors/gemnet-oc.pt) |0.0173 |4.72% | +|GemNet-OC-Large |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_large_s2ef_all_md.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/gemnet/gemnet-oc-large.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/481f3a5a92dc787384ddae9fe3f50f5d932712fd/configs/s2ef/all/gemnet/scaling_factors/gemnet-oc-large.pt) |0.0164 |5.34% | +|SCN |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_t1_b1_s2ef_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/scn/scn-t1-b1.yml) |0.0216 |1.68% | +|SCN-t4-b2 |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_t4_b2_s2ef_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/scn/scn-t4-b2.yml) |0.0193 |2.68% | +|SCN |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_all_md_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/scn/scn-all-md.yml) |0.0160 |5.08% | +|eSCN-L4-M2-Lay12 |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l4_m2_lay12_2M_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/escn/eSCN-L4-M2-Lay12.yml) |0.0191 |2.55% | +|eSCN-L6-M2-Lay12 |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m2_lay12_2M_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/escn/eSCN-L6-M2-Lay12.yml) |0.0186 |2.66% | +|eSCN-L6-M2-Lay12 |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m2_lay12_all_md_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/escn/eSCN-L6-M2-Lay12-All-MD.yml) |0.0161 |4.28% | +|eSCN-L6-M3-Lay20 |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m3_lay20_all_md_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/escn/eSCN-L6-M3-Lay20-All-MD.yml) |0.0139 |6.64% | +|EquiformerV2 (83M) |2M |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_83M_2M.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/2M/equiformer_v2/equiformer_v2_N@12_L@6_M@2.yml) |0.0167 |4.26% | +|EquiformerV2 (31M) |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_31M_ec4_allmd.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/equiformer_v2/equiformer_v2_N@8_L@4_M@2_31M.yml) |0.0142 |6.20% | +|EquiformerV2 (153M) |All+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_153M_ec4_allmd.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/equiformer_v2/equiformer_v2_N@20_L@6_M@3_153M.yml) |0.0126 |8.90% | + +## S2EF models: optimized for force only + +|Model |Split |Download |val ID force MAE | +|--- |--- |--- |--- | +|SchNet |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_all_forceonly.pt) |0.0443 | +|DimeNet++ |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/dimenetpp_all_forceonly.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/dimenet_plus_plus/dpp_forceonly.yml) |0.0334 | +|DimeNet++-Large |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_large_all_forceonly.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/dimenet_plus_plus/dpp10.7M_forceonly.yml) |0.02825 | +|DimeNet++ |20M+Rattled |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_20M_rattled_forceonly.pt) |0.0614 | +|DimeNet++ |20M+MD |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_20M_md_forceonly.pt) |0.0594 | + +## IS2RE models + +|Model |Split |Download |val ID energy MAE | +|--- |--- |--- |--- | +|CGCNN |10k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/cgcnn_10k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/10k/cgcnn/cgcnn.yml) |0.9881 | +|CGCNN |100k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/cgcnn_100k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/100k/cgcnn/cgcnn.yml) |0.682 | +|CGCNN |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/cgcnn_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/all/cgcnn/cgcnn.yml) |0.6199 | +|DimeNet |10k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/is2re/dimenet_10k.pt) |1.0117 | +|DimeNet |100k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/is2re/dimenet_100k.pt) |0.6658 | +|DimeNet |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/is2re/dimenet_all.pt) |0.5999 | +|SchNet |10k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/schnet_10k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/10k/schnet/schnet.yml) |1.059 | +|SchNet |100k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/schnet_100k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/100k/schnet/schnet.yml) |0.7137 | +|SchNet |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/schnet_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/all/schnet/schnet.yml) |0.6458 | +|DimeNet++ |10k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/dimenetpp_10k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/10k/dimenet_plus_plus/dpp.yml) |0.8837 | +|DimeNet++ |100k |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/dimenetpp_100k.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/100k/dimenet_plus_plus/dpp.yml) |0.6388 | +|DimeNet++ |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/is2re/dimenetpp_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/all/dimenet_plus_plus/dpp.yml) |0.5639 | +|PaiNN |All |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_05/is2re/painn_h1024_bs4x8_is2re_all.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/is2re/all/painn/painn_h1024_bs8x4.yml) \| [scale file](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/s2ef/all/painn/painn_nb6_scaling_factors.pt) |0.5728 | + +The Open Catalyst 2020 (OC20) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the +OC20 dataset or pretrained models, as well as the original paper for each model: + +```bibtex +@article{ocp_dataset, + author = {Chanussot*, Lowik and Das*, Abhishek and Goyal*, Siddharth and Lavril*, Thibaut and Shuaibi*, Muhammed and Riviere, Morgane and Tran, Kevin and Heras-Domingo, Javier and Ho, Caleb and Hu, Weihua and Palizhati, Aini and Sriram, Anuroop and Wood, Brandon and Yoon, Junwoong and Parikh, Devi and Zitnick, C. Lawrence and Ulissi, Zachary}, + title = {Open Catalyst 2020 (OC20) Dataset and Community Challenges}, + journal = {ACS Catalysis}, + year = {2021}, + doi = {10.1021/acscatal.0c04525}, +} +``` + +# Open Catalyst 2022 (OC22) + +* All configurations for these models are available in the [`configs/oc22`](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/oc22) directory. +* All of these models are trained on various splits of the OC22 S2EF / IS2RE datasets. For details, see [https://arxiv.org/abs/2206.08917](https://arxiv.org/abs/2206.08917) and https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md. +* All OC22 models released here are trained on DFT total energies, in contrast to the OC20 models listed above, which are trained on adsorption energies. + + +## S2EF-Total models + +|Model |Training |Download |val ID force MAE |val ID energy MAE | +|--- |--- |--- |--- |--- | +|GemNet-dT | OC22 |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gndt_oc22_all_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/gemnet-dt/gemnet-dT.yml) |0.032 |1.127 | +|GemNet-OC | OC22 |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_oc22_all_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/gemnet-oc/gemnet_oc.yml) |0.030 |0.563 | +|GemNet-OC | OC20+OC22 |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_oc22_oc20_all_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/gemnet-oc/gemnet_oc_oc20_oc22.yml) |0.027 |0.483 | +|GemNet-OC
(trained with `enforce_max_neighbors_strictly=False`, [#467](https://github.com/Open-Catalyst-Project/ocp/pull/467)) | OC20+OC22 |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_05/oc22/s2ef/gnoc_oc22_oc20_all_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/gemnet-oc/gemnet_oc_oc20_oc22_degen_edges.yml) |0.027 |0.458 | +|GemNet-OC | OC20->OC22 |[checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_finetune_all_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/gemnet-oc/gemnet_oc_finetune.yml) |0.030 |0.417 | +|EquiformerV2 ($\lambda_E$=4, $\lambda_F$=100) | OC22 | [checkpoint](https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_10/oc22/s2ef/eq2_121M_e4_f100_oc22_s2ef.pt) \| [config](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/equiformer_v2/equiformer_v2_N@18_L@6_M@2_e4_f100_121M.yml) | 0.023 | 0.447 + +The Open Catalyst 2022 (OC22) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the +OC22 dataset or pretrained models, as well as the original paper for each model: + +```bibtex +@article{oc22_dataset, + author = {Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence}, + title = {The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts}, + journal = {ACS Catalysis}, + year={2023}, +} +``` + +## Open Direct Air Capture 2023 (ODAC23) + +* All config files for the ODAC23 models are available in the [`configs/odac`](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac) directory. + +## S2EF models + +|Model |Checkpoint | Config | +|--- |--- |--- | +|SchNet | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/Schnet.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/schnet.yml) | +|DimeNet++ | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/DimenetPP.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/dpp.yml) | +|PaiNN | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/PaiNN.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/painn.yml) | +|GemNet-OC | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/Gemnet-OC.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/gemnet-oc.yml) | +|eSCN | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/eSCN.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/eSCN.yml) | +|EquiformerV2 | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231116/eqv2_31M.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/eqv2_31M.yml) | +|EquiformerV2 (Large) | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/Equiformer_V2_Large.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/s2ef/eqv2_153M.yml) | + +## IS2RE Direct models + +|Model |Checkpoint | Config | +|--- |--- | --- | +|Gemnet-OC (Direct) | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/Gemnet-OC_Direct.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/is2re/gemnet-oc.yml) | +|eSCN (Direct) | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/eSCN_Direct.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/is2re/eSCN.yml) | +|EquiformerV2 (Direct) | [checkpoint](https://dl.fbaipublicfiles.com/dac/checkpoints_20231018/Equiformer_V2_Direct.pt) | [config](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/odac/is2re/eqv2_31M.yml) | + +The models in the table above were trained to predict relaxed energy directly. Relaxed energies can also be predicted by running structural relaxations using the S2EF models from the previous section. + +## IS2RS + +The IS2RS is solved by running structural relaxations using the S2EF models from the prior section. + +The Open DAC 2023 (ODAC23) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode). + +Please consider citing the following paper in any research manuscript using the ODAC23 dataset: + +```bibtex +@article{odac23_dataset, + author = {Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl}, + title = {The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture}, + year = {2023}, + journal={arXiv preprint arXiv:2311.00341}, +} +``` diff --git a/_sources/core/README.md b/_sources/core/README.md new file mode 100644 index 000000000..d2271dc2a --- /dev/null +++ b/_sources/core/README.md @@ -0,0 +1,101 @@ +# `ocp` by Open Catalyst Project + +[![CircleCI](https://circleci.com/gh/Open-Catalyst-Project/ocp.svg?style=shield)](https://circleci.com/gh/Open-Catalyst-Project/ocp) +[![codecov](https://codecov.io/gh/Open-Catalyst-Project/ocp/graph/badge.svg?token=M606LH5LK6)](https://codecov.io/gh/Open-Catalyst-Project/ocp) + +`ocp` is the [Open Catalyst Project](https://opencatalystproject.org/)'s +library of state-of-the-art machine learning algorithms for catalysis. + +
+ +
+ +It provides training and evaluation code for tasks and models that take arbitrary +chemical structures as input to predict energies / forces / positions / stresses, +and can be used as a base scaffold for research projects. For an overview of +tasks, data, and metrics, please read our papers: + - [OC20](https://arxiv.org/abs/2010.09990) + - [OC22](https://arxiv.org/abs/2206.08917) + - [ODAC23](https://arxiv.org/abs/2311.00341) + +Projects and models built on `ocp`: + +- SchNet [[`arXiv`](https://arxiv.org/abs/1706.08566)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/schnet.py)] +- DimeNet++ [[`arXiv`](https://arxiv.org/abs/2011.14115)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/dimenet_plus_plus.py)] +- GemNet-dT [[`arXiv`](https://arxiv.org/abs/2106.08903)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet)] +- PaiNN [[`arXiv`](https://arxiv.org/abs/2102.03150)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/painn)] +- Graph Parallelism [[`arXiv`](https://arxiv.org/abs/2203.09697)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet_gp)] +- GemNet-OC [[`arXiv`](https://arxiv.org/abs/2204.02782)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet_oc)] +- SCN [[`arXiv`](https://arxiv.org/abs/2206.14331)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/scn)] +- AdsorbML [[`arXiv`](https://arxiv.org/abs/2211.16486)] [[`code`](https://github.com/open-catalyst-project/adsorbml)] +- eSCN [[`arXiv`](https://arxiv.org/abs/2302.03655)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/escn)] +- EquiformerV2 [[`arXiv`](https://arxiv.org/abs/2306.12059)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/equiformer_v2)] + +Older model implementations that are no longer supported: + +- CGCNN [[`arXiv`](https://arxiv.org/abs/1710.10324)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/e7a8745eb307e8a681a1aa9d30c36e8c41e9457e/ocpmodels/models/cgcnn.py)] +- DimeNet [[`arXiv`](https://arxiv.org/abs/2003.03123)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/e7a8745eb307e8a681a1aa9d30c36e8c41e9457e/ocpmodels/models/dimenet.py)] +- SpinConv [[`arXiv`](https://arxiv.org/abs/2106.09575)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/e7a8745eb307e8a681a1aa9d30c36e8c41e9457e/ocpmodels/models/spinconv.py)] +- ForceNet [[`arXiv`](https://arxiv.org/abs/2103.01436)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/e7a8745eb307e8a681a1aa9d30c36e8c41e9457e/ocpmodels/models/forcenet.py)] + + +## Installation + +See [installation instructions](https://github.com/Open-Catalyst-Project/ocp/blob/main/INSTALL.md). + +## Download data + +Dataset download links and instructions are in [DATASET.md](https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md). + +## Train and evaluate models + +A detailed description of how to train and evaluate models, run ML-based +relaxations, and generate EvalAI submission files can be found in +[TRAIN.md](https://github.com/Open-Catalyst-Project/ocp/blob/main/TRAIN.md). + +Our evaluation server is [hosted on EvalAI](https://eval.ai/web/challenges/challenge-page/712/overview). +Numbers (in papers, etc.) should be reported from the evaluation server. + +Interactive tutorial notebooks can be found +[here](https://github.com/Open-Catalyst-Project/ocp/tree/main/tutorials) to +get familiar with various components of the codebase. + +## Pretrained model weights + +We provide several pretrained model weights for download +[here](https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md). + +## Discussion + +For all non-codebase related questions and to keep up-to-date with the latest OCP +announcements, please join the [discussion board](https://discuss.opencatalystproject.org/). + +All code-related questions and issues should be posted directly on our +[issues page](https://github.com/Open-Catalyst-Project/ocp/issues). +Make sure to first go through the [FAQ](https://github.com/Open-Catalyst-Project/ocp/tree/main/FAQ.md) +to check if your question's answered already. + +## Acknowledgements + +- This codebase was initially forked from [CGCNN](https://github.com/txie-93/cgcnn) +by [Tian Xie](http://txie.me), but has undergone significant changes since. +- A lot of engineering ideas have been borrowed from [github.com/facebookresearch/mmf](https://github.com/facebookresearch/mmf). +- The DimeNet++ implementation is based on the [author's Tensorflow implementation](https://github.com/klicperajo/dimenet) and the [DimeNet implementation in Pytorch Geometric](https://github.com/rusty1s/pytorch_geometric/blob/master/torch_geometric/nn/models/dimenet.py). + +## License + +`ocp` is released under the [MIT](https://github.com/Open-Catalyst-Project/ocp/blob/main/LICENSE.md) license. + +## Citing `ocp` + +If you use this codebase in your work, please consider citing: + +```bibtex +@article{ocp_dataset, + author = {Chanussot*, Lowik and Das*, Abhishek and Goyal*, Siddharth and Lavril*, Thibaut and Shuaibi*, Muhammed and Riviere, Morgane and Tran, Kevin and Heras-Domingo, Javier and Ho, Caleb and Hu, Weihua and Palizhati, Aini and Sriram, Anuroop and Wood, Brandon and Yoon, Junwoong and Parikh, Devi and Zitnick, C. Lawrence and Ulissi, Zachary}, + title = {Open Catalyst 2020 (OC20) Dataset and Community Challenges}, + journal = {ACS Catalysis}, + year = {2021}, + doi = {10.1021/acscatal.0c04525}, +} +``` diff --git a/_sources/core/TRAIN.md b/_sources/core/TRAIN.md new file mode 100644 index 000000000..03719e23d --- /dev/null +++ b/_sources/core/TRAIN.md @@ -0,0 +1,461 @@ +# Training and evaluating models on OCP datasets + +- [Getting Started](#getting-started) +- [OC20](#oc20) + - [Initial Structure to Relaxed Energy (IS2RE)](#initial-structure-to-relaxed-energy-prediction-is2re) + - [IS2RE Relaxations](#is2re-relaxations) + - [Structure to Energy and Forces (S2EF)](#structure-to-energy-and-forces-s2ef) + - [Training OC20 models with total energies (IS2RE/S2EF)](#training-oc20-models-with-total-energies-is2res2ef) + - [Overriding YAML config parameters from the command line](#overriding-yaml-config-parameters-from-the-command-line) + - [Initial Structure to Relaxed Structure (IS2RS)](#initial-structure-to-relaxed-structure-is2rs) + - [Create EvalAI submission files](#create-evalai-oc20-submission-files) + - [S2EF/IS2RE](#s2efis2re) + - [IS2RS](#is2rs) +- [OC22](#oc22) + - [Initial Structure to Total Relaxed Energy (IS2RE-Total)](#initial-structure-to-total-relaxed-energy-is2re-total) + - [Structure to Total Energy and Forces (S2EF-Total)](#structure-to-total-energy-and-forces-s2ef-total) + - [Joint Training](#joint-training) + - [Create EvalAI submission files](#create-evalai-oc22-submission-files) + - [S2EF-Total/IS2RE-Total](#s2ef-totalis2re-total) +- [Using Your Own Data](#using-your-own-data) + - [Writing an LMDB](#writing-an-lmdb) + - [Using an ASE Database](#using-an-ase-database) + - [Using ASE-Readable Files](#using-ase-readable-files) + - [Single-Structure Files](#single-structure-files) + - [Multi-Structure Files](#multi-structure-files) + +## Getting Started + +The [Open Catalyst Project](https://opencatalystproject.org/) consists of three +distinct tasks: +- Initial Structure to Relaxed Energy prediction (IS2RE) +- Structure to Energy and Forces (S2EF) +- Initial Structure to Relaxed Structure (IS2RS) + +This document is a tutorial for training and evaluating models +for each of these tasks as well as generating submission files for the +[evaluation server hosted on EvalAI](https://eval.ai/web/challenges/challenge-page/712/overview). + +`main.py` serves as the entry point to run any task. This script requires two command line +arguments at a minimum: +* `--mode MODE`: MODE can be `train`, `predict` or `run-relaxations` to train a model, make predictions +using an existing model, or run machine learning based relaxations using an existing model, respectively. +* `--config-yml PATH`: PATH is the path to a YAML configuration file. We use YAML files to supply all +parameters to the script. The `configs` directory contains a number of example config files. + +Running `main.py` directly runs the model on a single CPU or GPU if one is available: +``` +python main.py --mode train --config-yml configs/TASK/SIZE/MODEL/MODEL.yml +``` +If you have multiple +GPUs, you can use distributed data parallel training by running: +``` +python -u -m torch.distributed.launch --nproc_per_node=8 main.py --distributed --num-gpus 8 [...] +``` +`torch.distributed.launch` launches multiple processes for distributed training. For more details, refer to +https://pytorch.org/docs/stable/distributed.html#launch-utility + +If training with multiple GPUs, GPU load balancing may be used to evenly distribute a batch of variable system sizes across GPUs. Load balancing may either balance by number of atoms or number of neighbors. A `metadata.npz` file must be available in the dataset directory to take advantage of this feature. The following command will generate a `metadata.npz` file and place it in the corresponding directory. +``` +python scripts/make_lmdb_sizes.py --data-path data/s2ef/train/2M --num-workers 8 +``` +Load balancing is activated by default (in atoms mode). To change modes you can specify the following in your config: +``` +optim: + load_balancing: neighbors +``` +For more details, refer to https://github.com/Open-Catalyst-Project/ocp/pull/267. + +If you have access to a slurm cluster, we use the [submitit](https://github.com/facebookincubator/submitit) package to simplify multi-node distributed training: +``` +python main.py --distributed --num-gpus 8 --num-nodes 6 --submit [...] +``` + +In the rest of this tutorial, we explain how to train models for each task. + +# OC20 + +## Initial Structure to Relaxed Energy prediction (IS2RE) + +In the IS2RE tasks, the model takes the initial structure as an input and predicts the structure’s adsorption energy +in the relaxed state. To train a model for the IS2RE task, you can use the `EnergyTrainer` +Trainer and `SinglePointLmdb` dataset by specifying the following in your configuration file: + +```yaml +trainer: energy # Use the EnergyTrainer + +dataset: + # Train data + train: + src: [Path to training data] + normalize_labels: True + # Mean and standard deviation of energies + target_mean: -0.969171404838562 + target_std: 1.3671793937683105 + # Val data (optional) + val: + src: [Path to validation data] + # Test data (optional) + test: + src: [Path to test data] +``` +You can find examples configuration files in [`configs/is2re`](https://github.com/Open-Catalyst-Project/ocp/tree/master/configs/is2re). + +To train a SchNet model for the IS2RE task on the 10k split, run: +```bash +python main.py --mode train --config-yml configs/is2re/10k/schnet/schnet.yml +``` + +Training logs are stored in `logs/tensorboard/[TIMESTAMP]` where `[TIMESTAMP]` is +the starting time-stamp of the run. You can monitor the training process by running: +```bash +tensorboard --logdir logs/tensorboard/[TIMESTAMP] +``` +At the end of training, the model checkpoint is stored in `checkpoints/[TIMESTAMP]/checkpoint.pt`. + +Next, run this model on the test data: +```bash +python main.py --mode predict --config-yml configs/is2re/10k/schnet/schnet.yml \ + --checkpoint checkpoints/[TIMESTAMP]/checkpoint.pt +``` +The predictions are stored in `[RESULTS_DIR]/is2re_predictions.npz` and later used to create a submission file to be uploaded to EvalAI. + +### IS2RE Relaxations + +Alternatively, the IS2RE task may be approached by 2 methods as described in our paper: + +- Single Model: Relaxed energy predictions are extracted from relaxed structures generated via ML relaxations from a single model. + + 1. Train a S2EF model on both energy and forces as described [here](https://github.com/Open-Catalyst-Project/ocp/blob/master/TRAIN.md#structure-to-energy-and-forces-s2ef) + 2. Using the trained S2EF model, run ML relaxations as described [here](https://github.com/Open-Catalyst-Project/ocp/blob/master/TRAIN.md#initial-structure-to-relaxed-structure-is2rs). Ensure `traj_dir` is uniquely specified in the config as to save out the full trajectory. A sample config can be found [here](https://github.com/Open-Catalyst-Project/ocp/blob/master/configs/s2ef/2M/dimenet_plus_plus/dpp_relax.yml). ** Note ** Relaxations on the complete val/test set may take upwards of 8hrs depending on your available hardware. + 3. Prepare a submission file by running the following command: + ``` + python scripts/make_submission_file.py --id path/to/id/traj_dir \ + --ood-ads path/to/ood_ads/traj_dir --ood-cat path/to/ood_cat/traj_dir \ + --ood-both path/to/ood_both/traj_dir --out-path submission_file.npz --is2re-relaxations + ``` +- Dual Model: Relaxed energy predictions are extracted from relaxed structures generated via ML relaxations from two models - one for running relaxations and one for making energy predictions. + 1. Train two S2EF models, energy-only and force-only. + 2. Using the trained force-only S2EF model, run ML relaxations as described previously. Ensure `traj_dir` is uniquely specified in the config as to save out the full trajectory. **Note** Relaxations on the complete val/test set may take upwards of 8hrs depending on your available hardware. + 3. In order to make predictions via the energy-only model on the generated trajectories, LMDBs must be constructed via the following command: + ``` + python scripts/preprocess_relaxed.py --id path/to/id/traj_dir \ + --ood-ads path/to/ood_ads/traj_dir --ood-cat path/to/ood_cat/traj_dir \ + --ood-both path/to/ood_both/traj_dir --out-path $DIR --num-workers $NUM_WORKERS + ``` + Where `$DIR` specifies the directory to save generated LMDBs. A sub-directory will be created for each of the 4 splits in `$DIR`. `$NUM_WORKERS` is the number of data preprocessing cpu workers to be used. + 4. Update your energy-only config to point the test set to the newly generated LMDBs. Using the trained energy-only S2EF model, generate predictions via `--mode predict` (as you would do for the general IS2RE/S2EF case). + 5. Prepare a submission file by running the following command: + ``` + python scripts/make_submission_file.py --id path/to/id/s2ef_predictions.npz \ + --ood-ads path/to/ood_ads/s2ef_predictions.npz --ood-cat path/to/ood_cat/s2ef_predictions.npz \ + --ood-both path/to/ood_both/s2ef_predictions.npz --out-path submission_file.npz \ + --is2re-relaxations --hybrid + ``` +## Structure to Energy and Forces (S2EF) + +In the S2EF task, the model takes the positions of the atoms as input and predicts the adsorption energy and per-atom +forces as calculated by DFT. To train a model for the S2EF task, you can use the `ForcesTrainer` Trainer +and `TrajectoryLmdb` dataset by specifying the following in your configuration file: + +```yaml +trainer: forces # Use the ForcesTrainer + +dataset: + # Training data + train: + src: [Path to training data] + normalize_labels: True + # Mean and standard deviation of energies + target_mean: -0.7586356401443481 + target_std: 2.981738567352295 + # Mean and standard deviation of forces + grad_target_mean: 0.0 + grad_target_std: 2.981738567352295 + # Val data (optional) + val: + src: [Path to validation data] + # Test data (optional) + test: + src: [Path to test data] +``` +You can find examples configuration files in [`configs/s2ef`](https://github.com/Open-Catalyst-Project/ocp/tree/master/configs/s2ef). + +To train a SchNet model for the S2EF task on the 2M split using 2 GPUs, run: + +```bash +python -u -m torch.distributed.launch --nproc_per_node=2 main.py \ + --mode train --config-yml configs/s2ef/2M/schnet/schnet.yml --num-gpus 2 --distributed +``` +Similar to the IS2RE task, tensorboard logs are stored in `logs/tensorboard/[TIMESTAMP]` and the +checkpoint is stored in `checkpoints/[TIMESTAMP]/checkpoint.pt`. + +Next, run this model on the test data: + +```bash +python main.py --mode predict --config-yml configs/s2ef/2M/schnet/schnet.yml \ + --checkpoint checkpoints/[TIMESTAMP]/checkpoint.pt +``` +The predictions are stored in `[RESULTS_DIR]/s2ef_predictions.npz` and later used to create a submission file to be uploaded to EvalAI. + +## Training OC20 models with total energies (IS2RE/S2EF) + +To train and validate an OC20 IS2RE/S2EF model on total energies instead of adsorption energies there are a number of required changes to the config. They include setting: `dataset: oc22_lmdb`, `prediction_dtype: float32`, `train_on_oc20_total_energies: True`, and `oc20_ref: path/to/oc20_ref.pkl` (see example below). Also, please note that our evaluation server does not currently support OC20 total energy models. + +```yaml +task: + prediction_dtype: float32 + ... + +dataset: + format: oc22_lmdb + train: + src: data/oc20/s2ef/train + normalize_labels: False + train_on_oc20_total_energies: True + # download at https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl + oc20_ref: path/to/oc20_ref.pkl + val: + src: data/oc20/s2ef/val_id + train_on_oc20_total_energies: True + oc20_ref: path/to/oc20_ref.pkl +``` + +## Overriding YAML config parameters from the command line + +There is some support for specifying arguments from the command line, such that +they would override any parameter from the YAML configuration file. The parser +for this relies on the [nesting level being correctly specified using a `.` +separator](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/common/utils.py#L357). + +For example, to override the training dataset path via a command line argument: + +```bash +python main.py \ + --mode train + --config-yml configs/s2ef/2M/schnet/schnet.yml \ + --dataset.train.src=path/to/my/dataset/ +``` + +Or to update the initial learning rate: + +```bash +python main.py \ + --mode train + --config-yml configs/s2ef/2M/schnet/schnet.yml \ + --optim.lr_initial=3e-4 +``` + +## Initial Structure to Relaxed Structure (IS2RS) + +In the IS2RS task the model takes as input an initial structure and predicts the atomic positions in their +final, relaxed state. This can be done by training a model to predict per-atom forces similar to the S2EF +task and then running an iterative relaxation. Although we present an iterative approach, models that directly predict relaxed states are also possible. The iterative approach IS2RS task uses the same configuration files as the S2EF task `configs/s2ef` and follows the same training scheme above. + +To perform an iterative relaxation, ensure the following is added to the configuration files of the models you wish to run relaxations on: +```yaml +# Relaxation options +relax_dataset: + src: data/is2re/all/val_id/data.lmdb # path to lmdb of systems to be relaxed (uses same lmdbs as is2re) +write_pos: True +relaxation_steps: 300 +relax_opt: + maxstep: 0.04 + memory: 50 + damping: 1.0 + alpha: 70.0 + traj_dir: "trajectories" # specify directory you wish to log the entire relaxations, suppress otherwise +``` + +After training, relaxations can be run by: +```bash +python main.py --mode run-relaxations --config-yml configs/s2ef/2M/schnet/schnet.yml \ + --checkpoint checkpoints/[TIMESTAMP]/checkpoint.pt +``` +The relaxed structure positions are stored in `[RESULTS_DIR]/relaxed_positions.npz` and later used to create a submission file to be uploaded to EvalAI. Predicted trajectories are stored in `trajectories` directory for those interested in analyzing the complete relaxation trajectory. + +## Create EvalAI OC20 submission files + +EvalAI expects results to be structured in a specific format for a submission to be successful. A submission must contain results from the 4 different splits - in distribution (id), out of distribution adsorbate (ood ads), out of distribution catalyst (ood cat), and out of distribution adsorbate and catalyst (ood both). Constructing the submission file for each of the above tasks is as follows: + +### S2EF/IS2RE: +1. Run predictions `--mode predict` on all 4 splits, generating `[s2ef/is2re]_predictions.npz` files for each split. +2. Run the following command: + ```bash + python make_submission_file.py --id path/to/id/file.npz --ood-ads path/to/ood_ads/file.npz \ + --ood-cat path/to/ood_cat/file.npz --ood-both path/to/ood_both/file.npz --out-path submission_file.npz + ``` + Where `file.npz` corresponds to the respective `[s2ef/is2re]_predictions.npz` files generated for the corresponding task. The final submission file will be written to `submission_file.npz` (rename accordingly). +3. Upload `submission_file.npz` to EvalAI. + + +### IS2RS: +1. Ensure `write_pos: True` is included in your configuration file. Run relaxations `--mode run-relaxations` on all 4 splits, generating `relaxed_positions.npz` files for each split. +2. Run the following command: + ```bash + python make_submission_file.py --id path/to/id/relaxed_positions.npz --ood-ads path/to/ood_ads/relaxed_positions.npz \ + --ood-cat path/to/ood_cat/relaxed_positions.npz --ood-both path/to/ood_both/relaxed_positions.npz --out-path is2rs_submission.npz + ``` + The final submission file will be written to `is2rs_submission.npz` (rename accordingly). +3. Upload `is2rs_submission.npz` to EvalAI. + +# OC22 + +## Initial Structure to Total Relaxed Energy (IS2RE-Total) + +For the IS2RE-Total task, the model takes the initial structure as input and predicts the total DFT energy of the relaxed structure. This task is more general and more challenging than the original OC20 IS2RE task that predicts adsorption energy. To train an OC22 IS2RE-Total model use the `EnergyTrainer` with the `OC22LmdbDataset` by including these lines in your configuration file: + +```yaml +trainer: energy # Use the EnergyTrainer + +dataset: + format: oc22_lmdb # Use the OC22LmdbDataset + ... +``` +You can find examples configuration files in [`configs/oc22/is2re`](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/oc22/is2re). + +## Structure to Total Energy and Forces (S2EF-Total) + +The S2EF-Total task takes a structure and predicts the total DFT energy and per-atom forces. This differs from the original OC20 S2EF task because it predicts total energy instead of adsorption energy. To train an OC22 S2EF-Total model use the ForcesTrainer with the OC22LmdbDataset by including these lines in your configuration file: + +```yaml +trainer: forces # Use the ForcesTrainer + +dataset: + format: oc22_lmdb # Use the OC22LmdbDataset + ... +``` +You can find examples configuration files in [`configs/oc22/s2ef`](https://github.com/Open-Catalyst-Project/ocp/tree/main/configs/oc22/s2ef). + +## Joint Training + +Training on OC20 total energies whether independently or jointly with OC22 requires a path to the `oc20_ref` (download link provided below) to be specified in the configuration file. These are necessary to convert OC20 adsorption energies into their corresponding total energies. The following changes in the configuration file capture these changes: + +```yaml +dataset: + format: oc22_lmdb + ... + +dataset: + train: + src: data/oc20+oc22/s2ef/train + normalize_labels: False + train_on_oc20_total_energies: True + #download at https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl + oc20_ref: path/to/oc20_ref.pkl + val: + src: data/oc22/s2ef/val_id + train_on_oc20_total_energies: True + oc20_ref: path/to/oc20_ref.pkl +``` + +You can find an example configuration file at [configs/oc22/s2ef/base_joint.yml](https://github.com/Open-Catalyst-Project/ocp/blob/main/configs/oc22/s2ef/base_joint.yml) + +## Create EvalAI OC22 submission files + +EvalAI expects results to be structured in a specific format for a submission to be successful. A submission must contain results from the 2 different splits - in distribution (id) and out of distribution (ood). Construct submission files for the OC22 S2EF-Total/IS2RE-Total tasks as follows: + +### S2EF-Total/IS2RE-Total: +1. Run predictions `--mode predict` on both the id and ood splits, generating `[s2ef/is2re]_predictions.npz` files for each split. +2. Run the following command: + ```bash + python make_submission_file.py --dataset OC22 --id path/to/id/file.npz --ood path/to/ood_ads/file.npz --out-path submission_file.npz + ``` + Where `file.npz` corresponds to the respective `[s2ef/is2re]_predictions.npz` files generated for the corresponding task. The final submission file will be written to `submission_file.npz` (rename accordingly). The `dataset` argument specifies which dataset is being considered — this only needs to be set for OC22 predictions because OC20 is the default. +3. Upload `submission_file.npz` to EvalAI. + + +# Using Your Own Data + +There are multiple ways to train and evaluate OCP models on data other than OC20 and OC22. Writing an LMDB is the most performant option. However, ASE-based dataset formats are also included as a convenience for people with existing data who simply want to try OCP tools without needing to learn about LMDBs. + +This tutorial will briefly discuss the basic use of these dataset formats. For more detailed information about the ASE datasets, see the [source code and docstrings](ocpmodels/datasets/ase_datasets.py). + +## Writing an LMDB + +Storing your data in an LMDB ensures very fast random read speeds for the fastest supported throughput. This is the recommended option for the majority of OCP use cases. For more information about writing your data to an LMDB, please see the [LMDB Dataset Tutorial](https://github.com/Open-Catalyst-Project/ocp/blob/main/tutorials/lmdb_dataset_creation.ipynb). + +## Using an ASE Database + +If your data is already in an [ASE Database](https://databases.fysik.dtu.dk/ase/ase/db/db.html), no additional preprocessing is necessary before running training/prediction! Although the ASE DB backends may not be sufficiently high throughput for all use cases, they are generally considered "fast enough" to train on a reasonably-sized dataset with 1-2 GPUs or predict with a single GPU. If you want to effictively utilize more resources than this, please be aware of the potential for this bottleneck and consider writing your data to an LMDB. If your dataset is small enough to fit in CPU memory, use the `keep_in_memory: True` option to avoid this bottleneck. + +To use this dataset, we will just have to change our config files to use the ASE DB Dataset rather than the LMDB Dataset: + +```yaml +dataset: + format: ase_db + train: + src: # The path/address to your ASE DB + connect_args: + # Keyword arguments for ase.db.connect() + select_args: + # Keyword arguments for ase.db.select() + # These can be used to query/filter the ASE DB + a2g_args: + r_energy: True + r_forces: True + # Set these if you want to train on energy/forces + # Energy/force information must be in the ASE DB! + keep_in_memory: False # Keeping the dataset in memory reduces random reads and is extremely fast, but this is only feasible for relatively small datasets! + include_relaxed_energy: False # Read the last structure's energy and save as "y_relaxed" for IS2RE-Direct training + val: + src: + a2g_args: + r_energy: True + r_forces: True + test: + src: + a2g_args: + r_energy: False + r_forces: False + # It is not necessary to have energy or forces if you are just making predictions. +``` +## Using ASE-Readable Files + +It is possible to train/predict directly on ASE-readable files. This is only recommended for smaller datasets, as directories of many small files do not scale efficiently on all computing infrastructures. There are two options for loading data with the ASE reader: + +### Single-Structure Files +This dataset assumes a single structure will be obtained from each file: + +```yaml +dataset: + format: ase_read + train: + src: # The folder that contains ASE-readable files + pattern: # Pattern matching each file you want to read (e.g. "*/POSCAR"). Search recursively with two wildcards: "**/*.cif". + include_relaxed_energy: False # Read the last structure's energy and save as "y_relaxed" for IS2RE-Direct training + + ase_read_args: + # Keyword arguments for ase.io.read() + a2g_args: + # Include energy and forces for training purposes + # If True, the energy/forces must be readable from the file (ex. OUTCAR) + r_energy: True + r_forces: True + keep_in_memory: False +``` + +### Multi-structure Files +This dataset supports reading files that each contain multiple structure (for example, an ASE .traj file). Using an index file, which tells the dataset how many structures each file contains, is recommended. Otherwise, the dataset is forced to load every file at startup and count the number of structures! + +```yaml +dataset: + format: ase_read_multi + train: + index_file: Filepath to an index file which contains each filename and the number of structures in each file. e.g.: + /path/to/relaxation1.traj 200 + /path/to/relaxation2.traj 150 + ... + + # If using an index file, the src and pattern are not necessary + src: # The folder that contains ASE-readable files + pattern: # Pattern matching each file you want to read (e.g. "*.traj"). Search recursively with two wildcards: "**/*.xyz". + + ase_read_args: + # Keyword arguments for ase.io.read() + a2g_args: + # Include energy and forces for training purposes + r_energy: True + r_forces: True + keep_in_memory: False +``` diff --git a/_sources/tutorial/NRR/NRR_example-gemnet.md b/_sources/tutorial/NRR/NRR_example-gemnet.md new file mode 100644 index 000000000..defa79b7a --- /dev/null +++ b/_sources/tutorial/NRR/NRR_example-gemnet.md @@ -0,0 +1,430 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Using OCP to enumerate adsorbates on alloy catalyst surfaces +====================================================== + +In the previous example, we constructed slab models of adsorbates on desired sites. Here we leverage code to automate this process. The goal in this section is to generate candidate structures, compute energetics, and then filter out the most relevant ones. + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import ase.io +from ase.optimize import BFGS +import sys +from scipy.stats import linregress +import pickle +import matplotlib.pyplot as plt +import time + +from ocdata.core import Adsorbate, AdsorbateSlabConfig, Bulk, Slab +import os +from glob import glob +import pandas as pd +from ocdata.utils import DetectTrajAnomaly +``` + +```{code-cell} ipython3 +%run ../ocp-tutorial.ipynb + +checkpoint = get_checkpoint('GemNet-OC-Large All+MD') +checkpoint +``` + +# Introduction + +We will reproduce Fig 6b from the following paper: Zhou, Jing, et al. "Enhanced Catalytic Activity of Bimetallic Ordered Catalysts for Nitrogen Reduction Reaction by Perturbation of Scaling Relations." ACS Catalysis 134 (2023): 2190-2201 (https://doi.org/10.1021/acscatal.2c05877). + +The gist of this figure is a correlation between H* and NNH* adsorbates across many different alloy surfaces. Then, they identify a dividing line between these that separates surfaces known for HER and those known for NRR. + +To do this, we will enumerate adsorbate-slab configurations and run ML relaxations on them to find the lowest energy configuration. We will assess parity between the model predicted values and those reported in the paper. Finally we will make the figure and assess separability of the NRR favored and HER favored domains. + ++++ + +# Enumerate the adsorbate-slab configurations to run relaxations on + ++++ + +Be sure to set the path in `ocdata/configs/paths.py` to point to the correct place or pass the paths as an argument. The database pickles can be found in `ocdata/databases/pkls`. We will show one explicitly here as an example and then run all of them in an automated fashion for brevity. + +```{code-cell} ipython3 +import ocdata +from pathlib import Path +db = Path(ocdata.__file__).parent / Path('databases/pkls/adsorbates.pkl') +db +``` + +## Work out a single example + +We load one bulk id, create a bulk reference structure from it, then generate the surfaces we want to compute. + +```{code-cell} ipython3 +bulk_src_id = "oqmd-343039" +adsorbate_smiles_nnh = "*N*NH" +adsorbate_smiles_h = "*H" + +bulk = Bulk(bulk_src_id_from_db = bulk_src_id, bulk_db_path="NRR_example_bulks.pkl") +adsorbate_H = Adsorbate(adsorbate_smiles_from_db = adsorbate_smiles_h, adsorbate_db_path=db) +adsorbate_NNH = Adsorbate(adsorbate_smiles_from_db = adsorbate_smiles_nnh, adsorbate_db_path=db) +slab = Slab.from_bulk_get_specific_millers(bulk= bulk, specific_millers = (1, 1, 1)) +slab +``` + +We now need to generate potential placements. We use two kinds of guesses, a heuristic and a random approach. This cell generates 13 potential adsorption geometries. + +```{code-cell} ipython3 +# Perform heuristic placements +heuristic_adslabs = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="heuristic") + +# Perform random placements +# (for AdsorbML we use `num_sites = 100` but we will use 4 for brevity here) +random_adslabs = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="random_site_heuristic_placement", num_sites=4) + +adslabs = [*heuristic_adslabs.atoms_list, *random_adslabs.atoms_list] +len(adslabs) +``` + +Let's see what we are looking at. It is a little tricky to see the tiny H atom in these figures, but with some inspection you can see there are ontop, bridge, and hollow sites in different places. This is not an exhaustive search; you can increase the number of random placements to check more possibilities. The main idea here is to *increase* the probability you find the most relevant sites. + +```{code-cell} ipython3 +import matplotlib.pyplot as plt +from ase.visualize.plot import plot_atoms + +fig, axs = plt.subplots(4, 4) + +for i, slab in enumerate(adslabs): + plot_atoms(slab, axs[i % 4, i // 4]); + axs[i % 4, i // 4].set_axis_off() + +for i in range(16): + axs[i % 4, i // 4].set_axis_off() + +plt.tight_layout() +``` + +### Run an ML relaxation + +We will use an ASE compatible calculator to run these. + ++++ + +Running the model with BFGS prints at each relaxation step which is a lot to print. So we will just run one to demonstrate what happens on each iteration. + +```{code-cell} ipython3 +os.makedirs(f"data/{bulk_src_id}_{adsorbate_smiles_h}", exist_ok=True) + +# Define the calculator +calc = OCPCalculator(checkpoint=checkpoint, cpu=False) # if you have a GPU +# calc = OCPCalculator(checkpoint=checkpoint_path, cpu=True) # If you have CPU only +``` + +Now we setup and run the relaxation. + +```{code-cell} ipython3 +t0 = time.time() +os.makedirs(f"data/{bulk_src_id}_H", exist_ok=True) +adslab = adslabs[0] +adslab.calc = calc +opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_H/test.traj") +opt.run(fmax=0.05, steps=100) + +print(f'Elapsed time {time.time() - t0:1.1f} seconds') +``` + +With a GPU this runs pretty quickly. It is much slower on a CPU. + ++++ + +# Run all the systems + +In principle you can run all the systems now. It takes about an hour though, and we leave that for a later exercise if you want. For now we will run the first two, and for later analysis we provide a results file of all the runs. Let's read in our reference file and take a look at what is in it. + +```{code-cell} ipython3 +with open("NRR_example_bulks.pkl", "rb") as f: + bulks = pickle.load(f) + +bulks +``` + +We have 19 bulk materials we will consider. Next we extract the `src-id` for each one. + +```{code-cell} ipython3 +bulk_ids = [row['src_id'] for row in bulks] +``` + +In theory you would run all of these, but it takes about an hour with a GPU. We provide the relaxation logs and trajectories in the repo for the next step. + +These steps are embarrassingly parallel, and can be launched that way to speed things up. The only thing you need to watch is that you don't exceed the available RAM, which will cause the Jupyter kernel to crash. + ++++ + +The goal here is to relax each candidate adsorption geometry and save the results in a trajectory file we will analyze later. Each trajectory file will have the geometry and final energy of the relaxed structure. + +It is somewhat time consuming to run this, so in this cell we only run one example. + +```{code-cell} ipython3 +import time +from tqdm import tqdm +tinit = time.time() + +for bulk_src_id in tqdm(bulk_ids[1:2]): + # Enumerate slabs and establish adsorbates + bulk = Bulk(bulk_src_id_from_db=bulk_src_id, bulk_db_path="NRR_example_bulks.pkl") + slab = Slab.from_bulk_get_specific_millers(bulk= bulk, specific_millers=(1, 1, 1)) + + # Perform heuristic placements + heuristic_adslabs_H = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="heuristic") + heuristic_adslabs_NNH = AdsorbateSlabConfig(slab[0], adsorbate_NNH, mode="heuristic") + + #Run relaxations + os.makedirs(f"data/{bulk_src_id}_H", exist_ok=True) + os.makedirs(f"data/{bulk_src_id}_NNH", exist_ok=True) + + print(f'{len(heuristic_adslabs_H.atoms_list)} H slabs to compute for {bulk_src_id}') + print(f'{len(heuristic_adslabs_NNH.atoms_list)} NNH slabs to compute for {bulk_src_id}') + + # Set up the calculator + for idx, adslab in enumerate(heuristic_adslabs_H.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_H/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_H/{idx}.traj", logfile=f"data/{bulk_src_id}_H/{idx}.log") + opt.run(fmax=0.05, steps=20) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_H/{idx}') + + for idx, adslab in enumerate(heuristic_adslabs_NNH.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_NNH/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_NNH/{idx}.traj", logfile=f"data/{bulk_src_id}_NNH/{idx}.log") + opt.run(fmax=0.05, steps=50) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_NNH/{idx}') + +print(f'Elapsed time: {time.time() - tinit:1.1f} seconds') +``` + +This cell runs all the examples. I don't recommend you run this during the workshop. Instead, we have saved the results for the subsequent analyses so you can skip this one. + +```{code-cell} ipython3 +:tags: [hide-output] + +import time +from tqdm import tqdm +tinit = time.time() + +for bulk_src_id in tqdm(bulk_ids): + # Enumerate slabs and establish adsorbates + bulk = Bulk(bulk_src_id_from_db=bulk_src_id, bulk_db_path="NRR_example_bulks.pkl") + slab = Slab.from_bulk_get_specific_millers(bulk= bulk, specific_millers=(1, 1, 1)) + + # Perform heuristic placements + heuristic_adslabs_H = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="heuristic") + heuristic_adslabs_NNH = AdsorbateSlabConfig(slab[0], adsorbate_NNH, mode="heuristic") + + #Run relaxations + os.makedirs(f"data/{bulk_src_id}_H", exist_ok=True) + os.makedirs(f"data/{bulk_src_id}_NNH", exist_ok=True) + + print(f'{len(heuristic_adslabs_H.atoms_list)} H slabs to compute for {bulk_src_id}') + print(f'{len(heuristic_adslabs_NNH.atoms_list)} NNH slabs to compute for {bulk_src_id}') + + # Set up the calculator + for idx, adslab in enumerate(heuristic_adslabs_H.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_H/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_H/{idx}.traj", logfile=f"data/{bulk_src_id}_H/{idx}.log") + opt.run(fmax=0.05, steps=20) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_H/{idx}') + + for idx, adslab in enumerate(heuristic_adslabs_NNH.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_NNH/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_NNH/{idx}.traj", logfile=f"data/{bulk_src_id}_NNH/{idx}.log") + opt.run(fmax=0.05, steps=50) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_NNH/{idx}') + +print(f'Elapsed time: {time.time() - tinit:1.1f} seconds') +``` + +# Parse the trajectories and post-process + +As a post-processing step we check to see if: + +1. the adsorbate desorbed +2. the adsorbate disassociated +3. the adsorbate intercalated +4. the surface has changed + +We check these because they affect our referencing scheme and may result in energies that don't mean what we think, e.g. they aren't just adsorption, but include contributions from other things like desorption, dissociation or reconstruction. For (4), the relaxed surface should really be supplied as well. It will be necessary when correcting the SP / RX energies later. Since we don't have it here, we will ommit supplying it, and the detector will instead compare the initial and final slab from the adsorbate-slab relaxation trajectory. If a relaxed slab is provided, the detector will compare it and the slab after the adsorbate-slab relaxation. The latter is more correct! + +In this loop we find the most stable (most negative) adsorption energy for each adsorbate on each surface and save them in a DataFrame. + +```{code-cell} ipython3 +# Iterate over trajs to extract results +min_E = [] +for file_outer in glob("data/*"): + ads = file_outer.split("_")[1] + bulk = file_outer.split("/")[1].split("_")[0] + results = [] + for file in glob(f"{file_outer}/*.traj"): + rx_id = file.split("/")[-1].split(".")[0] + traj = ase.io.read(file, ":") + + # Check to see if the trajectory is anomolous + detector = DetectTrajAnomaly(traj[0], traj[-1], traj[0].get_tags()) + anom = ( + detector.is_adsorbate_dissociated() + or detector.is_adsorbate_desorbed() + or detector.has_surface_changed() + or detector.is_adsorbate_intercalated() + ) + rx_energy = traj[-1].get_potential_energy() + results.append({"relaxation_idx": rx_id, "relaxed_atoms": traj[-1], + "relaxed_energy_ml": rx_energy, "anomolous": anom}) + df = pd.DataFrame(results) + + df = df[~df.anomolous].copy().reset_index() + min_e = min(df.relaxed_energy_ml.tolist()) + min_E.append({"adsorbate":ads, "bulk_id":bulk, "min_E_ml": min_e}) + +df = pd.DataFrame(min_E) +df_h = df[df.adsorbate == "H"] +df_nnh = df[df.adsorbate == "NNH"] +df_flat = df_h.merge(df_nnh, on = "bulk_id") +``` + +# Make parity plots for values obtained by ML v. reported in the paper + +```{code-cell} ipython3 +# Add literature data to the dataframe +with open("literature_data.pkl", "rb") as f: + literature_data = pickle.load(f) +df_all = df_flat.merge(pd.DataFrame(literature_data), on = "bulk_id") +``` + +```{code-cell} ipython3 +f, (ax1, ax2) = plt.subplots(1, 2, sharey=True) +f.set_figheight(15) +x = df_all.min_E_ml_x.tolist() +y = df_all.E_lit_H.tolist() +ax1.set_title("*H parity") +ax1.plot([-3.5, 2], [-3.5, 2], "k-", linewidth=3) +slope, intercept, r, p, se = linregress(x, y) +ax1.plot( + [-3.5, 2], + [ + -3.5 * slope + intercept, + 2 * slope + intercept, + ], + "k--", + linewidth=2, +) + +ax1.legend( + [ + "y = x", + f"y = {slope:1.2f} x + {intercept:1.2f}, R-sq = {r**2:1.2f}", + ], + loc="upper left", +) +ax1.scatter(x, y) +ax1.axis("square") +ax1.set_xlim([-3.5, 2]) +ax1.set_ylim([-3.5, 2]) +ax1.set_xlabel("dE predicted OCP [eV]") +ax1.set_ylabel("dE NRR paper [eV]"); + + +x = df_all.min_E_ml_y.tolist() +y = df_all.E_lit_NNH.tolist() +ax2.set_title("*N*NH parity") +ax2.plot([-3.5, 2], [-3.5, 2], "k-", linewidth=3) +slope, intercept, r, p, se = linregress(x, y) +ax2.plot( + [-3.5, 2], + [ + -3.5 * slope + intercept, + 2 * slope + intercept, + ], + "k--", + linewidth=2, +) + +ax2.legend( + [ + "y = x", + f"y = {slope:1.2f} x + {intercept:1.2f}, R-sq = {r**2:1.2f}", + ], + loc="upper left", +) +ax2.scatter(x, y) +ax2.axis("square") +ax2.set_xlim([-3.5, 2]) +ax2.set_ylim([-3.5, 2]) +ax2.set_xlabel("dE predicted OCP [eV]") +ax2.set_ylabel("dE NRR paper [eV]"); +f.set_figwidth(15) +f.set_figheight(7) +``` + +# Make figure 6b and compare to literature results + +```{code-cell} ipython3 +f, (ax1, ax2) = plt.subplots(1, 2, sharey=True) +x = df_all[df_all.reaction == "HER"].min_E_ml_y.tolist() +y = df_all[df_all.reaction == "HER"].min_E_ml_x.tolist() +comp = df_all[df_all.reaction == "HER"].composition.tolist() + +ax1.scatter(x, y,c= "r", label = "HER") +for i, txt in enumerate(comp): + ax1.annotate(txt, (x[i], y[i])) + +x = df_all[df_all.reaction == "NRR"].min_E_ml_y.tolist() +y = df_all[df_all.reaction == "NRR"].min_E_ml_x.tolist() +comp = df_all[df_all.reaction == "NRR"].composition.tolist() +ax1.scatter(x, y,c= "b", label = "NRR") +for i, txt in enumerate(comp): + ax1.annotate(txt, (x[i], y[i])) + + +ax1.legend() +ax1.set_xlabel("dE *N*NH predicted OCP [eV]") +ax1.set_ylabel("dE *H predicted OCP [eV]") + + +x = df_all[df_all.reaction == "HER"].E_lit_NNH.tolist() +y = df_all[df_all.reaction == "HER"].E_lit_H.tolist() +comp = df_all[df_all.reaction == "HER"].composition.tolist() + +ax2.scatter(x, y,c= "r", label = "HER") +for i, txt in enumerate(comp): + ax2.annotate(txt, (x[i], y[i])) + +x = df_all[df_all.reaction == "NRR"].E_lit_NNH.tolist() +y = df_all[df_all.reaction == "NRR"].E_lit_H.tolist() +comp = df_all[df_all.reaction == "NRR"].composition.tolist() +ax2.scatter(x, y,c= "b", label = "NRR") +for i, txt in enumerate(comp): + ax2.annotate(txt, (x[i], y[i])) + +ax2.legend() +ax2.set_xlabel("dE *N*NH literature [eV]") +ax2.set_ylabel("dE *H literature [eV]") +f.set_figwidth(15) +f.set_figheight(7) +``` + +# Next steps + +Next we consider [fine-tuning](../fine-tuning/fine-tuning-oxides.ipynb). diff --git a/_sources/tutorial/NRR/NRR_example.md b/_sources/tutorial/NRR/NRR_example.md new file mode 100644 index 000000000..5fac58cfa --- /dev/null +++ b/_sources/tutorial/NRR/NRR_example.md @@ -0,0 +1,379 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Using OCP to enumerate adsorbates on catalyst surfaces +====================================================== + +In the previous example, we constructed slab models of adsorbates on desired sites. Here we leverage code to automate this process. The goal in this section is to generate candidate structures, compute energetics, and then filter out the most relevant ones. + +In this section we use one of the more recent models `escn`. + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import ase.io +from ase.optimize import BFGS +import sys +from scipy.stats import linregress +import pickle +import matplotlib.pyplot as plt +import time + +from ocdata.core import Adsorbate, AdsorbateSlabConfig, Bulk, Slab +import os +from glob import glob +import pandas as pd +from ocdata.utils import DetectTrajAnomaly +``` + +# Introduction + +We will reproduce Fig 6b from the following paper: Zhou, Jing, et al. "Enhanced Catalytic Activity of Bimetallic Ordered Catalysts for Nitrogen Reduction Reaction by Perturbation of Scaling Relations." ACS Catalysis 134 (2023): 2190-2201 (https://doi.org/10.1021/acscatal.2c05877). + +The gist of this figure is a correlation between H* and NNH* adsorbates across many different alloy surfaces. Then, they identify a dividing line between these that separates surfaces known for HER and those known for NRR. + +To do this, we will enumerate adsorbate-slab configurations and run ML relaxations on them to find the lowest energy configuration. We will assess parity between the model predicted values and those reported in the paper. Finally we will make the figure and assess separability of the NRR favored and HER favored domains. + ++++ + +# Enumerate the adsorbate-slab configurations to run relaxations on + ++++ + +Be sure to set the path in `ocdata/configs/paths.py` to point to the correct place or pass the paths as an argument. The database pickles can be found in `ocdata/databases/pkls`. We will show one explicitly here as an example and then run all of them in an automated fashion for brevity. + +```{code-cell} ipython3 +import ocdata +from pathlib import Path +db = Path(ocdata.__file__).parent / Path('databases/pkls/adsorbates.pkl') +db +``` + +## Work out a single example + +We load one bulk id, create a bulk reference structure from it, then generate the surfaces we want to compute. + +```{code-cell} ipython3 +bulk_src_id = "oqmd-343039" +adsorbate_smiles_nnh = "*N*NH" +adsorbate_smiles_h = "*H" + +bulk = Bulk(bulk_src_id_from_db = bulk_src_id, bulk_db_path="NRR_example_bulks.pkl") +adsorbate_H = Adsorbate(adsorbate_smiles_from_db = adsorbate_smiles_h, adsorbate_db_path=db) +adsorbate_NNH = Adsorbate(adsorbate_smiles_from_db = adsorbate_smiles_nnh, adsorbate_db_path=db) +slab = Slab.from_bulk_get_specific_millers(bulk= bulk, specific_millers = (1, 1, 1)) +slab +``` + +We now need to generate potential placements. We use two kinds of guesses, a heuristic and a random approach. This cell generates 13 potential adsorption geometries. + +```{code-cell} ipython3 +# Perform heuristic placements +heuristic_adslabs = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="heuristic") + +# Perform random placements +# (for AdsorbML we use `num_sites = 100` but we will use 4 for brevity here) +random_adslabs = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="random_site_heuristic_placement", num_sites=4) + +adslabs = [*heuristic_adslabs.atoms_list, *random_adslabs.atoms_list] +len(adslabs) +``` + +Let's see what we are looking at. It is a little tricky to see the tiny H atom in these figures, but with some inspection you can see there are ontop, bridge, and hollow sites in different places. This is not an exhaustive search; you can increase the number of random placements to check more possibilities. The main idea here is to *increase* the probability you find the most relevant sites. + +```{code-cell} ipython3 +import matplotlib.pyplot as plt +from ase.visualize.plot import plot_atoms + +fig, axs = plt.subplots(4, 4) + +for i, slab in enumerate(adslabs): + plot_atoms(slab, axs[i % 4, i // 4]); + axs[i % 4, i // 4].set_axis_off() + +for i in range(16): + axs[i % 4, i // 4].set_axis_off() + +plt.tight_layout() +``` + +### Run an ML relaxation + +There are 2 options for how to do this. + 1. Using `OCPCalculator` as the calculator within the ASE framework + 2. By writing objects to lmdb and relaxing them using `main.py` in the ocp repo + +(1) is really only adequate for small stuff and it is what we will show here, but if you plan to run many relaxations, you should definitely use (2). More details about writing lmdbs has been provided [here](https://github.com/Open-Catalyst-Project/ocp/blob/main/tutorials/lmdb_dataset_creation.ipynb) - follow the IS2RS/IS2RE instructions. And more information about running relaxations once the lmdb has been written is [here](https://github.com/Open-Catalyst-Project/ocp/blob/main/TRAIN.md#initial-structure-to-relaxed-structure-is2rs). + +You need to provide the calculator with a path to a model checkpoint file. That can be downloaded [here](https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md). + ++++ + +Running the model with BFGS prints at each relaxation step is a lot to print. So we will just run one to demonstrate what happens on each iteration. + +```{code-cell} ipython3 +checkpoint_path = "../escn_l6_m3_lay20_all_md_s2ef.pt" +os.makedirs(f"data/{bulk_src_id}_{adsorbate_smiles_h}", exist_ok=True) + +# Define the calculator +calc = OCPCalculator(checkpoint=checkpoint_path, cpu=False) # if you have a GPU +# calc = OCPCalculator(checkpoint=checkpoint_path, cpu=True) # If you have CPU only +``` + +Now we setup and run the relaxation. + +```{code-cell} ipython3 +t0 = time.time() +os.makedirs(f"data/{bulk_src_id}_H", exist_ok=True) +adslab = adslabs[0] +adslab.calc = calc +opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_H/test.traj") +opt.run(fmax=0.05, steps=100) + +print(f'Elapsed time {time.time() - t0:1.1f} seconds') +``` + +With a GPU this runs pretty quickly. It is much slower on a CPU. + ++++ + +# Run all the systems + +In principle you can run all the systems now. It takes about an hour though, and we leave that for a later exercise if you want. For now we will run the first two, and for later analysis we provide a results file of all the runs. Let's read in our reference file and take a look at what is in it. + +```{code-cell} ipython3 +with open("NRR_example_bulks.pkl", "rb") as f: + bulks = pickle.load(f) + +bulks +``` + +We have 19 bulk materials we will consider. Next we extract the `src-id` for each one. + +```{code-cell} ipython3 +bulk_ids = [row['src_id'] for row in bulks] +``` + +In theory you would run all of these, but it takes about an hour with a GPU. We provide the relaxation logs and trajectories in the repo for the next step. + +These steps are embarrassingly parallel, and can be launched that way to speed things up. The only thing you need to watch is that you don't exceed the available RAM, which will cause the Jupyter kernel to crash. + ++++ + +The goal here is to relax each candidate adsorption geometry and save the results in a trajectory file we will analyze later. Each trajectory file will have the geometry and final energy of the relaxed structure. This is a quite time-consuming task. + +```{code-cell} ipython3 +import time +from tqdm import tqdm +tinit = time.time() + +for bulk_src_id in tqdm(bulk_ids): + # Enumerate slabs and establish adsorbates + bulk = Bulk(bulk_src_id_from_db=bulk_src_id, bulk_db_path="NRR_example_bulks.pkl") + slab = Slab.from_bulk_get_specific_millers(bulk= bulk, specific_millers=(1, 1, 1)) + + # Perform heuristic placements + heuristic_adslabs_H = AdsorbateSlabConfig(slab[0], adsorbate_H, mode="heuristic") + heuristic_adslabs_NNH = AdsorbateSlabConfig(slab[0], adsorbate_NNH, mode="heuristic") + + #Run relaxations + os.makedirs(f"data/{bulk_src_id}_H", exist_ok=True) + os.makedirs(f"data/{bulk_src_id}_NNH", exist_ok=True) + + print(f'{len(heuristic_adslabs_H.atoms_list)} H slabs to compute for {bulk_src_id}') + print(f'{len(heuristic_adslabs_NNH.atoms_list)} NNH slabs to compute for {bulk_src_id}') + + # Set up the calculator + for idx, adslab in enumerate(heuristic_adslabs_H.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_H/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_H/{idx}.traj", logfile=f"data/{bulk_src_id}_H/{idx}.log") + opt.run(fmax=0.05, steps=20) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_H/{idx}') + + for idx, adslab in enumerate(heuristic_adslabs_NNH.atoms_list): + t0 = time.time() + adslab.calc = calc + print(f'Running data/{bulk_src_id}_NNH/{idx}') + opt = BFGS(adslab, trajectory=f"data/{bulk_src_id}_NNH/{idx}.traj", logfile=f"data/{bulk_src_id}_NNH/{idx}.log") + opt.run(fmax=0.05, steps=50) + print(f' Elapsed time: {time.time() - t0:1.1f} seconds for data/{bulk_src_id}_NNH/{idx}') + +print(f'Elapsed time: {time.time() - tinit:1.1f} seconds') +``` + +# Parse the trajectories and post-process + +As a post-processing step we check to see if: + +1. the adsorbate desorbed +2. the adsorbate disassociated +3. the adsorbate intercalated +4. the surface has changed + +We check these because they affect our referencing scheme and may result in energies that don't mean what we think, e.g. they aren't just adsorption, but include contributions from other things like desorption, dissociation or reconstruction. For (4), the relaxed surface should really be supplied as well. It will be necessary when correcting the SP / RX energies later. Since we don't have it here, we will ommit supplying it, and the detector will instead compare the initial and final slab from the adsorbate-slab relaxation trajectory. If a relaxed slab is provided, the detector will compare it and the slab after the adsorbate-slab relaxation. The latter is more correct! + +```{code-cell} ipython3 +# Iterate over trajs to extract results +min_E = [] +for file_outer in glob("data/*"): + ads = file_outer.split("_")[1] + bulk = file_outer.split("/")[1].split("_")[0] + results = [] + for file in glob(f"{file_outer}/*.traj"): + rx_id = file.split("/")[-1].split(".")[0] + traj = ase.io.read(file, ":") + + # Check to see if the trajectory is anomolous + detector = DetectTrajAnomaly(traj[0], traj[-1], traj[0].get_tags()) + anom = ( + detector.is_adsorbate_dissociated() + or detector.is_adsorbate_desorbed() + or detector.has_surface_changed() + or detector.is_adsorbate_intercalated() + ) + rx_energy = traj[-1].get_potential_energy() + results.append({"relaxation_idx": rx_id, "relaxed_atoms": traj[-1], + "relaxed_energy_ml": rx_energy, "anomolous": anom}) + df = pd.DataFrame(results) + + df = df[~df.anomolous].copy().reset_index() + min_e = min(df.relaxed_energy_ml.tolist()) + min_E.append({"adsorbate":ads, "bulk_id":bulk, "min_E_ml": min_e}) + +df = pd.DataFrame(min_E) +df_h = df[df.adsorbate == "H"] +df_nnh = df[df.adsorbate == "NNH"] +df_flat = df_h.merge(df_nnh, on = "bulk_id") +``` + +# Make parity plots for values obtained by ML v. reported in the paper + +```{code-cell} ipython3 +# Add literature data to the dataframe +with open("literature_data.pkl", "rb") as f: + literature_data = pickle.load(f) +df_all = df_flat.merge(pd.DataFrame(literature_data), on = "bulk_id") +``` + +```{code-cell} ipython3 +f, (ax1, ax2) = plt.subplots(1, 2, sharey=True) +f.set_figheight(15) +x = df_all.min_E_ml_x.tolist() +y = df_all.E_lit_H.tolist() +ax1.set_title("*H parity") +ax1.plot([-3.5, 2], [-3.5, 2], "k-", linewidth=3) +slope, intercept, r, p, se = linregress(x, y) +ax1.plot( + [-3.5, 2], + [ + -3.5 * slope + intercept, + 2 * slope + intercept, + ], + "k--", + linewidth=2, +) + +ax1.legend( + [ + "y = x", + f"y = {slope:1.2f} x + {intercept:1.2f}, R-sq = {r**2:1.2f}", + ], + loc="upper left", +) +ax1.scatter(x, y) +ax1.axis("square") +ax1.set_xlim([-3.5, 2]) +ax1.set_ylim([-3.5, 2]) +ax1.set_xlabel("dE predicted OCP [eV]") +ax1.set_ylabel("dE NRR paper [eV]"); + + +x = df_all.min_E_ml_y.tolist() +y = df_all.E_lit_NNH.tolist() +ax2.set_title("*N*NH parity") +ax2.plot([-3.5, 2], [-3.5, 2], "k-", linewidth=3) +slope, intercept, r, p, se = linregress(x, y) +ax2.plot( + [-3.5, 2], + [ + -3.5 * slope + intercept, + 2 * slope + intercept, + ], + "k--", + linewidth=2, +) + +ax2.legend( + [ + "y = x", + f"y = {slope:1.2f} x + {intercept:1.2f}, R-sq = {r**2:1.2f}", + ], + loc="upper left", +) +ax2.scatter(x, y) +ax2.axis("square") +ax2.set_xlim([-3.5, 2]) +ax2.set_ylim([-3.5, 2]) +ax2.set_xlabel("dE predicted OCP [eV]") +ax2.set_ylabel("dE NRR paper [eV]"); +f.set_figwidth(15) +f.set_figheight(7) +``` + +# Make figure 6b and compare to literature results + +```{code-cell} ipython3 +f, (ax1, ax2) = plt.subplots(1, 2, sharey=True) +x = df_all[df_all.reaction == "HER"].min_E_ml_y.tolist() +y = df_all[df_all.reaction == "HER"].min_E_ml_x.tolist() +comp = df_all[df_all.reaction == "HER"].composition.tolist() + +ax1.scatter(x, y,c= "r", label = "HER") +for i, txt in enumerate(comp): + ax1.annotate(txt, (x[i], y[i])) + +x = df_all[df_all.reaction == "NRR"].min_E_ml_y.tolist() +y = df_all[df_all.reaction == "NRR"].min_E_ml_x.tolist() +comp = df_all[df_all.reaction == "NRR"].composition.tolist() +ax1.scatter(x, y,c= "b", label = "NRR") +for i, txt in enumerate(comp): + ax1.annotate(txt, (x[i], y[i])) + + +ax1.legend() +ax1.set_xlabel("dE *N*NH predicted OCP [eV]") +ax1.set_ylabel("dE *H predicted OCP [eV]") + + +x = df_all[df_all.reaction == "HER"].E_lit_NNH.tolist() +y = df_all[df_all.reaction == "HER"].E_lit_H.tolist() +comp = df_all[df_all.reaction == "HER"].composition.tolist() + +ax2.scatter(x, y,c= "r", label = "HER") +for i, txt in enumerate(comp): + ax2.annotate(txt, (x[i], y[i])) + +x = df_all[df_all.reaction == "NRR"].E_lit_NNH.tolist() +y = df_all[df_all.reaction == "NRR"].E_lit_H.tolist() +comp = df_all[df_all.reaction == "NRR"].composition.tolist() +ax2.scatter(x, y,c= "b", label = "NRR") +for i, txt in enumerate(comp): + ax2.annotate(txt, (x[i], y[i])) + +ax2.legend() +ax2.set_xlabel("dE *N*NH literature [eV]") +ax2.set_ylabel("dE *H literature [eV]") +f.set_figwidth(15) +f.set_figheight(7) +``` diff --git a/_sources/tutorial/NRR/NRR_toc.md b/_sources/tutorial/NRR/NRR_toc.md new file mode 100644 index 000000000..0a4f5ab7f --- /dev/null +++ b/_sources/tutorial/NRR/NRR_toc.md @@ -0,0 +1,6 @@ +# Screening catalysts with OCP + +See the sections of this tutorial to the left to get started! + +```{tableofcontents} +``` \ No newline at end of file diff --git a/_sources/tutorial/OCP-introduction.md b/_sources/tutorial/OCP-introduction.md new file mode 100644 index 000000000..405757c52 --- /dev/null +++ b/_sources/tutorial/OCP-introduction.md @@ -0,0 +1,358 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Introduction to using OCP in molecular simulations +================================================== + +To introduce OCP we start with using it to calculate adsorption energies for a simple, atomic adsorbate where we specify the site we want to the adsorption energy for. Conceptually, you do this like you would do it with density functional theory. You create a slab model for the surface, place an adsorbate on it as an initial guess, run a relaxation to get the lowest energy geometry, and then compute the adsorption energy using reference states for the adsorbate. + +You do have to be careful in the details though. Some OCP model/checkpoint combinations return a total energy like density functional theory would, but some return an "adsorption energy" directly. You have to know which one you are using. In this example, the model we use returns an "adsorption energy". + ++++ + +# Calculating adsorption energies + +Calculating adsorption energy with OCP +Adsorption energies are different than you might be used to in OCP. For example, you may want the adsorption energy of oxygen, and conventionally you would compute that from this reaction: + + 1/2 O2 + slab -> slab-O + +This is not what is done in OCP. It is referenced to a different reaction + + x CO + (x + y/2 - z) H2 + (z-x) H2O + w/2 N2 + * -> CxHyOzNw* + +Here, x=y=w=0, z=1, so the reaction ends up as + + -H2 + H2O + * -> O* + +or alternatively, + + H2O + * -> O* + H2 + +It is possible through thermodynamic cycles to compute other reactions. If we can look up rH1 below and compute rH2 + + H2 + 1/2 O2 -> H2O re1 = -3.03 eV + H2O + * -> O* + H2 re2 # Get from OCP as a direct calculation + +Then, the adsorption energy for + + 1/2O2 + * -> O* + +is just re1 + re2. + +Based on https://atct.anl.gov/Thermochemical%20Data/version%201.118/species/?species_number=986, the formation energy of water is about -3.03 eV at standard state. You could also compute this using DFT. + +The first step is getting a checkpoint for the model we want to use. eSCN is currently the state of the art model [`arXiv`](https://arxiv.org/abs/2302.03655). This next cell will download the checkpoint if you don't have it already. + +The different models have different compute requirements. If you find your kernel is crashing, it probably means you have exceeded the allowed amount of memory. This checkpoint works fine in this example, but it may crash your kernel if you use it in the NRR example. + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb + +checkpoint = get_checkpoint('eSCN-L6-M3-Lay20 All+MD') +``` + +Next we load the checkpoint. The output is somewhat verbose, but it can be informative for debugging purposes. + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint_path=os.path.expanduser(checkpoint), cpu=False) +# calc = OCPCalculator(checkpoint_path=os.path.expanduser(checkpoint), cpu=True) +``` + +Next we can build a slab with an adsorbate on it. Here we use the ASE module to build a Pt slab. We use the experimental lattice constant that is the default. This can introduce some small errors with DFT since the lattice constant can differ by a few percent, and it is common to use DFT lattice constants. In this example, we do not constrain any layers. + +```{code-cell} ipython3 +from ase.build import fcc111, add_adsorbate +from ase.optimize import BFGS +``` + +```{code-cell} ipython3 +re1 = -3.03 + +slab = fcc111('Pt', size=(2, 2, 5), vacuum=10.0) +add_adsorbate(slab, 'O', height=1.2, position='fcc') + +slab.set_calculator(calc) +opt = BFGS(slab) +opt.run(fmax=0.05, steps=100) +slab_e = slab.get_potential_energy() +slab_e + re1 +``` + +It is good practice to look at your geometries to make sure they are what you expect. + +```{code-cell} ipython3 +import matplotlib.pyplot as plt +from ase.visualize.plot import plot_atoms + +fig, axs = plt.subplots(1, 2) +plot_atoms(slab, axs[0]); +plot_atoms(slab, axs[1], rotation=('-90x')) +axs[0].set_axis_off() +axs[1].set_axis_off() +``` + +How did we do? We need a reference point. In the paper below, there is an atomic adsorption energy for O on Pt(111) of about -4.264 eV. This is for the reaction O + * -> O*. To convert this to the dissociative adsorption energy, we have to add the reaction: + + 1/2 O2 -> O D = 2.58 eV (expt) + +to get a comparable energy of about -1.68 eV. There is about ~0.6 eV difference (we predicted -2.3 eV above, and the reference comparison is -1.68 eV) to account for. The biggest difference is likely due to the differences in exchange-correlation functional. The reference data used the PBE functional, and eSCN was trained on *RPBE* data. To additional places where there are differences include: + +1. Difference in lattice constant +2. The reference energy used for the experiment references. These can differ by up to 0.5 eV from comparable DFT calculations. +3. How many layers are relaxed in the calculation + +Some of these differences tend to be systematic, and you can calibrate and correct these, especially if you can augment these with your own DFT calculations. + +See [convergence study](#Convergence-study) for some additional studies of factors that influence this number. + ++++ + +### Exercises + +1. Explore the effect of the lattice constant on the adsorption energy. +2. Try different sites, including the bridge and top sites. Compare the energies, and inspect the resulting geometries. + ++++ + +# Trends in adsorption energies across metals. + +Xu, Z., & Kitchin, J. R. (2014). Probing the coverage dependence of site and adsorbate configurational correlations on (111) surfaces of late transition metals. J. Phys. Chem. C, 118(44), 25597–25602. http://dx.doi.org/10.1021/jp508805h + +[Supporting information](https://pubs.acs.org/doi/suppl/10.1021/jp508805h/suppl_file/jp508805h_si_001.pdf). + +These are atomic adsorption energies: + + O + * -> O* + +We have to do some work to get comparable numbers from OCP + + H2 + 1/2 O2 -> H2O re1 = -3.03 eV + H2O + * -> O* + H2 re2 # Get from OCP + O -> 1/2 O2 re3 = -2.58 eV + +Then, the adsorption energy for + + O + * -> O* + +is just re1 + re2 + re3. + +Here we just look at the fcc site on Pt. First, we get the data stored in the paper. + +Next we get the structures and compute their energies. Some subtle points are that we have to account for stoichiometry, and normalize the adsorption energy by the number of oxygens. + ++++ + +First we get a reference energy from the paper (PBE, 0.25 ML O on Pt(111)). + +```{code-cell} ipython3 +import json + +with open('energies.json') as f: + edata = json.load(f) + +with open('structures.json') as f: + sdata = json.load(f) + +edata['Pt']['O']['fcc']['0.25'] +``` + +Next, we load data from the SI to get the geometry to start from. + +```{code-cell} ipython3 +with open('structures.json') as f: + s = json.load(f) + +sfcc = s['Pt']['O']['fcc']['0.25'] +``` + +Next, we construct the atomic geometry, run the geometry optimization, and compute the energy. + +```{code-cell} ipython3 +re3 = -2.58 # O -> 1/2 O2 re3 = -2.58 eV + +from ase import Atoms + +atoms = Atoms(sfcc['symbols'], + positions=sfcc['pos'], + cell=sfcc['cell'], + pbc=True) + +atoms.set_calculator(calc) +opt = BFGS(atoms) + +opt.run(fmax=0.05, steps=100) +re2 = atoms.get_potential_energy() + +nO = 0 +for atom in atoms: + if atom.symbol == 'O': + nO += 1 + re2 += re1 + re3 + +print(re2 / nO) +``` + +## Site correlations + +This cell reproduces a portion of a figure in the paper. We compare oxygen adsorption energies in the fcc and hcp sites across metals and coverages. These adsorption energies are highly correlated with each other because the adsorption sites are so similar. + +At higher coverages, the agreement is not as good. This is likely because the model is extrapolating and needs to be fine-tuned. + +```{code-cell} ipython3 +from tqdm import tqdm +import time + +t0 = time.time() + +data = {'fcc': [], + 'hcp': []} + +refdata = {'fcc': [], + 'hcp': []} + + +for metal in ['Cu', 'Ag', 'Pd', 'Pt', 'Rh', 'Ir']: + print(metal) + for site in ['fcc', 'hcp']: + for adsorbate in ['O']: + for coverage in tqdm(['0.25']): + + + entry = s[metal][adsorbate][site][coverage] + + atoms = Atoms(entry['symbols'], + positions=entry['pos'], + cell=entry['cell'], + pbc=True) + + atoms.set_calculator(calc) + opt = BFGS(atoms, logfile=None) # no logfile to suppress output + + opt.run(fmax=0.05, steps=100) + + re2 = atoms.get_potential_energy() + nO = 0 + for atom in atoms: + if atom.symbol == 'O': + nO += 1 + re2 += re1 + re3 + + data[site] += [re2 / nO] + refdata[site] += [edata[metal][adsorbate][site][coverage]] + +f'Elapsed time = {time.time() - t0} seconds' +``` + +First, we compare the computed data and reference data. There is a systematic difference of about 0.5 eV due to the difference between RPBE and PBE functionals, and other subtle differences like lattice constant differences and reference energy differences. This is pretty typical, and an expected deviation. + +```{code-cell} ipython3 +plt.plot(refdata['fcc'], data['fcc'], 'r.', label='fcc') +plt.plot(refdata['hcp'], data['hcp'], 'b.', label='hcp') +plt.plot([-5.5, -3.5], [-5.5, -3.5], 'k-') +plt.xlabel('Ref. data (DFT)') +plt.ylabel('OCP prediction'); +``` + +Next we compare the correlation between the hcp and fcc sites. Here we see the same trends. The data falls below the parity line because the hcp sites tend to be a little weaker binding than the fcc sites. + +```{code-cell} ipython3 +plt.plot(refdata['hcp'], refdata['fcc'], 'r.') +plt.plot(data['hcp'], data['fcc'], '.') +plt.plot([-6, -1], [-6, -1], 'k-') +plt.xlabel('$H_{ads, hcp}$') +plt.ylabel('$H_{ads, fcc}$') +plt.legend(['DFT (PBE)', 'OCP']); +``` + +### Exercises + +1. You can also explore a few other adsorbates: C, H, N. +2. Explore the higher coverages. The deviations from the reference data are expected to be higher, but relative differences tend to be better. You probably need fine tuning to improve this performance. This data set doesn't have forces though, so it isn't practical to do it here. + ++++ + +# Next steps + +In the next step, we consider some more complex adsorbates in nitrogen reduction, and how we can leverage OCP to automate the search for the most stable adsorbate geometry. See [the next step](./NRR/NRR_example-gemnet). + ++++ + +# Convergence study + +In [Calculating adsorption energies](#Calculating-adsorption-energies) we discussed some possible reasons we might see a discrepancy. Here we investigate some factors that impact the computed energies. + +In this section, the energies refer to the reaction 1/2 O2 -> O*. + ++++ + +## Effects of number of layers + +Slab thickness could be a factor. Here we relax the whole slab, and see by about 4 layers the energy is converged to ~0.02 eV. + +```{code-cell} ipython3 +for nlayers in [3, 4, 5, 6, 7, 8]: + slab = fcc111('Pt', size=(2, 2, nlayers), vacuum=10.0) + add_adsorbate(slab, 'O', height=1.2, position='fcc') + + slab.set_calculator(calc) + opt = BFGS(slab, logfile=None) + opt.run(fmax=0.05, steps=100) + slab_e = slab.get_potential_energy() + print(f'nlayers = {nlayers}: {slab_e + re1:1.2f} eV') +``` + +## Effects of relaxation + +It is common to only relax a few layers, and constrain lower layers to bulk coordinates. We do that here. We only relax the adsorbate and the top layer. + +This has a small effect (0.1 eV). + +```{code-cell} ipython3 +from ase.constraints import FixAtoms + +for nlayers in [3, 4, 5, 6, 7, 8]: + slab = fcc111('Pt', size=(2, 2, nlayers), vacuum=10.0) + add_adsorbate(slab, 'O', height=1.2, position='fcc') + + slab.set_constraint(FixAtoms(mask=[atom.tag > 1 for atom in slab])) + + slab.set_calculator(calc) + opt = BFGS(slab, logfile=None) + opt.run(fmax=0.05, steps=100) + slab_e = slab.get_potential_energy() + print(f'nlayers = {nlayers}: {slab_e + re1:1.2f} eV') +``` + +## Unit cell size + +Coverage effects are quite noticeable with oxygen. Here we consider larger unit cells. This effect is large, and the results don't look right, usually adsorption energies get more favorable at lower coverage, not less. This suggests fine-tuning could be important even at low coverages. + +```{code-cell} ipython3 +for size in [1, 2, 3, 4, 5]: + slab = fcc111('Pt', size=(size, size, 5), vacuum=10.0) + add_adsorbate(slab, 'O', height=1.2, position='fcc') + + slab.set_constraint(FixAtoms(mask=[atom.tag > 1 for atom in slab])) + + slab.set_calculator(calc) + opt = BFGS(slab, logfile=None) + opt.run(fmax=0.05, steps=100) + slab_e = slab.get_potential_energy() + print(f'({size}x{size}): {slab_e + re1:1.2f} eV') +``` + +## Summary + +As with DFT, you should take care to see how these kinds of decisions affect your results, and determine if they would change any interpretations or not. diff --git a/_sources/tutorial/advanced/advanced_toc.md b/_sources/tutorial/advanced/advanced_toc.md new file mode 100644 index 000000000..4953eea42 --- /dev/null +++ b/_sources/tutorial/advanced/advanced_toc.md @@ -0,0 +1,6 @@ +# Advanced OCP usage + +See the sections of this tutorial to the left to get started! + +```{tableofcontents} +``` \ No newline at end of file diff --git a/_sources/tutorial/advanced/embedding-monkeypatch.md b/_sources/tutorial/advanced/embedding-monkeypatch.md new file mode 100644 index 000000000..cd7b4c6be --- /dev/null +++ b/_sources/tutorial/advanced/embedding-monkeypatch.md @@ -0,0 +1,232 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Embedding monkeypatching +------------------------------- + + +```{code-cell} ipython3 +from ocpmodels.models.gemnet_oc.gemnet_oc import GemNetOC + +import torch +from ocpmodels.common.utils import conditional_grad, scatter_det + + +@conditional_grad(torch.enable_grad()) +def newforward(self, data): + pos = data.pos + batch = data.batch + atomic_numbers = data.atomic_numbers.long() + num_atoms = atomic_numbers.shape[0] + + if self.regress_forces and not self.direct_forces: + pos.requires_grad_(True) + + ( + main_graph, + a2a_graph, + a2ee2a_graph, + qint_graph, + id_swap, + trip_idx_e2e, + trip_idx_a2e, + trip_idx_e2a, + quad_idx, + ) = self.get_graphs_and_indices(data) + _, idx_t = main_graph["edge_index"] + + ( + basis_rad_raw, + basis_atom_update, + basis_output, + bases_qint, + bases_e2e, + bases_a2e, + bases_e2a, + basis_a2a_rad, + ) = self.get_bases( + main_graph=main_graph, + a2a_graph=a2a_graph, + a2ee2a_graph=a2ee2a_graph, + qint_graph=qint_graph, + trip_idx_e2e=trip_idx_e2e, + trip_idx_a2e=trip_idx_a2e, + trip_idx_e2a=trip_idx_e2a, + quad_idx=quad_idx, + num_atoms=num_atoms, + ) + + # Embedding block + h = self.atom_emb(atomic_numbers) + # (nAtoms, emb_size_atom) + m = self.edge_emb(h, basis_rad_raw, main_graph["edge_index"]) + # (nEdges, emb_size_edge) + + x_E, x_F = self.out_blocks[0](h, m, basis_output, idx_t) + # (nAtoms, emb_size_atom), (nEdges, emb_size_edge) + xs_E, xs_F = [x_E], [x_F] + + for i in range(self.num_blocks): + # Interaction block + h, m = self.int_blocks[i]( + h=h, + m=m, + bases_qint=bases_qint, + bases_e2e=bases_e2e, + bases_a2e=bases_a2e, + bases_e2a=bases_e2a, + basis_a2a_rad=basis_a2a_rad, + basis_atom_update=basis_atom_update, + edge_index_main=main_graph["edge_index"], + a2ee2a_graph=a2ee2a_graph, + a2a_graph=a2a_graph, + id_swap=id_swap, + trip_idx_e2e=trip_idx_e2e, + trip_idx_a2e=trip_idx_a2e, + trip_idx_e2a=trip_idx_e2a, + quad_idx=quad_idx, + ) # (nAtoms, emb_size_atom), (nEdges, emb_size_edge) + + x_E, x_F = self.out_blocks[i + 1](h, m, basis_output, idx_t) + # (nAtoms, emb_size_atom), (nEdges, emb_size_edge) + xs_E.append(x_E) + xs_F.append(x_F) + + # Global output block for final predictions + x_E = self.out_mlp_E(torch.cat(xs_E, dim=-1)) + if self.direct_forces: + x_F = self.out_mlp_F(torch.cat(xs_F, dim=-1)) + with torch.cuda.amp.autocast(False): + E_t = self.out_energy(x_E.float()) + if self.direct_forces: + F_st = self.out_forces(x_F.float()) + + nMolecules = torch.max(batch) + 1 + if self.extensive: + E_t = scatter_det( + E_t, batch, dim=0, dim_size=nMolecules, reduce="add" + ) # (nMolecules, num_targets) + else: + E_t = scatter_det( + E_t, batch, dim=0, dim_size=nMolecules, reduce="mean" + ) # (nMolecules, num_targets) + + out = {} + + if self.regress_forces: + if self.direct_forces: + if self.forces_coupled: # enforce F_st = F_ts + nEdges = idx_t.shape[0] + id_undir = repeat_blocks( + main_graph["num_neighbors"] // 2, + repeats=2, + continuous_indexing=True, + ) + F_st = scatter_det( + F_st, + id_undir, + dim=0, + dim_size=int(nEdges / 2), + reduce="mean", + ) # (nEdges/2, num_targets) + F_st = F_st[id_undir] # (nEdges, num_targets) + + # map forces in edge directions + F_st_vec = F_st[:, :, None] * main_graph["vector"][:, None, :] + # (nEdges, num_targets, 3) + F_t = scatter_det( + F_st_vec, + idx_t, + dim=0, + dim_size=num_atoms, + reduce="add", + ) # (nAtoms, num_targets, 3) + else: + F_t = self.force_scaler.calc_forces_and_update(E_t, pos) + + out["energy"] = E_t.squeeze(1) # (num_molecules) + out["forces"] = F_t.squeeze(1) # (num_atoms, 3) + else: + out["energy"] = E_t.squeeze(1) # (num_molecules) + + # This is the section I adapted from abishek's code + if hasattr(self, 'return_embedding') and self.return_embedding: + nMolecules = (torch.max(batch) + 1).item() + + # This seems to be an earlier block + out["h sum"] = scatter_det( + h, batch, dim=0, dim_size=nMolecules, reduce="add" + ) + + # These embedding are closer to energy output + out["x_E sum"] = scatter_det( + x_E, batch, dim=0, dim_size=nMolecules, reduce="add" + ) + + # This is an embedding related to forces. + # Something seems off on I couldn't do the same thing as above with scatter_det. + out["x_F sum"] = torch.sum(x_F, axis=0)[None, :] + + + # tuples with nMolecules tensors of size nAtoms x embedding_size. + out["x_E"] = x_E.split(data.natoms.tolist(), dim=0) + + out["h"] = h.split(data.natoms.tolist(), dim=0) + + return out + else: + if self.regress_forces: + return out["energy"], out["forces"] + else: + return out["energy"] + +GemNetOC.forward = newforward +``` + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +from ocpmodels.datasets import data_list_collater + + +def embed(self, atoms): + self.trainer._unwrapped_model.return_embedding = True + data_object = self.a2g.convert(atoms) + batch_list = data_list_collater([data_object], otf_graph=True) + + self.trainer.model.eval() + if self.trainer.ema: + self.trainer.ema.store() + self.trainer.ema.copy_to() + + with torch.cuda.amp.autocast(enabled=self.trainer.scaler is not None): + with torch.no_grad(): + out = self.trainer.model([batch_list]) + + if ( + self.trainer.normalizers is not None + and "target" in self.trainer.normalizers + ): + out["energy"] = self.trainer.normalizers["target"].denorm( + out["energy"] + ) + out["forces"] = self.trainer.normalizers["grad_target"].denorm( + out["forces"] + ) + + if self.trainer.ema: + self.trainer.ema.restore() + + return out + +OCPCalculator.embed = embed +``` diff --git a/_sources/tutorial/advanced/embeddings.md b/_sources/tutorial/advanced/embeddings.md new file mode 100644 index 000000000..6e487be5a --- /dev/null +++ b/_sources/tutorial/advanced/embeddings.md @@ -0,0 +1,326 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Working with embeddings +------------------------------- + +OCP works by computing an *embedding*, aka a high dimensional vector representation of the local environment around each atom that the atomic energy is linear in. If two atoms have a similar embedding, then they have similar atomic energies and forces. We can use these embeddings for a variety of applications. For example, in + + Yang, Y., Liu, M., & Kitchin, J. R. (2022). Neural network embeddings based similarity search method for atomistic systems. Digital Discovery, 1(5), 636–644. http://dx.doi.org/10.1039/d2dd00055e + +We used them to search for similar atomic structures. + +We can use them for diagnostic purposes, or clustering. + +In this example, we patch the GemNetOC model to save the embeddings so you can easily access them. This requires two changes. The first is in the GemNetOC model where the embeddings are saved, and the second is in the OCPCalculator to retrieve them. + +We provide 5 different kinds of embeddings: + +1. 'h' - This is an early block in the embedding calculation. You get the h-embedding for each atom +2. 'h sum' - This is an early block in the embedding calculation. You get the h-embedding summed over each atom +3. 'x_E' - The atomic energy is linear in this, returned for each atom +4. 'x_E sum' - summed over atoms +5. 'x_F sum' - This is related to the forces + +In principle other models could be adapted in a similar way. See [embedding-monkeypatch.ipynb](./embedding-monkeypatch) for details on the patch. We simply run this notebook below to load it. + +The OCP project is still under active development, and it is not yet clear what the best way to access these embeddings are, so this code is not yet part of the main development branch. This code was adapted from a branch at https://github.com/Open-Catalyst-Project/ocp/blob/gnoc-embeddings. + +```{code-cell} ipython3 +%run embedding-monkeypatch.ipynb +%run ../ocp-tutorial.ipynb +``` + +# A diagnostic example + +Here we will look at an equation of state for bulk fcc Cu. + +```{code-cell} ipython3 +import matplotlib.pyplot as plt +from ase import Atom, Atoms +import numpy as np +``` + +```{code-cell} ipython3 +%%capture +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import os +cp = checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +calc = OCPCalculator(checkpoint=cp) +``` + +## Bulk Cu equation of state example + +Here we simply compute an equation of state by varying the lattice constant. You will see a small unphysical feature near 3.7 angstroms. We will investigate why that happens. + +```{code-cell} ipython3 +#calc.trainer._unwrapped_model.return_embedding = False +a0 = 3.63 +E = [] + +LC = np.linspace(0.95 * a0, 1.05 * a0, 20) + +for a in LC: + atoms = Atoms([Atom('Cu', (0, 0, 0))], + cell=0.5 * a * np.array([[1.0, 1.0, 0.0], + [0.0, 1.0, 1.0], + [1.0, 0.0, 1.0]]), + pbc=True) + atoms = atoms.repeat((2, 2, 2)) + atoms.set_tags(np.ones(len(atoms))) + atoms.set_calculator(calc) + E += [atoms.get_potential_energy()] + +plt.plot(LC, E) +plt.xlabel('Lattice constant (A)') +plt.ylabel('Energy (eV)'); +``` + +Something is a little off in this equation of state, there is an unphysical bump in it. We now rerun this and get the embeddings. You simply call the `calc.embed` method. We need a reference configuration to compare too. We choose a lattice constant of 3.63 angstroms and compute three different embeddings. + +```{code-cell} ipython3 +a0 = 3.63 +atoms = Atoms([Atom('Cu', (0, 0, 0))], + cell=0.5 * a0 * np.array([[1.0, 1.0, 0.0], + [0.0, 1.0, 1.0], + [1.0, 0.0, 1.0]]), + pbc=True) +atoms = atoms.repeat((2, 2, 2)) +atoms.set_tags(np.ones(len(atoms))) +atoms.calc = calc + +out = calc.embed(atoms) + +x1, x2, x3 = out['h sum'], out['x_E sum'], out['x_F sum'] +``` + +Next, we loop over a grid of lattice constants, and we compare the cosine similarity of the embeddings for each one to the reference embeddings above. A similarity of 1 means they are the same, and as the similarity decreases it means the embbedings are more and more different (and so is the energy). + +```{code-cell} ipython3 +E = [] + +LC = np.linspace(0.95 * a0, 1.05 * a0, 200) +cossim1, cossim2, cossim3 = [], [], [] +for a in LC: + atoms = Atoms([Atom('Cu', (0, 0, 0))], + cell=0.5 * a * np.array([[1.0, 1.0, 0.0], + [0.0, 1.0, 1.0], + [1.0, 0.0, 1.0]]), + pbc=True) + atoms = atoms.repeat((2, 2, 2)) + atoms.set_tags(np.ones(len(atoms))) + + out = calc.embed(atoms) + + cossim1.append(torch.cosine_similarity(x1, out["h sum"]).item()) + cossim2.append(torch.cosine_similarity(x2, out["x_E sum"]).item()) + cossim3.append(torch.cosine_similarity(x3, out["x_F sum"]).item()) + E += [out['energy']] +``` + +Now we plot the results. + +```{code-cell} ipython3 +_, (ax1, ax2) = plt.subplots(2, 1) + +ax1.plot(LC, E) +ax1.set_ylabel('Energy (eV)') +ax2.plot(LC, cossim1, label="h") +ax2.plot(LC, cossim2, label="x_E") +ax2.plot(LC, cossim3, label="x_F") +ax2.axvline(3.63, c='k', ls='--') +ax2.legend() + + +plt.xlabel('Lattice constant ($\AA$)') +plt.ylabel(f'Similarity to LC={a0}') + +plt.tight_layout() +``` + +We can see that near the minimum the different embeddings are all quite similar. But, near the unphysical peak, the x_E embedding shows a significant deviation. The atomic energy is linear in this embedding, which is why we see the peak. This means the embedding is not sufficiently trained in this region, and fine-tuning should be considered with data in that region. + ++++ + +# A clustering example + +We use this example to show that we can cluster structures by embedding similarities. We compute 20 configurations of an octahedral nanoparticle, and 20 configurations of a bulk Cu structure. We accumulate these into a list of vectors. We use 20 configurations from the nanoparticle, and 40 configurations for the bulk. That will make it easy to see which clusters are which later. + +```{code-cell} ipython3 +from ase.build import bulk +from ase.cluster import Octahedron + +calc.trainer._unwrapped_model.return_embedding = True + +embeddings = [] +labels = [] + +oct = Octahedron('Cu', 2) +oct.set_tags(np.ones(len(oct))) + +for i in range(20): + oct.rattle(0.01) + embeddings += [calc.embed(oct)['x_E sum'][0].numpy()] + labels += [0] +``` + +```{code-cell} ipython3 +b = bulk('Cu') +b = b.repeat((2, 2, 2)) +b.set_tags(np.ones(len(b))) + +for i in range(40): + b.rattle(0.01) + embeddings += [calc.embed(b)['x_E sum'][0].numpy()] + labels += [1] +``` + +```{code-cell} ipython3 +embeddings = np.array(embeddings) +embeddings.shape +``` + +```{code-cell} ipython3 +%%capture +! pip install umap-learn +``` + +Now we use a tool like umap. This will take the 40 vectors with 256 dimensions each, and reduce these to two dimennsions where similar embeddings remain close together. You should see two clusters. The one labeled 1 with 40 points is the bulk set. + +```{code-cell} ipython3 +import umap + +um = umap.UMAP(random_state=42).fit_transform(embeddings) +``` + +```{code-cell} ipython3 +plt.scatter(*um.T, c=labels, s=5, cmap='Spectral') +plt.colorbar(); +``` + +## Clustering individual atoms + +If we get the atomic embeddings, we can cluster them by similarity too. Here we look at how many kinds of atoms there are in an Octahedron cluster and bulk system. We color code the clusters by the atomic energy of each atom. + +```{code-cell} ipython3 +embeddings = [] +labels = [] +energies = [] + +oct = Octahedron('Cu', 2) +oct.set_tags(np.ones(len(oct))) + +for i in range(20): + oct.rattle(0.01) + out = calc.embed(oct) + for a in out['h'][0]: + embeddings += [a.numpy()] + labels += [0] + energies += [out['energy']] + +b = bulk('Cu') +b = b.repeat((2, 2, 2)) +b.set_tags(np.ones(len(b))) + +for i in range(20): + b.rattle(0.01) + out = calc.embed(b) + for a in out['h'][0]: + embeddings += [a.numpy()] + labels += [1] + energies += [out['energy']] + +embeddings = np.array(embeddings) + +um = umap.UMAP(random_state=42).fit_transform(embeddings) +plt.scatter(*um.T, c=energies, cmap='Spectral') +plt.colorbar(); +``` + +You can see from this there are roughly three kinds of atoms. One is bulk like, with the lowest energy (the dark red points), the second is also lower in energy (the reddish-orange points), and the others are surface atoms, with higher energies (the bluish points). + ++++ + +# A simple vector search example + +In this example we perform a simple vector search in the embedding space. We use [vdict](https://github.com/whitead/vdict) for the vector database here. + +Our database is very small, it only contains embeddings for ethanol and ethane. After we make it, we search the database to find the atom that is closest to the C atom in methanol. + +Note in this example, we have to tag all the atoms with 1 for GemnetOC to work. + +```{code-cell} ipython3 +! pip install vdict 2&>1 /devnull +``` + +Here we set up the simple database. Each row, or entry, is the actual embedding vector for an atom. That is the key that points to the atom index and the atoms object. I use cosine similarity here. If you use the default (l2) then you may not find anything close enough. + +```{code-cell} ipython3 +import numpy as np +from ase.build import molecule +from vdict import vdict + +data = vdict(space='cosine') + +ethanol = molecule('CH3CH2OH') +ethanol.set_tags(np.ones(len(ethanol))) +ethanol_emb = calc.embed(ethanol) + +methane = molecule('C2H6') +methane.set_tags(np.ones(len(methane))) +methane_emb = calc.embed(methane) + +for i, atom in enumerate(ethanol): + data[ethanol_emb['x_E'][0][i].numpy()] = [i, ethanol] + +for i, atom in enumerate(methane): + data[methane_emb['x_E'][0][i].numpy()] = [i, methane] +``` + +Now we construct our "query". We inspect the Atoms object, see that the C atom is the first one, and then extract the embedding for that atom and save it in a variable. + +```{code-cell} ipython3 +methanol = molecule('CH3OH') +methanol.set_tags(np.ones(len(methanol))) +methanol_emb = calc.embed(methanol) +methanol +``` + +```{code-cell} ipython3 +query = methanol_emb['x_E'][0][0].numpy() +``` + +We run our search with the syntax like a dictionary. It returns the closest found match. + +```{code-cell} ipython3 +i, found = data[query] +i, found[i] +``` + +```{code-cell} ipython3 +for ind, atom in enumerate(found): + print(ind, atom) +``` + +This finds the second carbon in the molecule. That is the one that is closest to the oxygen atom. That means it is more similar to the methanol carbon than the first carbon in ethanol which is a CH3, but it is farther from the oxygen atom. + +This is pretty remarkable! The query had no explicit information about C in it other than the embedding for that atom, and it found another atom that was similar. + +```{code-cell} ipython3 +found.get_distance(0, 2), found.get_distance(1, 2) +``` + +```{code-cell} ipython3 +from ase.visualize.plot import plot_atoms +plot_atoms(found); +``` diff --git a/_sources/tutorial/advanced/fine-tuning-in-python.md b/_sources/tutorial/advanced/fine-tuning-in-python.md new file mode 100644 index 000000000..11f53c1cf --- /dev/null +++ b/_sources/tutorial/advanced/fine-tuning-in-python.md @@ -0,0 +1,155 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Fine-tuning with Python +---------------------------- + +The recommended way to do training is with the `main.py` script in ocp. One of the reasons for that is training often takes a long time and is better suited for queue systems like slurm. However, you can submit Python scripts too, and it is possible to run notebooks in Slurm too. Here we work out a proof of concept in training from Python and a Jupyter notebook. + +```{code-cell} ipython3 +%run ../ocp-tutorial.ipynb +``` + +```{code-cell} ipython3 +import logging +from ocpmodels.common.utils import SeverityLevelBetween + +root = logging.getLogger() + + +root.setLevel(logging.INFO) + +log_formatter = logging.Formatter( + "%(asctime)s (%(levelname)s): %(message)s", + datefmt="%Y-%m-%d %H:%M:%S",) + +# Send INFO to stdout +handler_out = logging.FileHandler('out.txt', 'w') +handler_out.addFilter( + SeverityLevelBetween(logging.INFO, logging.WARNING) + ) +handler_out.setFormatter(log_formatter) +root.addHandler(handler_out) + +# Send WARNING (and higher) to stderr +handler_err = logging.FileHandler('out.txt', 'w+') +handler_err.setLevel(logging.WARNING) +handler_err.setFormatter(log_formatter) +root.addHandler(handler_err) +``` + +```{code-cell} ipython3 +! ase db ../fine-tuning/oxides.db +``` + +```{code-cell} ipython3 +checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint=checkpoint, trainer='forces', cpu=False) +``` + +## Split the data into train, test, val sets + +```{code-cell} ipython3 +! rm -fr train.db test.db val.db +train, test, val = train_test_val_split('../fine-tuning/oxides.db') +train, test, val +``` + +# Setup the training code + +We start by making the config.yml. We build this from the calculator checkpoint. + +```{code-cell} ipython3 +yml = generate_yml_config(checkpoint, 'config.yml', + delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes', + 'optim.loss_force', # the checkpoint setting causes an error + 'dataset', 'test_dataset', 'val_dataset'], + update={'gpus': 1, + 'task.dataset': 'ase_db', + 'optim.eval_every': 1, + 'optim.max_epochs': 5, + # Train data + 'dataset.train.src': 'train.db', + 'dataset.train.a2g_args.r_energy': True, + 'dataset.train.a2g_args.r_forces': True, + # Test data - prediction only so no regression + 'dataset.test.src': 'test.db', + 'dataset.test.a2g_args.r_energy': False, + 'dataset.test.a2g_args.r_forces': False, + # val data + 'dataset.val.src': 'val.db', + 'dataset.val.a2g_args.r_energy': True, + 'dataset.val.a2g_args.r_forces': True, + }) + +yml +``` + +## Setup the training task + +This essentially allows several opportunities to define and override the config. You start with the base config.yml, and then via "command-line" arguments you specify changes you want to make. + +The code is build around `submitit`, which is often used with Slurm, but also works locally. + ++++ + +We have to mimic the `main.py` setup to get the arguments and config setup. Here is a minimal way to do this. + +```{code-cell} ipython3 +from ocpmodels.common.flags import flags +parser = flags.get_parser() +args, args_override = parser.parse_known_args(["--mode=train", + "--config-yml=config.yml", + f"--checkpoint={checkpoint}", + "--amp"]) +args, args_override +``` + +Next, we build the first stage in our config. This starts with the file config.yml, then updates it with the args + +```{code-cell} ipython3 +from ocpmodels.common.utils import build_config, new_trainer_context + +config = build_config(args=args, args_override={}) +config +``` + +# Run the training task + +It is still annoying that if your output is too large the notebook will not be able to be saved. On the other hand, it is annoying to simply capture the output. + +We are able to redirect most logging to a file above, but not all of it. The link below will open the file in a browser, and the subsequent cell captures all residual output. We do not need any of that, so it is ultimately discarded. + +Alternatively, you can open a Terminal and use `tail -f out.txt` to see the progress. + +```{code-cell} ipython3 +from IPython.display import display, FileLink +display(FileLink('out.txt')) +``` + +```{code-cell} ipython3 +with new_trainer_context(config=config, args=args) as ctx: + config = ctx.config + task = ctx.task + trainer = ctx.trainer + task.setup(trainer) + task.run() +``` + +```{code-cell} ipython3 +! head out.txt +! tail out.txt +``` + +Now, you are all set to carry on with what ever subsequent analysis you want to do. diff --git a/_sources/tutorial/advanced/fine-tuning-toc.md b/_sources/tutorial/advanced/fine-tuning-toc.md new file mode 100644 index 000000000..c4f4f9e39 --- /dev/null +++ b/_sources/tutorial/advanced/fine-tuning-toc.md @@ -0,0 +1,6 @@ +# Advanced example: Fine-tuning + +See the sections of this tutorial to the left to get started! + +```{tableofcontents} +``` \ No newline at end of file diff --git a/_sources/tutorial/advanced/mass-inference.md b/_sources/tutorial/advanced/mass-inference.md new file mode 100644 index 000000000..671916402 --- /dev/null +++ b/_sources/tutorial/advanced/mass-inference.md @@ -0,0 +1,188 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Mass inference +------------------ + +The ASE calculator is not necessarily the most efficient way to run a lot of computations. It is better to do a "mass inference" using a command line utility. We illustrate how to do that here. + +In this paper we computed about 10K different gold structures: + +Boes, J. R., Groenenboom, M. C., Keith, J. A., & Kitchin, J. R. (2016). Neural network and Reaxff comparison for Au properties. Int. J. Quantum Chem., 116(13), 979–987. http://dx.doi.org/10.1002/qua.25115 + +You can retrieve the dataset below. In this notebook we learn how to do "mass inference" without an ASE calculator. You do this by creating a config.yml file, and running the `main.py` command line utility. + +```{code-cell} ipython3 +! [ ! -f data.db ] && wget https://figshare.com/ndownloader/files/11948267 -O data.db +``` + +```{code-cell} ipython3 +! ase db data.db +``` + +You have to choose a checkpoint to start with. The newer checkpoints may require too much memory for this environment. + +```{code-cell} ipython3 +%run ../ocp-tutorial.ipynb +list_checkpoints() +``` + +```{code-cell} ipython3 +checkpoint = get_checkpoint('GemNet-dT OC22') +checkpoint +``` + +We have to update our configuration yml file with the dataset. It is necessary to specify the train and test set for some reason. + +```{code-cell} ipython3 +yml = generate_yml_config(checkpoint, 'config.yml', + delete=['cmd', 'logger', 'task', 'model_attributes', + 'dataset', 'slurm'], + update={'amp': True, + 'gpus': 1, + 'task.dataset': 'ase_db', + 'task.prediction_dtype': 'float32', + + # Train data + 'dataset.train.src': 'data.db', + 'dataset.train.a2g_args.r_energy': False, + 'dataset.train.a2g_args.r_forces': False, + 'dataset.train.select_args.selection': 'natoms>5,xc=PBE', + # Test data - prediction only so no regression + 'dataset.test.src': 'data.db', + 'dataset.test.a2g_args.r_energy': False, + 'dataset.test.a2g_args.r_forces': False, + 'dataset.test.select_args.selection': 'natoms>5,xc=PBE', + }) + +yml +``` + +It is a good idea to redirect the output to a file. If the output gets too large here, the notebook may fail to save. Normally I would use a redirect like `2&>1`, but this does not work with the main.py method. An alternative here is to open a terminal and run it there. + +```{code-cell} ipython3 +%%capture inference +import time +t0 = time.time() +! python {ocp_main()} --mode predict --config-yml {yml} --checkpoint {checkpoint} --amp +print(f'Elapsed time = {time.time() - t0:1.1f} seconds') +``` + +```{code-cell} ipython3 +! grep "Total time taken:" 'mass-inference.txt' +``` + +```{code-cell} ipython3 +with open('mass-inference.txt', 'wb') as f: + f.write(inference.stdout.encode('utf-8')) +``` + +The mass inference approach takes 1-2 minutes to run. See the output [here](./mass-inference.txt). + +```{code-cell} ipython3 +results = ! grep " results_dir:" mass-inference.txt +d = results[0].split(':')[-1].strip() +``` + +```{code-cell} ipython3 +import numpy as np +results = np.load(f'{d}/s2ef_predictions.npz', allow_pickle=True) +results.files +``` + +It is not obvious, but the data from mass inference is not in the same order. We have to get an id from the mass inference, and then "resort" the results so they are in the same order. + +```{code-cell} ipython3 +inds = np.array([int(r.split('_')[0]) for r in results['ids']]) +sind = np.argsort(inds) +inds[sind] +``` + +To compare this with the results, we need to get the energy data from the ase db. + +```{code-cell} ipython3 +from ase.db import connect +db = connect('data.db') + +energies = np.array([row.energy for row in db.select('natoms>5,xc=PBE')]) +natoms = np.array([row.natoms for row in db.select('natoms>5,xc=PBE')]) +``` + +Now, we can see the predictions. The are only ok here; that is not surprising, the data set has lots of Au configurations that have never been seen by this model. Fine-tuning would certainly help improve this. + +```{code-cell} ipython3 +import matplotlib.pyplot as plt + +plt.plot(energies / natoms, results['energy'][sind] / natoms, 'b.') +plt.xlabel('DFT') +plt.ylabel('OCP'); +``` + +# The ASE calculator way + +We include this here just to show that: + +1. We get the same results +2. That this is much slower. + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint=os.path.expanduser(checkpoint), cpu=False) +``` + +```{code-cell} ipython3 +import time +from tqdm import tqdm +t0 = time.time() +OCP, DFT = [], [] +for row in tqdm(db.select('natoms>5,xc=PBE')): + atoms = row.toatoms() + atoms.set_calculator(calc) + DFT += [row.energy / len(atoms)] + OCP += [atoms.get_potential_energy() / len(atoms)] +print(f'Elapsed time {time.time() - t0:1.1} seconds') +``` + +This takes at least twice as long as the mass-inference approach above. It is conceptually simpler though, and does not require resorting. + +```{code-cell} ipython3 +plt.plot(DFT, OCP, 'b.') +plt.xlabel('DFT (eV/atom)') +plt.ylabel('OCP (eV/atom)'); +``` + +# Comparing ASE calculator and main.py + +The results should be the same. + +It is worth noting the default precision of predictions is float16 with main.py, but with the ASE calculator the default precision is float32. Supposedly you can specify `--task.prediction_dtype=float32` at the command line to or specify it in the config.yml like we do above, but as of the tutorial this does not resolve the issue. + +As noted above (see also [Issue 542](https://github.com/Open-Catalyst-Project/ocp/issues/542)), the ASE calculator and main.py use different precisions by default, which can lead to small differences. + +```{code-cell} ipython3 +np.mean(np.abs(results['energy'][sind] - OCP * natoms)) # MAE +``` + +```{code-cell} ipython3 +np.min(results['energy'][sind] - OCP * natoms), np.max(results['energy'][sind] - OCP * natoms) +``` + +```{code-cell} ipython3 +plt.hist(results['energy'][sind] - OCP * natoms, bins=20); +``` + +Here we see many of the differences are very small. 0.0078125 = 1 / 128, and these errors strongly suggest some kind of mixed precision is responsible for these differences. It is an open issue to remove them and identify where the cause is. + +```{code-cell} ipython3 +(results['energy'][sind] - OCP * natoms)[0:400] +``` diff --git a/_sources/tutorial/fine-tuning/fine-tuning-oxides.md b/_sources/tutorial/fine-tuning/fine-tuning-oxides.md new file mode 100644 index 000000000..2c8ae9116 --- /dev/null +++ b/_sources/tutorial/fine-tuning/fine-tuning-oxides.md @@ -0,0 +1,343 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +# Fine tuning a model + +In this section we look at how to improve a model. We start by using a pre-trained model to predict the energies of several oxide polymorphs. The data here comes from this paper: + +Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates +Mehta, P., Salvador, P. A., & Kitchin, J. R. (2015). Identifying potential BO2 oxide polymorphs for epitaxial growth candidates. ACS Appl. Mater. Interfaces, 6(5), 3630–3639. http://dx.doi.org/10.1021/am4059149. + +This data set shows equations of state for several oxide/polymorph combinations. I use this dataset to compare with predictions from OCP + ++++ + +First we get the checkpoint that we want. According to the [MODELS](../../core/MODELS.md) the GemNet-OC OC20+OC22 combination has an energy MAE of 0.483 which seems like a good place to start. This model was trained on oxides. + +We get this checkpoint here. + +```{code-cell} ipython3 +%run ../ocp-tutorial.ipynb # load some helper functions +checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +``` + +The data we need is provided in `supporting-information.json`. That file is embedded in the supporting information for the article, and is provided here in the tutorial. We load this data and explore it a little. The json file provides a dictionary with the structure: + + [oxide][polymorph][xc][EOS][configurations] + +The first key is a composition, the second is a string for the polymorph structure, the third indicates which XC functional was used (we focus on PBE here), the fourth key is for the Equation of State calculations, and the last key is a list of results for the EOS. + +```{code-cell} ipython3 +import json +import numpy as np +import matplotlib.pyplot as plt +from ase import Atoms + +with open('supporting-information.json', 'rb') as f: + d = json.loads(f.read()) + + +oxides = list(d.keys()) +polymorphs = list(d['TiO2'].keys()) +oxides, polymorphs +``` + +A specific calculation has a lot of details in it. You can use this to recreate the calculations. Shortly we will use these to compare the DFT results to OCP. + +```{code-cell} ipython3 +d['TiO2']['rutile']['PBE']['EOS']['calculations'][0] +``` + +For each result we can retrieve the atomic geometry, energy and forces from the json file. We use these to recreate an Atoms object. Here is an example. + +```{code-cell} ipython3 +c = d['TiO2']['rutile']['PBE']['EOS']['calculations'][0] +atoms = Atoms(symbols=c['atoms']['symbols'], + positions=c['atoms']['positions'], + cell=c['atoms']['cell'], + pbc=c['atoms']['pbc']) +atoms.set_tags(np.ones(len(atoms))) +atoms, c['data']['total_energy'], c['data']['forces'] +``` + +Next, we will create an OCP calculator that we can use to get predictions from. + +```{code-cell} ipython3 +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint=checkpoint, trainer='forces', cpu=False) +``` + +Now, we loop through each structure and accumulate the OCP predictions. Then, we plot the parity results. + +```{code-cell} ipython3 +import time +t0 = time.time() + +eos_data = {} +for oxide in oxides: + eos_data[oxide] = {} + for polymorph in polymorphs: + dft = [] + ocp = [] + vols = [] + calculations = d[oxide][polymorph]['PBE']['EOS']['calculations'] + for c in calculations: + + atoms = Atoms(symbols=c['atoms']['symbols'], + positions=c['atoms']['positions'], + cell=c['atoms']['cell'], + pbc=c['atoms']['pbc']) + atoms.set_tags(np.ones(len(atoms))) + + atoms.calc = calc + ocp += [atoms.get_potential_energy() / len(atoms)] + dft += [c['data']['total_energy'] / len(atoms)] + vols += [atoms.get_volume()] + plt.plot(dft, ocp, marker='s' if oxide == 'VO2' else '.', + alpha=0.5, label=f'{oxide}-{polymorph}') + eos_data[oxide][polymorph] = (vols, dft, ocp) + +plt.xlabel('DFT (eV/atom)') +plt.ylabel('OCP (eV/atom)') +plt.legend(loc='center left', bbox_to_anchor=(1, 0.5), ncol=3); +print(f'Elapsed time {time.time() - t0:1.1f} seconds.') +``` + +```{code-cell} ipython3 +mae = np.mean(np.abs(np.array(dft) - np.array(ocp))) +print(f'MAE = {mae:1.3f} eV/atom') +``` + +The MAE is somewhat high compared to the reported value of 0.458 eV. That is not too surprising; although OC22 was trained on oxides, it was not trained on all of these structures. It is also evident on inspection that the main issues are all the VO2 structures, and these skew the MAE. Next we look at the EOS for each material. Here you can see offsets, and qualitative issues in the shapes. The offset is largely a PBE/RPBE difference. + +Some notable issues are with fluorite structures. We show one here for VO2. + +```{code-cell} ipython3 +oxide, polymorph = 'VO2', 'fluorite' +V, D, O = eos_data[oxide][polymorph] + +plt.plot(V, D, label='dft') +plt.plot(V, O, label='ocp') +plt.title(f'pretrained {oxide} - {polymorph}') +plt.legend(); +``` + +We can improve this by fine-tuning the model. + ++++ + +# Fine tuning the checkpoint + +There are severeal steps in fine-tuning: +1. Create train, test, val datasets +2. Create a configuration yml file +3. Run the training +4. Check the results + +First we create the training databases. OCP supports ase databases, so we use those here. The first step is to make a database containing the data. We need to write an atoms object with an attached SinglePointCalculator for each structure. + +```{code-cell} ipython3 +from ase.db import connect +from ase.calculators.singlepoint import SinglePointCalculator + +! rm -fr oxides.db # start clean when you run this cell +db = connect('oxides.db') +``` + +```{code-cell} ipython3 +for oxide in oxides: + for polymorph in polymorphs: + for c in d[oxide][polymorph]['PBE']['EOS']['calculations']: + atoms = Atoms(symbols=c['atoms']['symbols'], + positions=c['atoms']['positions'], + cell=c['atoms']['cell'], + pbc=c['atoms']['pbc']) + atoms.set_tags(np.ones(len(atoms))) + calc = SinglePointCalculator(atoms, + energy=c['data']['total_energy'], + forces=c['data']['forces']) + atoms.set_calculator(calc) + db.write(atoms) +``` + +Let's see what we made. + +```{code-cell} ipython3 +! ase db oxides.db +``` + +## Make the train, test, val splits + +We need to split the ase-db into three separate databases, one for training (80%), one for testing (10%) and one for validation. We generate a list of ids and then shuffle them. Then we write the first 80% into `train.db`, the next 10% into `test.db`, and the remaining into `val.db`. + +The train set is used for training. The test and val sets are used to check for overfitting. + +You choose the splits you want, 80:10:10 is common. We take a simple approach to split the database here. We make an array of integers that correspond to the ids, randomly shuffle them, and then get each row in the randomized order and write them to a new db. + +We provide some helper functions in [../ocp-tutorial.ipynb](../ocp-tutorial) to streamline this process. + +```{code-cell} ipython3 +! rm -fr train.db test.db val.db +train, test, val = train_test_val_split('oxides.db') +train, test, val +``` + +## Setting up the configuration yaml file + +We have to create a yaml configuration file for the model we are using. The pre-trained checkpoints contain their config data, so we use this to get the base configuration, and then remove pieces we don't need, and update pieces we do need. + +```{code-cell} ipython3 +yml = generate_yml_config(checkpoint, 'config.yml', + delete=['slurm', 'cmd', 'logger', 'task', 'model_attributes', + 'optim.loss_force', # the checkpoint setting causes an error + 'dataset', 'test_dataset', 'val_dataset'], + update={'gpus': 1, + 'task.dataset': 'ase_db', + 'optim.eval_every': 1, + 'optim.max_epochs': 10, + # Train data + 'dataset.train.src': 'train.db', + 'dataset.train.a2g_args.r_energy': True, + 'dataset.train.a2g_args.r_forces': True, + # Test data - prediction only so no regression + 'dataset.test.src': 'test.db', + 'dataset.test.a2g_args.r_energy': False, + 'dataset.test.a2g_args.r_forces': False, + # val data + 'dataset.val.src': 'val.db', + 'dataset.val.a2g_args.r_energy': True, + 'dataset.val.a2g_args.r_forces': True, + }) + +yml +``` + +```{code-cell} ipython3 +! cat config.yml +``` + +## Running the training job + +`ocp` provides a `main.py` file that is used for training. Here we construct the Python command you need to run, and run it. `main.py` is not executable, so we have to run it with python, and you need the absolute path to it, which we get from the `ocp_main()` that is defined in the [utilities](../ocp-tutorial). + +you must set a `mode` and provide a `config-yml`. We provide a checkpoint for a starting point, if you don't do this, it will start from scratch. + +By default the files that are created go in a directories called `checkpoints`, `logs` and `results`. You can change that with a `--run-dir preferred-place` option. + +You can also add an identifier tag to the end of the timestamps with `--identifier tag`. This can make it easier to find them later. + +The cell below uses some IPython magic to put Python variables in the shell command. + +This command takes some time to run even on a GPU, e.g. about 30 minutes. + +It is advisable to redirect the outputs to files. The reason is that if the outputs are very large, the notebook may not be able to be saved. This also makes your notebooks more reproducible. The checkpoints are stored in time-stamped directories that change everytime you run them. Below we show how to reproducibly retrieve this directory name in a way that allows you to run the notebook again later, while automatically updating the directory name. + +You can follow how the training is going by opening a terminal and running + + tail -f train.txt + +You can also visit it in a browser at [train.txt](./train.txt). You have to periodically refresh the view to see updates though. + +This can take up to 30 minutes for 80 epochs, so we only do a few here to see what happens. + +```{code-cell} ipython3 +:tags: [hide-output] + +import time +t0 = time.time() +! python {ocp_main()} --mode train --config-yml $yml --checkpoint $checkpoint \ + --run-dir fine-tuning --identifier ft-oxides --amp > train.txt 2>&1 +print(f'Elapsed time = {time.time() - t0:1.1f} seconds') +``` + +Now since we have a file, we can find the training results in it. See [train.txt](./train.txt). At the top, the config is printed, so we can get the checkpoint directory. I use shell commands and Python to get the line, split and strip it here. + +```{code-cell} ipython3 +cpline = !grep "checkpoint_dir:" train.txt +cpdir = cpline[0].split(':')[-1].strip() +cpdir +``` + +There will be two files in there: `checkpoint.pt` and `best_checkpoint.pt`. + +The `best_checkpoint.pt` is the one that performs best on the validation dataset. The `checkpoint.pt` is the most recently saved one. Probably it has the lowest loss in training, but this could be an indication of overfitting. You have to use some judgement in determining which one to use, and if it is sufficiently accurate for your needs. It may need additional training to further improve it. + +```{code-cell} ipython3 +newckpt = cpdir + '/checkpoint.pt' +newcalc = OCPCalculator(checkpoint=newckpt, cpu=False) +``` + +```{code-cell} ipython3 +eos_data = {} +for oxide in oxides: + eos_data[oxide] = {} + for polymorph in polymorphs: + dft = [] + ocp = [] + vols = [] + calculations = d[oxide][polymorph]['PBE']['EOS']['calculations'] + for c in calculations: + + atoms = Atoms(symbols=c['atoms']['symbols'], + positions=c['atoms']['positions'], + cell=c['atoms']['cell'], + pbc=c['atoms']['pbc']) + atoms.set_tags(np.ones(len(atoms))) + + atoms.calc = newcalc + ocp += [atoms.get_potential_energy() / len(atoms)] + dft += [c['data']['total_energy'] / len(atoms)] + vols += [atoms.get_volume()] + plt.plot(dft, ocp, marker='s' if oxide == 'VO2' else '.', + alpha=0.5, label=f'{oxide}-{polymorph}') + eos_data[oxide][polymorph] = (vols, dft, ocp) + +plt.xlabel('DFT (eV/atom)') +plt.ylabel('OCP (eV/atom)') +plt.legend(loc='center left', bbox_to_anchor=(1, 0.5), ncol=3); +``` + +```{code-cell} ipython3 +mae = np.mean(np.abs(np.array(dft) - np.array(ocp))) +print(f'New MAE = {mae:1.3f} eV/atom') +``` + +This is a substantial improvement! We can see what it means in terms of the Equations of State. There is still not perfect agreement, but the curves are closer together. Additional fine tuning, or a better model could probably still improve this. + +```{code-cell} ipython3 +oxide, polymorph = 'VO2', 'fluorite' +V, D, O = eos_data[oxide][polymorph] + +plt.plot(V, D, label='dft') +plt.plot(V, O, label='ocp') +plt.title(f'fine-tuned {oxide} - {polymorph}') +plt.legend(); +``` + +It is possible to continue refining the fit. The simple things to do are to use more epochs of training. Eventually the MAE will stabilize, and then it may be necessary to adjust other optimization parameters like the learning rate (usually you decrease it). + +Depending on what is important to you, you may consider changing the relative importances of energy and forces; you can often trade off accuracy of one for the other. It may be necessary to add additional data to cover the composition and configuration space more thoroughly. + +There are also other models you could consider. Newer models tend to be more accurate, but they may also be more expensive to run. These are all compromises you can consider. + ++++ + +# Next steps + +You might want to check out the [gotchas](../gotchas) notebook. It has some examples of things we have seen go wrong before. + +The [advanced](../advanced) folder contains several concepts that are more advanced. These include: + +1. [Mass inference](../advanced/mass-inference) which is more efficient than the ASE calculator +2. [Working with embeddings](../advanced/embeddings) which shows some ways to use the embeddings from OCP +3. [Fine-tuning in python](../advanced/fine-tuning-in-python) diff --git a/_sources/tutorial/gotchas.md b/_sources/tutorial/gotchas.md new file mode 100644 index 000000000..4d9b82915 --- /dev/null +++ b/_sources/tutorial/gotchas.md @@ -0,0 +1,284 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Common gotchas with OCP +--------------------------------- + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb +``` + +# OutOfMemoryError + +If you see errors like: + +``` +torch.cuda.OutOfMemoryError: CUDA out of memory. Tried to allocate 390.00 MiB (GPU 0; 10.76 GiB total capacity; 9.59 GiB already allocated; 170.06 MiB free; 9.81 GiB reserved in total by PyTorch) If reserved memory is >> allocated memory try setting max_split_size_mb to avoid fragmentation. See documentation for Memory Management and PYTORCH_CUDA_ALLOC_CONF +``` + +It means your GPU is out of memory. Some reasons could be that you have multiple notebooks open that are using the GPU, e.g. they have loaded a calculator or something. Try closing all the other notebooks. + +It could also mean the batch size is too large to fit in memory. You can try making it smaller in the yml config file (optim.batch_size). + +It is recommended you use automatic mixed precision, --amp, in the options to main.py, or in the config.yml. + +If it is an option, you can try a GPU with more memory, or you may be able to split the job over multiple GPUs. + ++++ + +# I want the energy of a gas phase atom + +But I get an error like + +``` +RuntimeError: cannot reshape tensor of 0 elements into shape [0, -1] because the unspecified dimension size -1 can be any value and is ambiguous +``` + +The problem here is that no neighbors are found for the single atom which causes an error. This may be model dependent. There is currently no way to get atomic energies for some models. + +```{code-cell} ipython3 +%%capture +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +cp = "gnoc_oc22_oc20_all_s2ef.pt" +calc = OCPCalculator(checkpoint=cp) +``` + +```{code-cell} ipython3 +from ase.build import bulk +atoms = bulk('Cu', a=10) +atoms.set_calculator(calc) +atoms.get_potential_energy() +``` + +# I get wildly different energies from the different models + +Some models are trained on adsorption energies, and some are trained on total energies. You have to know which one you are using. + +Sometimes you can tell by the magnitude of energies, but you should use care with this. If energies are "small" and near zero they are likely adsorption energies. If energies are "large" in magnitude they are probably total energies. This can be misleading though, as it depends on the total number of atoms in the systems. + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb + +# These are to suppress the output from making the calculators. +from io import StringIO +import contextlib +``` + +```{code-cell} ipython3 +from ase.build import fcc111, add_adsorbate +slab = fcc111('Pt', size=(2, 2, 5), vacuum=10.0) +add_adsorbate(slab, 'O', height=1.2, position='fcc') +``` + +```{code-cell} ipython3 +# OC20 model - trained on adsorption energies +checkpoint = get_checkpoint('GemNet-OC All') + +with contextlib.redirect_stdout(StringIO()) as _: + calc = OCPCalculator(checkpoint=os.path.expanduser(checkpoint), cpu=False) + + + +slab.set_calculator(calc) +slab.get_potential_energy() +``` + +```{code-cell} ipython3 +# An OC22 checkpoint - trained on total energy +checkpoint = get_checkpoint('GemNet-OC OC22') + +with contextlib.redirect_stdout(StringIO()) as _: + calc = OCPCalculator(checkpoint=checkpoint, cpu=False) + + + +slab.set_calculator(calc) +slab.get_potential_energy() +``` + +```{code-cell} ipython3 +# This eSCN model is trained on adsorption energies +checkpoint = get_checkpoint('eSCN-L4-M2-Lay12 2M') + +with contextlib.redirect_stdout(StringIO()) as _: + calc = OCPCalculator(checkpoint=checkpoint, cpu=False) + +slab.set_calculator(calc) +slab.get_potential_energy() +``` + +# Miscellaneous warnings + +In general, warnings are not errors. + +## Unrecognized arguments + +With Gemnet models you might see warnings like: + +``` +WARNING:root:Unrecognized arguments: ['symmetric_edge_symmetrization'] +``` + +You can ignore this warning, it is not important for predictions. + +## Unable to identify OCP trainer + +The trainer is not specified in some checkpoints, and defaults to `forces` which means energy and forces are calculated. This is the default for the ASE OCP calculator, and this warning just alerts you it is setting that. + +``` +WARNING:root:Unable to identify OCP trainer, defaulting to `forces`. Specify the `trainer` argument into OCPCalculator if otherwise. +``` + ++++ + +# Request entity too large - can't save your Notebook + +If you run commands that generate a lot of output in a notebook, sometimes the Jupyter notebook will become too large to save. It is kind of sad, the only thing I know to do is delete the output of the cell. Then maybe you can save it. + +A solution after you know it happens is redirect output to a file. + +This has happened when running training in a notebook where there are too many lines of output, or if you have a lot (20+) of inline images. + ++++ + +# You need at least four atoms for molecules with some models + +Gemnet in particular seems to require at least 4 atoms. This has to do with interactions between atoms and their neighbors. + +```{code-cell} ipython3 +%%capture +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import os +cp = checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +calc = OCPCalculator(checkpoint=cp) +``` + +```{code-cell} ipython3 +from ase.build import molecule +atoms = molecule('H2O') +atoms.set_tags(np.ones(len(atoms))) +atoms.set_calculator(calc) +atoms.get_potential_energy() +``` + +# To tag or not? + +Some models use tags to determine which atoms to calculate energies for. For example, Gemnet uses a tag=1 to indicate the atom should be calculated. You will get an error with this model + +```{code-cell} ipython3 +%%capture +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import os +cp = checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +calc = OCPCalculator(checkpoint=cp) +``` + +```{code-cell} ipython3 +atoms = molecule('CH4') +atoms.set_calculator(calc) +atoms.get_potential_energy() # error +``` + +```{code-cell} ipython3 +atoms = molecule('CH4') +atoms.set_tags(np.ones(len(atoms))) # <- critical line for Gemnet +atoms.set_calculator(calc) +atoms.get_potential_energy() +``` + +Not all models require tags though. This eSCN model does not use them. This is another detail that is important to keep in mind. + +```{code-cell} ipython3 +%%capture +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +import os +cp = checkpoint = get_checkpoint('eSCN-L6-M3-Lay20 All+MD') +calc = OCPCalculator(checkpoint=cp) +``` + +```{code-cell} ipython3 +atoms = molecule('CH4') + +atoms.set_calculator(calc) +atoms.get_potential_energy() +``` + +# Stochastic simulation results + +Some models are not deterministic (SCN/eSCN.EqV2), i.e. you can get slightly different answers each time you run it. An example is shown below. See https://github.com/Open-Catalyst-Project/ocp/issues/563 for more discussion. This happens because a random selection of is made to sample edges, and a different selection is made each time you run it. + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb +checkpoint = get_checkpoint('eSCN-L6-M3-Lay20 All+MD') + +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint=os.path.expanduser(checkpoint), cpu=True) + +from ase.build import fcc111, add_adsorbate +from ase.optimize import BFGS +slab = fcc111('Pt', size=(2, 2, 5), vacuum=10.0) +add_adsorbate(slab, 'O', height=1.2, position='fcc') +slab.set_calculator(calc) + +results = [] +for i in range(10): + calc.calculate(slab, ['energy'], None) + results += [slab.get_potential_energy()] + +import numpy as np +print(np.mean(results), np.std(results)) +for result in results: + print(result) +``` + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb + +import os +from ocpmodels.common.relaxation.ase_utils import OCPCalculator + +for ckp in checkpoints: + try: + checkpoint = get_checkpoint(ckp) + calc = OCPCalculator(checkpoint, cpu=True) + except Exception as exc: + print(ckp, exc) + finally: + os.unlink(checkpoint) +``` + +# The forces don't sum to zero + +In DFT, the forces on all the atoms should sum to zero; otherwise, there is a net translational or rotational force present. This is not enforced in OCP models. Instead, individual forces are predicted, with no constraint that they sum to zero. If the force predictions are very accurate, then they sum close to zero. You can further improve this if you subtract the mean force from each atom. + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb +checkpoint = get_checkpoint('eSCN-L6-M3-Lay20 All+MD') + +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +calc = OCPCalculator(checkpoint=os.path.expanduser(checkpoint), cpu=True) + +from ase.build import fcc111, add_adsorbate +from ase.optimize import BFGS +slab = fcc111('Pt', size=(2, 2, 5), vacuum=10.0) +add_adsorbate(slab, 'O', height=1.2, position='fcc') +slab.set_calculator(calc) + +f = slab.get_forces() +f.sum(axis=0) +``` + +```{code-cell} ipython3 +# This makes them sum closer to zero by removing net translational force +(f - f.mean(axis=0)).sum(axis=0) +``` diff --git a/_sources/tutorial/intro.md b/_sources/tutorial/intro.md new file mode 100644 index 000000000..aa2bf3db3 --- /dev/null +++ b/_sources/tutorial/intro.md @@ -0,0 +1,99 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +Utilizing large, graph-based, pre-trained machine learned potentials in atomistic simulations +---------- + +# Abstract + +The most recent, state of the art machine learned potentials in atomistic simulations are based on graph models that are trained on large (1M+) datasets. These models can be downloaded and used in a wide array of applications ranging from catalysis to materials properties. These pre-trained models can be used on their own, to accelerate DFT calculation, and they can also be used as a starting point to fine-tune new models for specific tasks. In this workshop we will focus on large, graph-based, pre-trained machine learned models from the Open Catalyst Project (OCP) to showcase how they can be used for these purposes. OCP provides several pre-trained models for a variety of tasks related to atomistic simulations. We will explain what these models are, how they differ, and details of the datasets they are trained from. We will introduce an Atomic Simulation Environment (ase) calculator that leverages an OCP pre-trained model for typical simulation tasks including adsorbate geometry relaxation, adsorption energy calculations, and reaction energies. We will show how pre-trained models can be fine-tuned on new data sets for new tasks. We will also discuss current limitations of the models and opportunities for future research. Participants will need a laptop with internet capability. A computational environment accessible via the internet will be provided. + ++++ + +# Introduction + +Density functional theory (DFT) has been a mainstay in molecular simulation, but its high computational cost limits the number and size of simulations that are practical. Over the past two decades machine learning has increasingly been used to build surrogate models to supplement DFT. We call these models machine learned potentials (MLP) In the early days, neural networks were trained using the cartesian coordinates of atomistic systems as features with some success. These features lack important physical properties, notably they lack invariance to rotations, translations and permutations, and they are extensive features, which limit them to the specific system being investigated. About 15 years ago, a new set of features called symmetry functions were developed that were intensive, and which had these invariances. These functions enabled substantial progress in MLP, but they had a few important limitations. First, the size of the feature vector scaled quadratically with the number of elements, practically limiting the MLP to 4-5 elements. Second, composition was usually implicit in the functions, which limited the transferrability of the MLP to new systems. Finally, these functions were "hand-crafted", with limited or no adaptability to the systems being explored, thus one needed to use judgement and experience to select them. While progess has been made in mitigating these limitations, a new approach has overtaken these methods. + +Today, the state of the art in machine learned potentials uses graph convolutions to generate the feature vectors. In this approach, atomistic systems are represented as graphs where each node is an atom, and the edges connect the nodes (atoms) and roughly represent interactions or bonds between atoms. Then, there are machine learnable convolution functions that operate on the graph to generate feature vectors. These operators can work on pairs, triplets and quadruplets of nodes to compute "messages" that are passed to the central node (atom) and accumulated into the feature vector. This feature generate method can be constructed with all the desired invariances, the functions are machine learnable, and adapt to the systems being studied, and it scales well to high numbers of elements (the current models handle 50+ elements). These kind of MLPs began appearing regularly in the literature around 2016. + +Today an MLP consists of three things: + +1. A model that takes an atomistic system, generates features and relates those features to some output. +2. A dataset that provides the atomistic systems and the desired output labels. This label could be energy, forces, or other atomistic properties. +3. A checkpoint that stores the trained model for use in predictions. + +The [Open Catalyst Project (OCP)](https://github.com/Open-Catalyst-Project) is an umbrella for these machine learned potential models, data sets, and checkpoints from training. + ++++ + +## Models + +OCP provides several [models](https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md). Each model represents a different approach to featurization, and a different machine learning architecture. The models can be used for different tasks, and you will find different checkpoints associated with different datasets and tasks. + +- CGCNN [[`arXiv`](https://arxiv.org/abs/1710.10324)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/cgcnn.py)] +- SchNet [[`arXiv`](https://arxiv.org/abs/1706.08566)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/schnet.py)] +- DimeNet [[`arXiv`](https://arxiv.org/abs/2003.03123)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/dimenet.py)] +- ForceNet [[`arXiv`](https://arxiv.org/abs/2103.01436)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/forcenet.py)] +- DimeNet++ [[`arXiv`](https://arxiv.org/abs/2011.14115)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/dimenet_plus_plus.py)] +- SpinConv [[`arXiv`](https://arxiv.org/abs/2106.09575)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/blob/main/ocpmodels/models/spinconv.py)] +- GemNet-dT [[`arXiv`](https://arxiv.org/abs/2106.08903)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet)] +- PaiNN [[`arXiv`](https://arxiv.org/abs/2102.03150)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/painn)] +- Graph Parallelism [[`arXiv`](https://arxiv.org/abs/2203.09697)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet_gp)] +- GemNet-OC [[`arXiv`](https://arxiv.org/abs/2204.02782)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/gemnet_oc)] +- SCN [[`arXiv`](https://arxiv.org/abs/2206.14331)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/scn)] +- eSCN [[`arXiv`](https://arxiv.org/abs/2302.03655)] [[`code`](https://github.com/Open-Catalyst-Project/ocp/tree/main/ocpmodels/models/escn)] + ++++ + +## Datasets / Tasks + +OCP provides several different [datasets](https://github.com/Open-Catalyst-Project/ocp/blob/main/DATASET.md) that correspond to different tasks that range from predicting energy and forces from structures to Bader charges, relaxation energies, and others. + ++++ + +## Checkpoints + +To use a pre-trained model you need to have [ocp](https://github.com/Open-Catalyst-Project/ocp) installed. Then you need to choose a checkpoint and config file which will be loaded to configure OCP for the predictions you want to make. There are two approaches to running OCP, via scripts in a shell, or using an ASE compatible calculator. + +We will focus on the ASE compatible calculator here. To facilitate using the checkpoints, there is a set of [utilities](./ocp-tutorial) for this tutorial. You can list the checkpoints that are readily available here: + +```{code-cell} ipython3 +%run ocp-tutorial.ipynb +``` + +```{code-cell} ipython3 +list_checkpoints() +``` + +You can get a checkpoint file with one of the keys listed above like this. The resulting string is the name of the file downloaded, and you use that when creating an OCP calculator later. + +```{code-cell} ipython3 +checkpoint = get_checkpoint('GemNet-OC OC20+OC22') +checkpoint +``` + +# Goals for this tutorial + +This tutorial will start by using OCP in a Jupyter notebook to setup some simple calculations that use OCP to compute energy and forces, for structure optimization, and then an example of fine-tuning a model with new data. + ++++ + +# About the compute environment + +[ocp-tutorial.ipynb](./ocp-tutorial) provides `describe_ocp` to output information that might be helpful in debugging. + +```{code-cell} ipython3 +describe_ocp() +``` + +Let's get started! Click here to open the [next notebook](./OCP-introduction). diff --git a/_sources/tutorial/ocp-modules/ase-calculator.rst b/_sources/tutorial/ocp-modules/ase-calculator.rst new file mode 100644 index 000000000..8711367ea --- /dev/null +++ b/_sources/tutorial/ocp-modules/ase-calculator.rst @@ -0,0 +1,6 @@ +ASE-compatible calculator for OCP +================================= + +.. autoclass:: ocpmodels.common.relaxation.ase_utils.OCPCalculator + :members: + diff --git a/_sources/tutorial/ocp-tutorial.md b/_sources/tutorial/ocp-tutorial.md new file mode 100644 index 000000000..667bfe284 --- /dev/null +++ b/_sources/tutorial/ocp-tutorial.md @@ -0,0 +1,287 @@ +--- +jupytext: + text_representation: + extension: .md + format_name: myst + format_version: 0.13 + jupytext_version: 1.16.1 +kernelspec: + display_name: Python 3 (ipykernel) + language: python + name: python3 +--- + +# Convenience functions for getting ocp paths + +```{code-cell} ipython3 +import ocpmodels as om +from pathlib import Path + +def ocp_root(): + """Return the root directory of the installed ocp package.""" + return Path(om.__file__).parent.parent + +def ocp_main(): + """Return the path to ocp main.py""" + return ocp_root() / "main.py" +``` + +```{code-cell} ipython3 +import subprocess +import sys +import numba +import numpy as np +import ase +import e3nn +import pymatgen.core as pc +import torch +import torch.cuda as tc +import torch_geometric as tg +import platform +import psutil + + +def describe_ocp(): + """Print some system information that could be useful in debugging.""" + print(sys.executable, sys.version) + print(f'ocp is installed at {ocp_root()}') + + commit_hash = ( + subprocess.check_output( + [ + "git", + "-C", + om.__path__[0], + "describe", + "--always", + ] + ) + .strip() + .decode("ascii") + ) + print(f'ocp repo is at git commit: {commit_hash}') + print(f'numba: {numba.__version__}') + print(f'numpy: {np.version.version}') + print(f'ase: {ase.__version__}') + print(f'e3nn: {e3nn.__version__}') + print(f'pymatgen: {pc.__version__}') + print(f'torch: {torch.version.__version__}') + print(f'torch.version.cuda: {torch.version.cuda}') + print(f'torch.cuda: is_available: {tc.is_available()}') + if tc.is_available(): + print(' __CUDNN VERSION:', torch.backends.cudnn.version()) + print(' __Number CUDA Devices:', torch.cuda.device_count()) + print(' __CUDA Device Name:',torch.cuda.get_device_name(0)) + print(' __CUDA Device Total Memory [GB]:',torch.cuda.get_device_properties(0).total_memory/1e9) + print(f'torch geometric: {tg.__version__}') + print() + print(f'Platform: {platform.platform()}') + print(f' Processor: {platform.processor()}') + print(f' Virtual memory: {psutil.virtual_memory()}') + print(f' Swap memory: {psutil.swap_memory()}') + print(f' Disk usage: {psutil.disk_usage("/")}') +``` + +# Convenience function for getting checkpoints + +```{code-cell} ipython3 +import urllib +import os +from pathlib import Path +import requests + +checkpoints = { + # Open Catalyst 2020 (OC20) + 'CGCNN 200k' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_200k.pt', + 'CGCNN 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_2M.pt', + 'CGCNN 20M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_20M.pt', + 'CGCNN All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/cgcnn_all.pt', + 'DimeNet 200k' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/dimenet_200k.pt', + 'DimeNet 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/dimenet_2M.pt', + 'SchNet 200k' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_200k.pt', + 'SchNet 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_2M.pt', + 'SchNet 20M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_20M.pt', + 'SchNet All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2020_11/s2ef/schnet_all_large.pt', + 'DimeNet++ 200k' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_200k.pt', + 'DimeNet++ 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_2M.pt', + 'DimeNet++ 20M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_20M.pt', + 'DimeNet++ All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_02/s2ef/dimenetpp_all.pt', + 'SpinConv 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_12/s2ef/spinconv_force_centric_2M.pt', + 'SpinConv All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_08/s2ef/spinconv_force_centric_all.pt', + 'GemNet-dT 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_12/s2ef/gemnet_t_direct_h512_2M.pt', + 'GemNet-dT All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2021_08/s2ef/gemnet_t_direct_h512_all.pt', + 'PaiNN All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_05/s2ef/painn_h512_s2ef_all.pt', + 'GemNet-OC 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_base_s2ef_2M.pt', + 'GemNet-OC All' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_base_s2ef_all.pt', + 'GemNet-OC All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/gemnet_oc_base_s2ef_all_md.pt', + 'GemNet-OC-Large All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_07/s2ef/gemnet_oc_large_s2ef_all_md.pt', + 'SCN 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_t1_b1_s2ef_2M.pt', + 'SCN-t4-b2 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_t4_b2_s2ef_2M.pt', + 'SCN All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/scn_all_md_s2ef.pt', + 'eSCN-L4-M2-Lay12 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l4_m2_lay12_2M_s2ef.pt', + 'eSCN-L6-M2-Lay12 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m2_lay12_2M_s2ef.pt', + 'eSCN-L6-M2-Lay12 All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m2_lay12_all_md_s2ef.pt', + 'eSCN-L6-M3-Lay20 All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_03/s2ef/escn_l6_m3_lay20_all_md_s2ef.pt', + 'EquiformerV2 (83M) 2M' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_83M_2M.pt', + 'EquiformerV2 (31M) All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_31M_ec4_allmd.pt', + 'EquiformerV2 (153M) All+MD' :'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_06/oc20/s2ef/eq2_153M_ec4_allmd.pt', + # Open Catalyst 2022 (OC22) + 'GemNet-dT OC22' : 'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gndt_oc22_all_s2ef.pt', + 'GemNet-OC OC22' : 'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_oc22_all_s2ef.pt', + 'GemNet-OC OC20+OC22' : 'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_oc22_oc20_all_s2ef.pt', + 'GemNet-OC trained with `enforce_max_neighbors_strictly=False` #467 OC20+OC22' : 'https://dl.fbaipublicfiles.com/opencatalystproject/models/2023_05/oc22/s2ef/gnoc_oc22_oc20_all_s2ef.pt', + 'GemNet-OC OC20->OC22' : 'https://dl.fbaipublicfiles.com/opencatalystproject/models/2022_09/oc22/s2ef/gnoc_finetune_all_s2ef.pt' + } + +def list_checkpoints(): + """List checkpoints that are available to download.""" + print('See https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md for more details.') + for key in checkpoints: + print(key) + print('Copy one of these keys to get_checkpoint(key) to download it.') + + +def get_checkpoint(key): + """Download a checkpoint. + + key: string in checkpoints. + + Returns name of checkpoint that was saved. + """ + url = checkpoints.get(key, None) + if url is None: + raise Exception('No url found for {key}') + + pt = Path(urllib.parse.urlparse(url).path).name + + if not os.path.exists(pt): + with open(pt, 'wb') as f: + print(f'Downloading {url}') + f.write(requests.get(url).content) + return pt +``` + +# Train/test/val split for an ase db + +```{code-cell} ipython3 +from pathlib import Path +import numpy as np +from ase.db import connect + +def train_test_val_split(ase_db, ttv=(0.8, 0.1, .1), files=('train.db', 'test.db', 'val.db'), seed=42): + """Split an ase db into train, test and validation dbs. + + ase_db: path to an ase db containing all the data. + ttv: a tuple containing the fraction of train, test and val data. This will be normalized. + files: a tuple of filenames to write the splits into. An exception is raised if these exist. + You should delete them first. + seed: an integer for the random number generator seed + + Returns the absolute path to files. + """ + + for db in files: + if os.path.exists(db): + raise Exception('{db} exists. Please delete it before proceeding.') + + src = connect(ase_db) + N = src.count() + + ttv = np.array(ttv) + ttv /= ttv.sum() + + train_end = int(N * ttv[0]) + test_end = train_end + int(N * ttv[1]) + + train = connect(files[0]) + test = connect(files[1]) + val = connect(files[2]) + + ids = np.arange(1, N + 1) + rng = np.random.default_rng(seed=42) + rng.shuffle(ids) + + for _id in ids[0:train_end]: + row = src.get(id=int(_id)) + train.write(row.toatoms()) + + for _id in ids[train_end:test_end]: + row = src.get(id=int(_id)) + test.write(row.toatoms()) + + for _id in ids[test_end:]: + row = src.get(id=int(_id)) + val.write(row.toatoms()) + + return [Path(f).absolute() for f in files] +``` + +# Generating a config from a checkpoint + +```{code-cell} ipython3 +from yaml import load, dump +from yaml import CLoader as Loader, CDumper as Dumper +import torch +import os +from ocpmodels.common.relaxation.ase_utils import OCPCalculator +from io import StringIO +import sys +import contextlib + +def generate_yml_config(checkpoint_path, yml='run.yml', delete=(), update=()): + """Generate a yml config file from an existing checkpoint file. + + checkpoint_path: string to path of an existing checkpoint + yml: name of file to write to. + pop: list of keys to remove from the config + update: dictionary of key:values to update + + Use a dot notation in update. + + Returns an absolute path to the generated yml file. + """ + + # You can't just read in the checkpoint with torch. The calculator does some things to it. + # Rather than recreate that here I just reuse the calculator machinery. I don't want to + # see the output though, so I capture it. + + with contextlib.redirect_stdout(StringIO()) as _: + config = OCPCalculator(checkpoint=checkpoint_path).config + + for key in delete: + if key in config and len(key.split('.')) == 1: + del config[key] + else: + keys = key.split('.') + if keys[0] in config: + d = config[keys[0]] + else: + continue + if isinstance(d, dict): + for k in keys[1:]: + if isinstance(d[k], dict): + d = d[k] + else: + if k in d: + del d[k] + + def nested_set(dic, keys, value): + for key in keys[:-1]: + dic = dic.setdefault(key, {}) + dic[keys[-1]] = value + + for _key in update: + keys = _key.split('.') + nested_set(config, keys, update[_key]) + + + out = dump(config) + with open(yml, 'wb') as f: + f.write(out.encode('utf-8')) + + return Path(yml).absolute() +``` + +```{code-cell} ipython3 + +``` diff --git a/_sphinx_design_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css 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div.math p { + text-align: center; +} + +span.eqno { + float: right; +} + +span.eqno a.headerlink { + position: absolute; + z-index: 1; +} + +div.math:hover a.headerlink { + visibility: visible; +} + +/* -- printout stylesheet --------------------------------------------------- */ + +@media print { + div.document, + div.documentwrapper, + div.bodywrapper { + margin: 0 !important; + width: 100%; + } + + div.sphinxsidebar, + div.related, + div.footer, + #top-link { + display: none; + } +} \ No newline at end of file diff --git a/_static/check-solid.svg b/_static/check-solid.svg new file mode 100644 index 000000000..92fad4b5c --- /dev/null +++ b/_static/check-solid.svg @@ -0,0 +1,4 @@ + + + + diff --git a/_static/clipboard.min.js b/_static/clipboard.min.js new file mode 100644 index 000000000..54b3c4638 --- /dev/null +++ b/_static/clipboard.min.js @@ -0,0 +1,7 @@ +/*! + * clipboard.js v2.0.8 + * https://clipboardjs.com/ + * + * Licensed MIT © Zeno Rocha + */ +!function(t,e){"object"==typeof exports&&"object"==typeof module?module.exports=e():"function"==typeof define&&define.amd?define([],e):"object"==typeof exports?exports.ClipboardJS=e():t.ClipboardJS=e()}(this,function(){return n={686:function(t,e,n){"use strict";n.d(e,{default:function(){return o}});var e=n(279),i=n.n(e),e=n(370),u=n.n(e),e=n(817),c=n.n(e);function a(t){try{return document.execCommand(t)}catch(t){return}}var f=function(t){t=c()(t);return a("cut"),t};var l=function(t){var e,n,o,r=1 + + + + diff --git a/_static/copybutton.css b/_static/copybutton.css new file mode 100644 index 000000000..f1916ec7d --- /dev/null +++ b/_static/copybutton.css @@ -0,0 +1,94 @@ +/* Copy buttons */ +button.copybtn { + position: absolute; + display: flex; + top: .3em; + right: .3em; + width: 1.7em; + height: 1.7em; + opacity: 0; + transition: opacity 0.3s, border .3s, background-color .3s; + user-select: none; + padding: 0; + border: none; + outline: none; + border-radius: 0.4em; + /* The colors that GitHub uses */ + border: #1b1f2426 1px solid; + background-color: #f6f8fa; + color: #57606a; +} + +button.copybtn.success { + border-color: #22863a; + color: #22863a; +} + +button.copybtn svg { + stroke: currentColor; + width: 1.5em; + height: 1.5em; + padding: 0.1em; +} + +div.highlight { + position: relative; +} + +/* Show the copybutton */ +.highlight:hover button.copybtn, button.copybtn.success { + opacity: 1; +} + +.highlight button.copybtn:hover { + background-color: rgb(235, 235, 235); +} + +.highlight button.copybtn:active { + background-color: rgb(187, 187, 187); +} + +/** + * A minimal CSS-only tooltip copied from: + * https://codepen.io/mildrenben/pen/rVBrpK + * + * To use, write HTML like the following: + * + *

Short

+ */ + .o-tooltip--left { + position: relative; + } + + .o-tooltip--left:after { + opacity: 0; + visibility: hidden; + position: absolute; + content: attr(data-tooltip); + padding: .2em; + font-size: .8em; + left: -.2em; + background: grey; + color: white; + white-space: nowrap; + z-index: 2; + border-radius: 2px; + transform: translateX(-102%) translateY(0); + transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); +} + +.o-tooltip--left:hover:after { + display: block; + opacity: 1; + visibility: visible; + transform: translateX(-100%) translateY(0); + transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); + transition-delay: .5s; +} + +/* By default the copy button shouldn't show up when printing a page */ +@media print { + button.copybtn { + display: none; + } +} diff --git a/_static/copybutton.js b/_static/copybutton.js new file mode 100644 index 000000000..2ea7ff3e2 --- /dev/null +++ b/_static/copybutton.js @@ -0,0 +1,248 @@ +// Localization support +const messages = { + 'en': { + 'copy': 'Copy', + 'copy_to_clipboard': 'Copy to clipboard', + 'copy_success': 'Copied!', + 'copy_failure': 'Failed to copy', + }, + 'es' : { + 'copy': 'Copiar', + 'copy_to_clipboard': 'Copiar al portapapeles', + 'copy_success': '¡Copiado!', + 'copy_failure': 'Error al copiar', + }, + 'de' : { + 'copy': 'Kopieren', + 'copy_to_clipboard': 'In die Zwischenablage kopieren', + 'copy_success': 'Kopiert!', + 'copy_failure': 'Fehler beim Kopieren', + }, + 'fr' : { + 'copy': 'Copier', + 'copy_to_clipboard': 'Copier dans le presse-papier', + 'copy_success': 'Copié !', + 'copy_failure': 'Échec de la copie', + }, + 'ru': { + 'copy': 'Скопировать', + 'copy_to_clipboard': 'Скопировать в буфер', + 'copy_success': 'Скопировано!', + 'copy_failure': 'Не удалось скопировать', + }, + 'zh-CN': { + 'copy': '复制', + 'copy_to_clipboard': '复制到剪贴板', + 'copy_success': '复制成功!', + 'copy_failure': '复制失败', + }, + 'it' : { + 'copy': 'Copiare', + 'copy_to_clipboard': 'Copiato negli appunti', + 'copy_success': 'Copiato!', + 'copy_failure': 'Errore durante la copia', + } +} + +let locale = 'en' +if( document.documentElement.lang !== undefined + && messages[document.documentElement.lang] !== undefined ) { + locale = document.documentElement.lang +} + +let doc_url_root = DOCUMENTATION_OPTIONS.URL_ROOT; +if (doc_url_root == '#') { + doc_url_root = ''; +} + +/** + * SVG files for our copy buttons + */ +let iconCheck = ` + ${messages[locale]['copy_success']} + + +` + +// If the user specified their own SVG use that, otherwise use the default +let iconCopy = ``; +if (!iconCopy) { + iconCopy = ` + ${messages[locale]['copy_to_clipboard']} + + + +` +} + +/** + * Set up copy/paste for code blocks + */ + +const runWhenDOMLoaded = cb => { + if (document.readyState != 'loading') { + cb() + } else if (document.addEventListener) { + document.addEventListener('DOMContentLoaded', cb) + } else { + document.attachEvent('onreadystatechange', function() { + if (document.readyState == 'complete') cb() + }) + } +} + +const codeCellId = index => `codecell${index}` + +// Clears selected text since ClipboardJS will select the text when copying +const clearSelection = () => { + if (window.getSelection) { + window.getSelection().removeAllRanges() + } else if (document.selection) { + document.selection.empty() + } +} + +// Changes tooltip text for a moment, then changes it back +// We want the timeout of our `success` class to be a bit shorter than the +// tooltip and icon change, so that we can hide the icon before changing back. +var timeoutIcon = 2000; +var timeoutSuccessClass = 1500; + +const temporarilyChangeTooltip = (el, oldText, newText) => { + el.setAttribute('data-tooltip', newText) + el.classList.add('success') + // Remove success a little bit sooner than we change the tooltip + // So that we can use CSS to hide the copybutton first + setTimeout(() => el.classList.remove('success'), timeoutSuccessClass) + setTimeout(() => el.setAttribute('data-tooltip', oldText), timeoutIcon) +} + +// Changes the copy button icon for two seconds, then changes it back +const temporarilyChangeIcon = (el) => { + el.innerHTML = iconCheck; + setTimeout(() => {el.innerHTML = iconCopy}, timeoutIcon) +} + +const addCopyButtonToCodeCells = () => { + // If ClipboardJS hasn't loaded, wait a bit and try again. This + // happens because we load ClipboardJS asynchronously. + if (window.ClipboardJS === undefined) { + setTimeout(addCopyButtonToCodeCells, 250) + return + } + + // Add copybuttons to all of our code cells + const COPYBUTTON_SELECTOR = 'div.highlight pre'; + const codeCells = document.querySelectorAll(COPYBUTTON_SELECTOR) + codeCells.forEach((codeCell, index) => { + const id = codeCellId(index) + codeCell.setAttribute('id', id) + + const clipboardButton = id => + `` + codeCell.insertAdjacentHTML('afterend', clipboardButton(id)) + }) + +function escapeRegExp(string) { + return string.replace(/[.*+?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string +} + +/** + * Removes excluded text from a Node. + * + * @param {Node} target Node to filter. + * @param {string} exclude CSS selector of nodes to exclude. + * @returns {DOMString} Text from `target` with text removed. + */ +function filterText(target, exclude) { + const clone = target.cloneNode(true); // clone as to not modify the live DOM + if (exclude) { + // remove excluded nodes + clone.querySelectorAll(exclude).forEach(node => node.remove()); + } + return clone.innerText; +} + +// Callback when a copy button is clicked. Will be passed the node that was clicked +// should then grab the text and replace pieces of text that shouldn't be used in output +function formatCopyText(textContent, copybuttonPromptText, isRegexp = false, onlyCopyPromptLines = true, removePrompts = true, copyEmptyLines = true, lineContinuationChar = "", hereDocDelim = "") { + var regexp; + var match; + + // Do we check for line continuation characters and "HERE-documents"? + var useLineCont = !!lineContinuationChar + var useHereDoc = !!hereDocDelim + + // create regexp to capture prompt and remaining line + if (isRegexp) { + regexp = new RegExp('^(' + copybuttonPromptText + ')(.*)') + } else { + regexp = new RegExp('^(' + escapeRegExp(copybuttonPromptText) + ')(.*)') + } + + const outputLines = []; + var promptFound = false; + var gotLineCont = false; + var gotHereDoc = false; + const lineGotPrompt = []; + for (const line of textContent.split('\n')) { + match = line.match(regexp) + if (match || gotLineCont || gotHereDoc) { + promptFound = regexp.test(line) + lineGotPrompt.push(promptFound) + if (removePrompts && promptFound) { + outputLines.push(match[2]) + } else { + outputLines.push(line) + } + gotLineCont = line.endsWith(lineContinuationChar) & useLineCont + if (line.includes(hereDocDelim) & useHereDoc) + gotHereDoc = !gotHereDoc + } else if (!onlyCopyPromptLines) { + outputLines.push(line) + } else if (copyEmptyLines && line.trim() === '') { + outputLines.push(line) + } + } + + // If no lines with the prompt were found then just use original lines + if (lineGotPrompt.some(v => v === true)) { + textContent = outputLines.join('\n'); + } + + // Remove a trailing newline to avoid auto-running when pasting + if (textContent.endsWith("\n")) { + textContent = textContent.slice(0, -1) + } + return textContent +} + + +var copyTargetText = (trigger) => { + var target = document.querySelector(trigger.attributes['data-clipboard-target'].value); + + // get filtered text + let exclude = '.linenos'; + + let text = filterText(target, exclude); + return formatCopyText(text, '', false, true, true, true, '', '') +} + + // Initialize with a callback so we can modify the text before copy + const clipboard = new ClipboardJS('.copybtn', {text: copyTargetText}) + + // Update UI with error/success messages + clipboard.on('success', event => { + clearSelection() + temporarilyChangeTooltip(event.trigger, messages[locale]['copy'], messages[locale]['copy_success']) + temporarilyChangeIcon(event.trigger) + }) + + clipboard.on('error', event => { + temporarilyChangeTooltip(event.trigger, messages[locale]['copy'], messages[locale]['copy_failure']) + }) +} + +runWhenDOMLoaded(addCopyButtonToCodeCells) \ No newline at end of file diff --git a/_static/copybutton_funcs.js b/_static/copybutton_funcs.js new file mode 100644 index 000000000..dbe1aaad7 --- /dev/null +++ b/_static/copybutton_funcs.js @@ -0,0 +1,73 @@ +function escapeRegExp(string) { + return string.replace(/[.*+?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string +} + +/** + * Removes excluded text from a Node. + * + * @param {Node} target Node to filter. + * @param {string} exclude CSS selector of nodes to exclude. + * @returns {DOMString} Text from `target` with text removed. + */ +export function filterText(target, exclude) { + const clone = target.cloneNode(true); // clone as to not modify the live DOM + if (exclude) { + // remove excluded nodes + clone.querySelectorAll(exclude).forEach(node => node.remove()); + } + return clone.innerText; +} + +// Callback when a copy button is clicked. Will be passed the node that was clicked +// should then grab the text and replace pieces of text that shouldn't be used in output +export function formatCopyText(textContent, copybuttonPromptText, isRegexp = false, onlyCopyPromptLines = true, removePrompts = true, copyEmptyLines = true, lineContinuationChar = "", hereDocDelim = "") { + var regexp; + var match; + + // Do we check for line continuation characters and "HERE-documents"? + var useLineCont = !!lineContinuationChar + var useHereDoc = !!hereDocDelim + + // create regexp to capture prompt and remaining line + if (isRegexp) { + regexp = new RegExp('^(' + copybuttonPromptText + ')(.*)') + } else { + regexp = new RegExp('^(' + escapeRegExp(copybuttonPromptText) + ')(.*)') + } + + const outputLines = []; + var promptFound = false; + var gotLineCont = false; + var gotHereDoc = false; + const lineGotPrompt = []; + for (const line of textContent.split('\n')) { + match = line.match(regexp) + if (match || gotLineCont || gotHereDoc) { + promptFound = regexp.test(line) + lineGotPrompt.push(promptFound) + if (removePrompts && promptFound) { + outputLines.push(match[2]) + } else { + outputLines.push(line) + } + gotLineCont = line.endsWith(lineContinuationChar) & useLineCont + if (line.includes(hereDocDelim) & useHereDoc) + gotHereDoc = !gotHereDoc + } else if (!onlyCopyPromptLines) { + outputLines.push(line) + } else if (copyEmptyLines && line.trim() === '') { + outputLines.push(line) + } + } + + // If no lines with the prompt were found then just use original lines + if (lineGotPrompt.some(v => v === true)) { + textContent = outputLines.join('\n'); + } + + // Remove a trailing newline to avoid auto-running when pasting + if (textContent.endsWith("\n")) { + textContent = textContent.slice(0, -1) + } + return textContent +} diff --git a/_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css b/_static/design-style.1e8bd061cd6da7fc9cf755528e8ffc24.min.css new file mode 100644 index 000000000..eb19f698a --- /dev/null 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rgba(178, 206, 245, 0.62);--sd-color-tabs-underline-inactive: transparent;--sd-color-tabs-overline: rgb(222, 222, 222);--sd-color-tabs-underline: rgb(222, 222, 222);--sd-fontsize-tabs-label: 1rem} diff --git a/_static/design-tabs.js b/_static/design-tabs.js new file mode 100644 index 000000000..36b38cf0d --- /dev/null +++ b/_static/design-tabs.js @@ -0,0 +1,27 @@ +var sd_labels_by_text = {}; + +function ready() { + const li = document.getElementsByClassName("sd-tab-label"); + for (const label of li) { + syncId = label.getAttribute("data-sync-id"); + if (syncId) { + label.onclick = onLabelClick; + if (!sd_labels_by_text[syncId]) { + sd_labels_by_text[syncId] = []; + } + sd_labels_by_text[syncId].push(label); + } + } +} + +function onLabelClick() { + // Activate other inputs with the same sync id. + syncId = this.getAttribute("data-sync-id"); + for (label of sd_labels_by_text[syncId]) { + if (label === this) continue; + label.previousElementSibling.checked = true; + } + window.localStorage.setItem("sphinx-design-last-tab", syncId); +} + +document.addEventListener("DOMContentLoaded", ready, false); diff --git a/_static/doctools.js b/_static/doctools.js new file mode 100644 index 000000000..d06a71d75 --- /dev/null +++ b/_static/doctools.js @@ -0,0 +1,156 @@ +/* + * doctools.js + * ~~~~~~~~~~~ + * + * Base JavaScript utilities for all Sphinx HTML documentation. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ +"use strict"; + +const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ + "TEXTAREA", + "INPUT", + "SELECT", + "BUTTON", +]); + +const _ready = (callback) => { + if (document.readyState !== "loading") { + callback(); + } else { + document.addEventListener("DOMContentLoaded", callback); + } +}; + +/** + * Small JavaScript module for the documentation. + */ +const Documentation = { + init: () => { + Documentation.initDomainIndexTable(); + Documentation.initOnKeyListeners(); + }, + + /** + * i18n support + */ + TRANSLATIONS: {}, + PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), + LOCALE: "unknown", + + // gettext and ngettext don't access this so that the functions + // can safely bound to a different name (_ = Documentation.gettext) + gettext: (string) => { + const translated = Documentation.TRANSLATIONS[string]; + switch (typeof translated) { + case "undefined": + return string; // no translation + case "string": + return translated; // translation exists + default: + return translated[0]; // (singular, plural) translation tuple exists + } + }, + + ngettext: (singular, plural, n) => { + const translated = Documentation.TRANSLATIONS[singular]; + if (typeof translated !== "undefined") + return translated[Documentation.PLURAL_EXPR(n)]; + return n === 1 ? singular : plural; + }, + + addTranslations: (catalog) => { + Object.assign(Documentation.TRANSLATIONS, catalog.messages); + Documentation.PLURAL_EXPR = new Function( + "n", + `return (${catalog.plural_expr})` + ); + Documentation.LOCALE = catalog.locale; + }, + + /** + * helper function to focus on search bar + */ + focusSearchBar: () => { + document.querySelectorAll("input[name=q]")[0]?.focus(); + }, + + /** + * Initialise the domain index toggle buttons + */ + initDomainIndexTable: () => { + const toggler = (el) => { + const idNumber = el.id.substr(7); + const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); + if (el.src.substr(-9) === "minus.png") { + el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; + toggledRows.forEach((el) => (el.style.display = "none")); + } else { + el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; + toggledRows.forEach((el) => (el.style.display = "")); + } + }; + + const togglerElements = document.querySelectorAll("img.toggler"); + togglerElements.forEach((el) => + el.addEventListener("click", (event) => toggler(event.currentTarget)) + ); + togglerElements.forEach((el) => (el.style.display = "")); + if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); + }, + + initOnKeyListeners: () => { + // only install a listener if it is really needed + if ( + !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS && + !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + ) + return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.altKey || event.ctrlKey || event.metaKey) return; + + if (!event.shiftKey) { + switch (event.key) { + case "ArrowLeft": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const prevLink = document.querySelector('link[rel="prev"]'); + if (prevLink && prevLink.href) { + window.location.href = prevLink.href; + event.preventDefault(); + } + break; + case "ArrowRight": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const nextLink = document.querySelector('link[rel="next"]'); + if (nextLink && nextLink.href) { + window.location.href = nextLink.href; + event.preventDefault(); + } + break; + } + } + + // some keyboard layouts may need Shift to get / + switch (event.key) { + case "/": + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break; + Documentation.focusSearchBar(); + event.preventDefault(); + } + }); + }, +}; + +// quick alias for translations +const _ = Documentation.gettext; + +_ready(Documentation.init); diff --git a/_static/documentation_options.js b/_static/documentation_options.js new file mode 100644 index 000000000..dab586c0d --- /dev/null +++ b/_static/documentation_options.js @@ -0,0 +1,13 @@ +const DOCUMENTATION_OPTIONS = { + VERSION: '', + LANGUAGE: 'en', + COLLAPSE_INDEX: false, + BUILDER: 'html', + FILE_SUFFIX: '.html', + LINK_SUFFIX: '.html', + HAS_SOURCE: true, + SOURCELINK_SUFFIX: '', + NAVIGATION_WITH_KEYS: false, + SHOW_SEARCH_SUMMARY: true, + ENABLE_SEARCH_SHORTCUTS: true, +}; \ No newline at end of file diff --git a/_static/file.png b/_static/file.png new file mode 100644 index 000000000..a858a410e Binary files /dev/null and b/_static/file.png differ diff --git a/_static/images/logo_binder.svg b/_static/images/logo_binder.svg new file mode 100644 index 000000000..45fecf751 --- /dev/null +++ b/_static/images/logo_binder.svg @@ -0,0 +1,19 @@ + + + + +logo + + + + + + + + diff --git a/_static/images/logo_colab.png b/_static/images/logo_colab.png new file mode 100644 index 000000000..b7560ec21 Binary files /dev/null and b/_static/images/logo_colab.png differ diff --git a/_static/images/logo_deepnote.svg b/_static/images/logo_deepnote.svg new file mode 100644 index 000000000..fa77ebfc2 --- /dev/null +++ b/_static/images/logo_deepnote.svg @@ -0,0 +1 @@ + diff --git a/_static/images/logo_jupyterhub.svg b/_static/images/logo_jupyterhub.svg new file mode 100644 index 000000000..60cfe9f22 --- /dev/null +++ b/_static/images/logo_jupyterhub.svg @@ -0,0 +1 @@ +logo_jupyterhubHub diff --git a/_static/language_data.js b/_static/language_data.js new file mode 100644 index 000000000..250f5665f --- /dev/null +++ b/_static/language_data.js @@ -0,0 +1,199 @@ +/* + * language_data.js + * ~~~~~~~~~~~~~~~~ + * + * This script contains the language-specific data used by searchtools.js, + * namely the list of stopwords, stemmer, scorer and splitter. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ + +var stopwords = ["a", "and", "are", "as", "at", "be", "but", "by", "for", "if", "in", "into", "is", "it", "near", "no", "not", "of", "on", "or", "such", "that", "the", "their", "then", "there", "these", "they", "this", "to", "was", "will", "with"]; + + +/* Non-minified version is copied as a separate JS file, is available */ + +/** + * Porter Stemmer + */ +var Stemmer = function() { + + var step2list = { + ational: 'ate', + tional: 'tion', + enci: 'ence', + anci: 'ance', + izer: 'ize', + bli: 'ble', + alli: 'al', + entli: 'ent', + eli: 'e', + ousli: 'ous', + ization: 'ize', + ation: 'ate', + ator: 'ate', + alism: 'al', + iveness: 'ive', + fulness: 'ful', + ousness: 'ous', + aliti: 'al', + iviti: 'ive', + biliti: 'ble', + logi: 'log' + }; + + var step3list = { + icate: 'ic', + ative: '', + alize: 'al', + iciti: 'ic', + ical: 'ic', + ful: '', + ness: '' + }; + + var c = "[^aeiou]"; // consonant + var v = "[aeiouy]"; // vowel + var C = c + "[^aeiouy]*"; // consonant sequence + var V = v + "[aeiou]*"; // vowel sequence + + var mgr0 = "^(" + C + ")?" + V + C; // [C]VC... is m>0 + var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$"; // [C]VC[V] is m=1 + var mgr1 = "^(" + C + ")?" + V + C + V + C; // [C]VCVC... is m>1 + var s_v = "^(" + C + ")?" + v; // vowel in stem + + this.stemWord = function (w) { + var stem; + var suffix; + var firstch; + var origword = w; + + if (w.length < 3) + return w; + + var re; + var re2; + var re3; + var re4; + + firstch = w.substr(0,1); + if (firstch == "y") + w = firstch.toUpperCase() + w.substr(1); + + // Step 1a + re = /^(.+?)(ss|i)es$/; + re2 = /^(.+?)([^s])s$/; + + if (re.test(w)) + w = w.replace(re,"$1$2"); + else if (re2.test(w)) + w = w.replace(re2,"$1$2"); + + // Step 1b + re = /^(.+?)eed$/; + re2 = /^(.+?)(ed|ing)$/; + if (re.test(w)) { + var fp = re.exec(w); + re = new RegExp(mgr0); + if (re.test(fp[1])) { + re = /.$/; + w = w.replace(re,""); + } + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1]; + re2 = new RegExp(s_v); + if (re2.test(stem)) { + w = stem; + re2 = /(at|bl|iz)$/; + re3 = new RegExp("([^aeiouylsz])\\1$"); + re4 = new RegExp("^" + C + v + "[^aeiouwxy]$"); + if (re2.test(w)) + w = w + "e"; + else if (re3.test(w)) { + re = /.$/; + w = w.replace(re,""); + } + else if (re4.test(w)) + w = w + "e"; + } + } + + // Step 1c + re = /^(.+?)y$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(s_v); + if (re.test(stem)) + w = stem + "i"; + } + + // Step 2 + re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step2list[suffix]; + } + + // Step 3 + re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step3list[suffix]; + } + + // Step 4 + re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/; + re2 = /^(.+?)(s|t)(ion)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(mgr1); + if (re.test(stem)) + w = stem; + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1] + fp[2]; + re2 = new RegExp(mgr1); + if (re2.test(stem)) + w = stem; + } + + // Step 5 + re = /^(.+?)e$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(mgr1); + re2 = new RegExp(meq1); + re3 = new RegExp("^" + C + v + "[^aeiouwxy]$"); + if (re.test(stem) || (re2.test(stem) && !(re3.test(stem)))) + w = stem; + } + re = /ll$/; + re2 = new RegExp(mgr1); + if (re.test(w) && re2.test(w)) { + re = /.$/; + w = w.replace(re,""); + } + + // and turn initial Y back to y + if (firstch == "y") + w = firstch.toLowerCase() + w.substr(1); + return w; + } +} + diff --git a/_static/locales/ar/LC_MESSAGES/booktheme.mo b/_static/locales/ar/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..15541a6a3 Binary files /dev/null and b/_static/locales/ar/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ar/LC_MESSAGES/booktheme.po b/_static/locales/ar/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..edae2ec41 --- /dev/null +++ b/_static/locales/ar/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ar\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "موضوع بواسطة" + +msgid "Open an issue" +msgstr "افتح قضية" + +msgid "Contents" +msgstr "محتويات" + +msgid "Download notebook file" +msgstr "تنزيل ملف دفتر الملاحظات" + +msgid "Sphinx Book Theme" +msgstr "موضوع كتاب أبو الهول" + +msgid "Fullscreen mode" +msgstr "وضع ملء الشاشة" + +msgid "Edit this page" +msgstr "قم بتحرير هذه الصفحة" + +msgid "By" +msgstr "بواسطة" + +msgid "Copyright" +msgstr "حقوق النشر" + +msgid "Source repository" +msgstr "مستودع المصدر" + +msgid "previous page" +msgstr "الصفحة السابقة" + +msgid "next page" +msgstr "الصفحة التالية" + +msgid "Toggle navigation" +msgstr "تبديل التنقل" + +msgid "repository" +msgstr "مخزن" + +msgid "suggest edit" +msgstr "أقترح تحرير" + +msgid "open issue" +msgstr "قضية مفتوحة" + +msgid "Launch" +msgstr "إطلاق" + +msgid "Print to PDF" +msgstr "طباعة إلى PDF" + +msgid "By the" +msgstr "بواسطة" + +msgid "Last updated on" +msgstr "آخر تحديث في" + +msgid "Download source file" +msgstr "تنزيل ملف المصدر" + +msgid "Download this page" +msgstr "قم بتنزيل هذه الصفحة" diff --git a/_static/locales/bg/LC_MESSAGES/booktheme.mo b/_static/locales/bg/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..da9512003 Binary files /dev/null and b/_static/locales/bg/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/bg/LC_MESSAGES/booktheme.po b/_static/locales/bg/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..1f363b9d1 --- /dev/null +++ b/_static/locales/bg/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: bg\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Тема от" + +msgid "Open an issue" +msgstr "Отворете проблем" + +msgid "Contents" +msgstr "Съдържание" + +msgid "Download notebook file" +msgstr "Изтеглете файла на бележника" + +msgid "Sphinx Book Theme" +msgstr "Тема на книгата Sphinx" + +msgid "Fullscreen mode" +msgstr "Режим на цял екран" + +msgid "Edit this page" +msgstr "Редактирайте тази страница" + +msgid "By" +msgstr "От" + +msgid "Copyright" +msgstr "Авторско право" + +msgid "Source repository" +msgstr "Хранилище на източника" + +msgid "previous page" +msgstr "предишна страница" + +msgid "next page" +msgstr "Следваща страница" + +msgid "Toggle navigation" +msgstr "Превключване на навигацията" + +msgid "repository" +msgstr "хранилище" + +msgid "suggest edit" +msgstr "предложи редактиране" + +msgid "open issue" +msgstr "отворен брой" + +msgid "Launch" +msgstr "Стартиране" + +msgid "Print to PDF" +msgstr "Печат в PDF" + +msgid "By the" +msgstr "По" + +msgid "Last updated on" +msgstr "Последна актуализация на" + +msgid "Download source file" +msgstr "Изтеглете изходния файл" + +msgid "Download this page" +msgstr "Изтеглете тази страница" diff --git a/_static/locales/bn/LC_MESSAGES/booktheme.mo b/_static/locales/bn/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..6b96639b7 Binary files /dev/null and b/_static/locales/bn/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/bn/LC_MESSAGES/booktheme.po b/_static/locales/bn/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..fa5437286 --- /dev/null +++ b/_static/locales/bn/LC_MESSAGES/booktheme.po @@ -0,0 +1,63 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: bn\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "থিম দ্বারা" + +msgid "Open an issue" +msgstr "একটি সমস্যা খুলুন" + +msgid "Download notebook file" +msgstr "নোটবুক ফাইল ডাউনলোড করুন" + +msgid "Sphinx Book Theme" +msgstr "স্পিনিক্স বুক থিম" + +msgid "Edit this page" +msgstr "এই পৃষ্ঠাটি সম্পাদনা করুন" + +msgid "By" +msgstr "দ্বারা" + +msgid "Copyright" +msgstr "কপিরাইট" + +msgid "Source repository" +msgstr "উত্স সংগ্রহস্থল" + +msgid "previous page" +msgstr "আগের পৃষ্ঠা" + +msgid "next page" +msgstr "পরবর্তী পৃষ্ঠা" + +msgid "Toggle navigation" +msgstr "নেভিগেশন টগল করুন" + +msgid "open issue" +msgstr "খোলা সমস্যা" + +msgid "Launch" +msgstr "শুরু করা" + +msgid "Print to PDF" +msgstr "পিডিএফ প্রিন্ট করুন" + +msgid "By the" +msgstr "দ্বারা" + +msgid "Last updated on" +msgstr "সর্বশেষ আপডেট" + +msgid "Download source file" +msgstr "উত্স ফাইল ডাউনলোড করুন" + +msgid "Download this page" +msgstr "এই পৃষ্ঠাটি ডাউনলোড করুন" diff --git a/_static/locales/ca/LC_MESSAGES/booktheme.mo b/_static/locales/ca/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..a4dd30e9b Binary files /dev/null and b/_static/locales/ca/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ca/LC_MESSAGES/booktheme.po b/_static/locales/ca/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..22f1569aa --- /dev/null +++ b/_static/locales/ca/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ca\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema del" + +msgid "Open an issue" +msgstr "Obriu un número" + +msgid "Download notebook file" +msgstr "Descarregar fitxer de quadern" + +msgid "Sphinx Book Theme" +msgstr "Tema del llibre Esfinx" + +msgid "Edit this page" +msgstr "Editeu aquesta pàgina" + +msgid "By" +msgstr "Per" + +msgid "Copyright" +msgstr "Copyright" + +msgid "Source repository" +msgstr "Dipòsit de fonts" + +msgid "previous page" +msgstr "Pàgina anterior" + +msgid "next page" +msgstr "pàgina següent" + +msgid "Toggle navigation" +msgstr "Commuta la navegació" + +msgid "suggest edit" +msgstr "suggerir edició" + +msgid "open issue" +msgstr "número obert" + +msgid "Launch" +msgstr "Llançament" + +msgid "Print to PDF" +msgstr "Imprimeix a PDF" + +msgid "By the" +msgstr "Per la" + +msgid "Last updated on" +msgstr "Darrera actualització el" + +msgid "Download source file" +msgstr "Baixeu el fitxer font" + +msgid "Download this page" +msgstr "Descarregueu aquesta pàgina" diff --git a/_static/locales/cs/LC_MESSAGES/booktheme.mo b/_static/locales/cs/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..c39e01a6a Binary files /dev/null and b/_static/locales/cs/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/cs/LC_MESSAGES/booktheme.po b/_static/locales/cs/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..afecd9e79 --- /dev/null +++ b/_static/locales/cs/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: cs\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Téma od" + +msgid "Open an issue" +msgstr "Otevřete problém" + +msgid "Contents" +msgstr "Obsah" + +msgid "Download notebook file" +msgstr "Stáhnout soubor poznámkového bloku" + +msgid "Sphinx Book Theme" +msgstr "Téma knihy Sfinga" + +msgid "Fullscreen mode" +msgstr "Režim celé obrazovky" + +msgid "Edit this page" +msgstr "Upravit tuto stránku" + +msgid "By" +msgstr "Podle" + +msgid "Copyright" +msgstr "autorská práva" + +msgid "Source repository" +msgstr "Zdrojové úložiště" + +msgid "previous page" +msgstr "předchozí stránka" + +msgid "next page" +msgstr "další strana" + +msgid "Toggle navigation" +msgstr "Přepnout navigaci" + +msgid "repository" +msgstr "úložiště" + +msgid "suggest edit" +msgstr "navrhnout úpravy" + +msgid "open issue" +msgstr "otevřené číslo" + +msgid "Launch" +msgstr "Zahájení" + +msgid "Print to PDF" +msgstr "Tisk do PDF" + +msgid "By the" +msgstr "Podle" + +msgid "Last updated on" +msgstr "Naposledy aktualizováno" + +msgid "Download source file" +msgstr "Stáhněte si zdrojový soubor" + +msgid "Download this page" +msgstr "Stáhněte si tuto stránku" diff --git a/_static/locales/da/LC_MESSAGES/booktheme.mo b/_static/locales/da/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..f43157d70 Binary files /dev/null and b/_static/locales/da/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/da/LC_MESSAGES/booktheme.po b/_static/locales/da/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..649c78a8d --- /dev/null +++ b/_static/locales/da/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: da\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema af" + +msgid "Open an issue" +msgstr "Åbn et problem" + +msgid "Contents" +msgstr "Indhold" + +msgid "Download notebook file" +msgstr "Download notesbog-fil" + +msgid "Sphinx Book Theme" +msgstr "Sphinx bogtema" + +msgid "Fullscreen mode" +msgstr "Fuldskærmstilstand" + +msgid "Edit this page" +msgstr "Rediger denne side" + +msgid "By" +msgstr "Ved" + +msgid "Copyright" +msgstr "ophavsret" + +msgid "Source repository" +msgstr "Kildelager" + +msgid "previous page" +msgstr "forrige side" + +msgid "next page" +msgstr "Næste side" + +msgid "Toggle navigation" +msgstr "Skift navigation" + +msgid "repository" +msgstr "lager" + +msgid "suggest edit" +msgstr "foreslå redigering" + +msgid "open issue" +msgstr "åbent nummer" + +msgid "Launch" +msgstr "Start" + +msgid "Print to PDF" +msgstr "Udskriv til PDF" + +msgid "By the" +msgstr "Ved" + +msgid "Last updated on" +msgstr "Sidst opdateret den" + +msgid "Download source file" +msgstr "Download kildefil" + +msgid "Download this page" +msgstr "Download denne side" diff --git a/_static/locales/de/LC_MESSAGES/booktheme.mo b/_static/locales/de/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..648b565c7 Binary files /dev/null and b/_static/locales/de/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/de/LC_MESSAGES/booktheme.po b/_static/locales/de/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..f51d2eccd --- /dev/null +++ b/_static/locales/de/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: de\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Thema von der" + +msgid "Open an issue" +msgstr "Öffnen Sie ein Problem" + +msgid "Contents" +msgstr "Inhalt" + +msgid "Download notebook file" +msgstr "Notebook-Datei herunterladen" + +msgid "Sphinx Book Theme" +msgstr "Sphinx-Buch-Thema" + +msgid "Fullscreen mode" +msgstr "Vollbildmodus" + +msgid "Edit this page" +msgstr "Bearbeite diese Seite" + +msgid "By" +msgstr "Durch" + +msgid "Copyright" +msgstr "Urheberrechte ©" + +msgid "Source repository" +msgstr "Quell-Repository" + +msgid "previous page" +msgstr "vorherige Seite" + +msgid "next page" +msgstr "Nächste Seite" + +msgid "Toggle navigation" +msgstr "Navigation umschalten" + +msgid "repository" +msgstr "Repository" + +msgid "suggest edit" +msgstr "vorschlagen zu bearbeiten" + +msgid "open issue" +msgstr "offenes Thema" + +msgid "Launch" +msgstr "Starten" + +msgid "Print to PDF" +msgstr "In PDF drucken" + +msgid "By the" +msgstr "Bis zum" + +msgid "Last updated on" +msgstr "Zuletzt aktualisiert am" + +msgid "Download source file" +msgstr "Quelldatei herunterladen" + +msgid "Download this page" +msgstr "Laden Sie diese Seite herunter" diff --git a/_static/locales/el/LC_MESSAGES/booktheme.mo b/_static/locales/el/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..fca6e9355 Binary files /dev/null and b/_static/locales/el/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/el/LC_MESSAGES/booktheme.po b/_static/locales/el/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..8bec7905b --- /dev/null +++ b/_static/locales/el/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: el\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Θέμα από το" + +msgid "Open an issue" +msgstr "Ανοίξτε ένα ζήτημα" + +msgid "Contents" +msgstr "Περιεχόμενα" + +msgid "Download notebook file" +msgstr "Λήψη αρχείου σημειωματάριου" + +msgid "Sphinx Book Theme" +msgstr "Θέμα βιβλίου Sphinx" + +msgid "Fullscreen mode" +msgstr "ΛΕΙΤΟΥΡΓΙΑ ΠΛΗΡΟΥΣ ΟΘΟΝΗΣ" + +msgid "Edit this page" +msgstr "Επεξεργαστείτε αυτήν τη σελίδα" + +msgid "By" +msgstr "Με" + +msgid "Copyright" +msgstr "Πνευματική ιδιοκτησία" + +msgid "Source repository" +msgstr "Αποθήκη πηγής" + +msgid "previous page" +msgstr "προηγούμενη σελίδα" + +msgid "next page" +msgstr "επόμενη σελίδα" + +msgid "Toggle navigation" +msgstr "Εναλλαγή πλοήγησης" + +msgid "repository" +msgstr "αποθήκη" + +msgid "suggest edit" +msgstr "προτείνω επεξεργασία" + +msgid "open issue" +msgstr "ανοιχτό ζήτημα" + +msgid "Launch" +msgstr "Εκτόξευση" + +msgid "Print to PDF" +msgstr "Εκτύπωση σε PDF" + +msgid "By the" +msgstr "Από το" + +msgid "Last updated on" +msgstr "Τελευταία ενημέρωση στις" + +msgid "Download source file" +msgstr "Λήψη αρχείου προέλευσης" + +msgid "Download this page" +msgstr "Λήψη αυτής της σελίδας" diff --git a/_static/locales/eo/LC_MESSAGES/booktheme.mo b/_static/locales/eo/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..d1072bbec Binary files /dev/null and b/_static/locales/eo/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/eo/LC_MESSAGES/booktheme.po b/_static/locales/eo/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..d72a0481e --- /dev/null +++ b/_static/locales/eo/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: eo\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Temo de la" + +msgid "Open an issue" +msgstr "Malfermu numeron" + +msgid "Contents" +msgstr "Enhavo" + +msgid "Download notebook file" +msgstr "Elŝutu kajeran dosieron" + +msgid "Sphinx Book Theme" +msgstr "Sfinksa Libro-Temo" + +msgid "Fullscreen mode" +msgstr "Plenekrana reĝimo" + +msgid "Edit this page" +msgstr "Redaktu ĉi tiun paĝon" + +msgid "By" +msgstr "De" + +msgid "Copyright" +msgstr "Kopirajto" + +msgid "Source repository" +msgstr "Fonto-deponejo" + +msgid "previous page" +msgstr "antaŭa paĝo" + +msgid "next page" +msgstr "sekva paĝo" + +msgid "Toggle navigation" +msgstr "Ŝalti navigadon" + +msgid "repository" +msgstr "deponejo" + +msgid "suggest edit" +msgstr "sugesti redaktadon" + +msgid "open issue" +msgstr "malferma numero" + +msgid "Launch" +msgstr "Lanĉo" + +msgid "Print to PDF" +msgstr "Presi al PDF" + +msgid "By the" +msgstr "Per la" + +msgid "Last updated on" +msgstr "Laste ĝisdatigita la" + +msgid "Download source file" +msgstr "Elŝutu fontodosieron" + +msgid "Download this page" +msgstr "Elŝutu ĉi tiun paĝon" diff --git a/_static/locales/es/LC_MESSAGES/booktheme.mo b/_static/locales/es/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..ba2ee4dc2 Binary files /dev/null and b/_static/locales/es/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/es/LC_MESSAGES/booktheme.po b/_static/locales/es/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..611834b29 --- /dev/null +++ b/_static/locales/es/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: es\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema por el" + +msgid "Open an issue" +msgstr "Abrir un problema" + +msgid "Contents" +msgstr "Contenido" + +msgid "Download notebook file" +msgstr "Descargar archivo de cuaderno" + +msgid "Sphinx Book Theme" +msgstr "Tema del libro de la esfinge" + +msgid "Fullscreen mode" +msgstr "Modo de pantalla completa" + +msgid "Edit this page" +msgstr "Edita esta página" + +msgid "By" +msgstr "Por" + +msgid "Copyright" +msgstr "Derechos de autor" + +msgid "Source repository" +msgstr "Repositorio de origen" + +msgid "previous page" +msgstr "pagina anterior" + +msgid "next page" +msgstr "siguiente página" + +msgid "Toggle navigation" +msgstr "Navegación de palanca" + +msgid "repository" +msgstr "repositorio" + +msgid "suggest edit" +msgstr "sugerir editar" + +msgid "open issue" +msgstr "Tema abierto" + +msgid "Launch" +msgstr "Lanzamiento" + +msgid "Print to PDF" +msgstr "Imprimir en PDF" + +msgid "By the" +msgstr "Por el" + +msgid "Last updated on" +msgstr "Ultima actualización en" + +msgid "Download source file" +msgstr "Descargar archivo fuente" + +msgid "Download this page" +msgstr "Descarga esta pagina" diff --git a/_static/locales/et/LC_MESSAGES/booktheme.mo b/_static/locales/et/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..983b82391 Binary files /dev/null and b/_static/locales/et/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/et/LC_MESSAGES/booktheme.po b/_static/locales/et/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..345088f02 --- /dev/null +++ b/_static/locales/et/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: et\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Teema" + +msgid "Open an issue" +msgstr "Avage probleem" + +msgid "Contents" +msgstr "Sisu" + +msgid "Download notebook file" +msgstr "Laadige sülearvuti fail alla" + +msgid "Sphinx Book Theme" +msgstr "Sfinksiraamatu teema" + +msgid "Fullscreen mode" +msgstr "Täisekraanirežiim" + +msgid "Edit this page" +msgstr "Muutke seda lehte" + +msgid "By" +msgstr "Kõrval" + +msgid "Copyright" +msgstr "Autoriõigus" + +msgid "Source repository" +msgstr "Allikahoidla" + +msgid "previous page" +msgstr "eelmine leht" + +msgid "next page" +msgstr "järgmine leht" + +msgid "Toggle navigation" +msgstr "Lülita navigeerimine sisse" + +msgid "repository" +msgstr "hoidla" + +msgid "suggest edit" +msgstr "soovita muuta" + +msgid "open issue" +msgstr "avatud küsimus" + +msgid "Launch" +msgstr "Käivitage" + +msgid "Print to PDF" +msgstr "Prindi PDF-i" + +msgid "By the" +msgstr "Autor" + +msgid "Last updated on" +msgstr "Viimati uuendatud" + +msgid "Download source file" +msgstr "Laadige alla lähtefail" + +msgid "Download this page" +msgstr "Laadige see leht alla" diff --git a/_static/locales/fi/LC_MESSAGES/booktheme.mo b/_static/locales/fi/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..d8ac05459 Binary files /dev/null and b/_static/locales/fi/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/fi/LC_MESSAGES/booktheme.po b/_static/locales/fi/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..d97a08dc3 --- /dev/null +++ b/_static/locales/fi/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: fi\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Teeman tekijä" + +msgid "Open an issue" +msgstr "Avaa ongelma" + +msgid "Contents" +msgstr "Sisällys" + +msgid "Download notebook file" +msgstr "Lataa muistikirjatiedosto" + +msgid "Sphinx Book Theme" +msgstr "Sphinx-kirjan teema" + +msgid "Fullscreen mode" +msgstr "Koko näytön tila" + +msgid "Edit this page" +msgstr "Muokkaa tätä sivua" + +msgid "By" +msgstr "Tekijä" + +msgid "Copyright" +msgstr "Tekijänoikeus" + +msgid "Source repository" +msgstr "Lähteen arkisto" + +msgid "previous page" +msgstr "Edellinen sivu" + +msgid "next page" +msgstr "seuraava sivu" + +msgid "Toggle navigation" +msgstr "Vaihda navigointia" + +msgid "repository" +msgstr "arkisto" + +msgid "suggest edit" +msgstr "ehdottaa muokkausta" + +msgid "open issue" +msgstr "avoin ongelma" + +msgid "Launch" +msgstr "Tuoda markkinoille" + +msgid "Print to PDF" +msgstr "Tulosta PDF-tiedostoon" + +msgid "By the" +msgstr "Mukaan" + +msgid "Last updated on" +msgstr "Viimeksi päivitetty" + +msgid "Download source file" +msgstr "Lataa lähdetiedosto" + +msgid "Download this page" +msgstr "Lataa tämä sivu" diff --git a/_static/locales/fr/LC_MESSAGES/booktheme.mo b/_static/locales/fr/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..f663d39f0 Binary files /dev/null and b/_static/locales/fr/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/fr/LC_MESSAGES/booktheme.po b/_static/locales/fr/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..88f35173f --- /dev/null +++ b/_static/locales/fr/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: fr\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Thème par le" + +msgid "Open an issue" +msgstr "Ouvrez un problème" + +msgid "Contents" +msgstr "Contenu" + +msgid "Download notebook file" +msgstr "Télécharger le fichier notebook" + +msgid "Sphinx Book Theme" +msgstr "Thème du livre Sphinx" + +msgid "Fullscreen mode" +msgstr "Mode plein écran" + +msgid "Edit this page" +msgstr "Modifier cette page" + +msgid "By" +msgstr "Par" + +msgid "Copyright" +msgstr "droits d'auteur" + +msgid "Source repository" +msgstr "Dépôt source" + +msgid "previous page" +msgstr "page précédente" + +msgid "next page" +msgstr "page suivante" + +msgid "Toggle navigation" +msgstr "Basculer la navigation" + +msgid "repository" +msgstr "dépôt" + +msgid "suggest edit" +msgstr "suggestion de modification" + +msgid "open issue" +msgstr "signaler un problème" + +msgid "Launch" +msgstr "lancement" + +msgid "Print to PDF" +msgstr "Imprimer au format PDF" + +msgid "By the" +msgstr "Par le" + +msgid "Last updated on" +msgstr "Dernière mise à jour le" + +msgid "Download source file" +msgstr "Télécharger le fichier source" + +msgid "Download this page" +msgstr "Téléchargez cette page" diff --git a/_static/locales/hr/LC_MESSAGES/booktheme.mo b/_static/locales/hr/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..eca4a1a28 Binary files /dev/null and b/_static/locales/hr/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/hr/LC_MESSAGES/booktheme.po b/_static/locales/hr/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..fb9440ac3 --- /dev/null +++ b/_static/locales/hr/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: hr\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema autora" + +msgid "Open an issue" +msgstr "Otvorite izdanje" + +msgid "Contents" +msgstr "Sadržaj" + +msgid "Download notebook file" +msgstr "Preuzmi datoteku bilježnice" + +msgid "Sphinx Book Theme" +msgstr "Tema knjige Sphinx" + +msgid "Fullscreen mode" +msgstr "Način preko cijelog zaslona" + +msgid "Edit this page" +msgstr "Uredite ovu stranicu" + +msgid "By" +msgstr "Po" + +msgid "Copyright" +msgstr "Autorska prava" + +msgid "Source repository" +msgstr "Izvorno spremište" + +msgid "previous page" +msgstr "Prethodna stranica" + +msgid "next page" +msgstr "sljedeća stranica" + +msgid "Toggle navigation" +msgstr "Uključi / isključi navigaciju" + +msgid "repository" +msgstr "spremište" + +msgid "suggest edit" +msgstr "predloži uređivanje" + +msgid "open issue" +msgstr "otvoreno izdanje" + +msgid "Launch" +msgstr "Pokrenite" + +msgid "Print to PDF" +msgstr "Ispis u PDF" + +msgid "By the" +msgstr "Od strane" + +msgid "Last updated on" +msgstr "Posljednje ažuriranje:" + +msgid "Download source file" +msgstr "Preuzmi izvornu datoteku" + +msgid "Download this page" +msgstr "Preuzmite ovu stranicu" diff --git a/_static/locales/id/LC_MESSAGES/booktheme.mo b/_static/locales/id/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..d07a06a9d Binary files /dev/null and b/_static/locales/id/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/id/LC_MESSAGES/booktheme.po b/_static/locales/id/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..9ffb56f78 --- /dev/null +++ b/_static/locales/id/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: id\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema oleh" + +msgid "Open an issue" +msgstr "Buka masalah" + +msgid "Contents" +msgstr "Isi" + +msgid "Download notebook file" +msgstr "Unduh file notebook" + +msgid "Sphinx Book Theme" +msgstr "Tema Buku Sphinx" + +msgid "Fullscreen mode" +msgstr "Mode layar penuh" + +msgid "Edit this page" +msgstr "Edit halaman ini" + +msgid "By" +msgstr "Oleh" + +msgid "Copyright" +msgstr "hak cipta" + +msgid "Source repository" +msgstr "Repositori sumber" + +msgid "previous page" +msgstr "halaman sebelumnya" + +msgid "next page" +msgstr "halaman selanjutnya" + +msgid "Toggle navigation" +msgstr "Alihkan navigasi" + +msgid "repository" +msgstr "gudang" + +msgid "suggest edit" +msgstr "menyarankan edit" + +msgid "open issue" +msgstr "masalah terbuka" + +msgid "Launch" +msgstr "Meluncurkan" + +msgid "Print to PDF" +msgstr "Cetak ke PDF" + +msgid "By the" +msgstr "Oleh" + +msgid "Last updated on" +msgstr "Terakhir diperbarui saat" + +msgid "Download source file" +msgstr "Unduh file sumber" + +msgid "Download this page" +msgstr "Unduh halaman ini" diff --git a/_static/locales/it/LC_MESSAGES/booktheme.mo b/_static/locales/it/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..53ba476ed Binary files /dev/null and b/_static/locales/it/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/it/LC_MESSAGES/booktheme.po b/_static/locales/it/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..04308dd21 --- /dev/null +++ b/_static/locales/it/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: it\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema di" + +msgid "Open an issue" +msgstr "Apri un problema" + +msgid "Contents" +msgstr "Contenuti" + +msgid "Download notebook file" +msgstr "Scarica il file del taccuino" + +msgid "Sphinx Book Theme" +msgstr "Tema del libro della Sfinge" + +msgid "Fullscreen mode" +msgstr "Modalità schermo intero" + +msgid "Edit this page" +msgstr "Modifica questa pagina" + +msgid "By" +msgstr "Di" + +msgid "Copyright" +msgstr "Diritto d'autore" + +msgid "Source repository" +msgstr "Repository di origine" + +msgid "previous page" +msgstr "pagina precedente" + +msgid "next page" +msgstr "pagina successiva" + +msgid "Toggle navigation" +msgstr "Attiva / disattiva la navigazione" + +msgid "repository" +msgstr "repository" + +msgid "suggest edit" +msgstr "suggerisci modifica" + +msgid "open issue" +msgstr "questione aperta" + +msgid "Launch" +msgstr "Lanciare" + +msgid "Print to PDF" +msgstr "Stampa in PDF" + +msgid "By the" +msgstr "Dal" + +msgid "Last updated on" +msgstr "Ultimo aggiornamento il" + +msgid "Download source file" +msgstr "Scarica il file sorgente" + +msgid "Download this page" +msgstr "Scarica questa pagina" diff --git a/_static/locales/iw/LC_MESSAGES/booktheme.mo b/_static/locales/iw/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..a45c6575e Binary files /dev/null and b/_static/locales/iw/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/iw/LC_MESSAGES/booktheme.po b/_static/locales/iw/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..4ea190d3b --- /dev/null +++ b/_static/locales/iw/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: iw\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "נושא מאת" + +msgid "Open an issue" +msgstr "פתח גיליון" + +msgid "Contents" +msgstr "תוכן" + +msgid "Download notebook file" +msgstr "הורד קובץ מחברת" + +msgid "Sphinx Book Theme" +msgstr "נושא ספר ספינקס" + +msgid "Fullscreen mode" +msgstr "מצב מסך מלא" + +msgid "Edit this page" +msgstr "ערוך דף זה" + +msgid "By" +msgstr "על ידי" + +msgid "Copyright" +msgstr "זכויות יוצרים" + +msgid "Source repository" +msgstr "מאגר המקורות" + +msgid "previous page" +msgstr "עמוד קודם" + +msgid "next page" +msgstr "עמוד הבא" + +msgid "Toggle navigation" +msgstr "החלף ניווט" + +msgid "repository" +msgstr "מאגר" + +msgid "suggest edit" +msgstr "מציע לערוך" + +msgid "open issue" +msgstr "בעיה פתוחה" + +msgid "Launch" +msgstr "לְהַשִׁיק" + +msgid "Print to PDF" +msgstr "הדפס לקובץ PDF" + +msgid "By the" +msgstr "דרך" + +msgid "Last updated on" +msgstr "עודכן לאחרונה ב" + +msgid "Download source file" +msgstr "הורד את קובץ המקור" + +msgid "Download this page" +msgstr "הורד דף זה" diff --git a/_static/locales/ja/LC_MESSAGES/booktheme.mo b/_static/locales/ja/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..1cefd29ce Binary files /dev/null and b/_static/locales/ja/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ja/LC_MESSAGES/booktheme.po b/_static/locales/ja/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..77d5a0971 --- /dev/null +++ b/_static/locales/ja/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ja\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "のテーマ" + +msgid "Open an issue" +msgstr "問題を報告" + +msgid "Contents" +msgstr "目次" + +msgid "Download notebook file" +msgstr "ノートブックファイルをダウンロード" + +msgid "Sphinx Book Theme" +msgstr "スフィンクスの本のテーマ" + +msgid "Fullscreen mode" +msgstr "全画面モード" + +msgid "Edit this page" +msgstr "このページを編集" + +msgid "By" +msgstr "著者" + +msgid "Copyright" +msgstr "Copyright" + +msgid "Source repository" +msgstr "ソースリポジトリ" + +msgid "previous page" +msgstr "前のページ" + +msgid "next page" +msgstr "次のページ" + +msgid "Toggle navigation" +msgstr "ナビゲーションを切り替え" + +msgid "repository" +msgstr "リポジトリ" + +msgid "suggest edit" +msgstr "編集を提案する" + +msgid "open issue" +msgstr "未解決の問題" + +msgid "Launch" +msgstr "起動" + +msgid "Print to PDF" +msgstr "PDFに印刷" + +msgid "By the" +msgstr "によって" + +msgid "Last updated on" +msgstr "最終更新日" + +msgid "Download source file" +msgstr "ソースファイルをダウンロード" + +msgid "Download this page" +msgstr "このページをダウンロード" diff --git a/_static/locales/ko/LC_MESSAGES/booktheme.mo b/_static/locales/ko/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..06c7ec938 Binary files /dev/null and b/_static/locales/ko/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ko/LC_MESSAGES/booktheme.po b/_static/locales/ko/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..6ee3d7813 --- /dev/null +++ b/_static/locales/ko/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ko\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "테마별" + +msgid "Open an issue" +msgstr "이슈 열기" + +msgid "Contents" +msgstr "내용" + +msgid "Download notebook file" +msgstr "노트북 파일 다운로드" + +msgid "Sphinx Book Theme" +msgstr "스핑크스 도서 테마" + +msgid "Fullscreen mode" +msgstr "전체 화면으로보기" + +msgid "Edit this page" +msgstr "이 페이지 편집" + +msgid "By" +msgstr "으로" + +msgid "Copyright" +msgstr "저작권" + +msgid "Source repository" +msgstr "소스 저장소" + +msgid "previous page" +msgstr "이전 페이지" + +msgid "next page" +msgstr "다음 페이지" + +msgid "Toggle navigation" +msgstr "탐색 전환" + +msgid "repository" +msgstr "저장소" + +msgid "suggest edit" +msgstr "편집 제안" + +msgid "open issue" +msgstr "열린 문제" + +msgid "Launch" +msgstr "시작하다" + +msgid "Print to PDF" +msgstr "PDF로 인쇄" + +msgid "By the" +msgstr "에 의해" + +msgid "Last updated on" +msgstr "마지막 업데이트" + +msgid "Download source file" +msgstr "소스 파일 다운로드" + +msgid "Download this page" +msgstr "이 페이지 다운로드" diff --git a/_static/locales/lt/LC_MESSAGES/booktheme.mo b/_static/locales/lt/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..4468ba04b Binary files /dev/null and b/_static/locales/lt/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/lt/LC_MESSAGES/booktheme.po b/_static/locales/lt/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..01be26798 --- /dev/null +++ b/_static/locales/lt/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: lt\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema" + +msgid "Open an issue" +msgstr "Atidarykite problemą" + +msgid "Contents" +msgstr "Turinys" + +msgid "Download notebook file" +msgstr "Atsisiųsti nešiojamojo kompiuterio failą" + +msgid "Sphinx Book Theme" +msgstr "Sfinkso knygos tema" + +msgid "Fullscreen mode" +msgstr "Pilno ekrano režimas" + +msgid "Edit this page" +msgstr "Redaguoti šį puslapį" + +msgid "By" +msgstr "Iki" + +msgid "Copyright" +msgstr "Autorių teisės" + +msgid "Source repository" +msgstr "Šaltinio saugykla" + +msgid "previous page" +msgstr "Ankstesnis puslapis" + +msgid "next page" +msgstr "Kitas puslapis" + +msgid "Toggle navigation" +msgstr "Perjungti naršymą" + +msgid "repository" +msgstr "saugykla" + +msgid "suggest edit" +msgstr "pasiūlyti redaguoti" + +msgid "open issue" +msgstr "atviras klausimas" + +msgid "Launch" +msgstr "Paleiskite" + +msgid "Print to PDF" +msgstr "Spausdinti į PDF" + +msgid "By the" +msgstr "Prie" + +msgid "Last updated on" +msgstr "Paskutinį kartą atnaujinta" + +msgid "Download source file" +msgstr "Atsisiųsti šaltinio failą" + +msgid "Download this page" +msgstr "Atsisiųskite šį puslapį" diff --git a/_static/locales/lv/LC_MESSAGES/booktheme.mo b/_static/locales/lv/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..74aa4d898 Binary files /dev/null and b/_static/locales/lv/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/lv/LC_MESSAGES/booktheme.po b/_static/locales/lv/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..993a1e412 --- /dev/null +++ b/_static/locales/lv/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: lv\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Autora tēma" + +msgid "Open an issue" +msgstr "Atveriet problēmu" + +msgid "Contents" +msgstr "Saturs" + +msgid "Download notebook file" +msgstr "Lejupielādēt piezīmju grāmatiņu" + +msgid "Sphinx Book Theme" +msgstr "Sfinksa grāmatas tēma" + +msgid "Fullscreen mode" +msgstr "Pilnekrāna režīms" + +msgid "Edit this page" +msgstr "Rediģēt šo lapu" + +msgid "By" +msgstr "Autors" + +msgid "Copyright" +msgstr "Autortiesības" + +msgid "Source repository" +msgstr "Avota krātuve" + +msgid "previous page" +msgstr "iepriekšējā lapa" + +msgid "next page" +msgstr "nākamā lapaspuse" + +msgid "Toggle navigation" +msgstr "Pārslēgt navigāciju" + +msgid "repository" +msgstr "krātuve" + +msgid "suggest edit" +msgstr "ieteikt rediģēt" + +msgid "open issue" +msgstr "atklāts jautājums" + +msgid "Launch" +msgstr "Uzsākt" + +msgid "Print to PDF" +msgstr "Drukāt PDF formātā" + +msgid "By the" +msgstr "Ar" + +msgid "Last updated on" +msgstr "Pēdējoreiz atjaunināts" + +msgid "Download source file" +msgstr "Lejupielādēt avota failu" + +msgid "Download this page" +msgstr "Lejupielādējiet šo lapu" diff --git a/_static/locales/ml/LC_MESSAGES/booktheme.mo b/_static/locales/ml/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..2736e8fcf Binary files /dev/null and b/_static/locales/ml/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ml/LC_MESSAGES/booktheme.po b/_static/locales/ml/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..81daf7c8d --- /dev/null +++ b/_static/locales/ml/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ml\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "പ്രമേയം" + +msgid "Open an issue" +msgstr "ഒരു പ്രശ്നം തുറക്കുക" + +msgid "Download notebook file" +msgstr "നോട്ട്ബുക്ക് ഫയൽ ഡൺലോഡ് ചെയ്യുക" + +msgid "Sphinx Book Theme" +msgstr "സ്ഫിങ്ക്സ് പുസ്തക തീം" + +msgid "Edit this page" +msgstr "ഈ പേജ് എഡിറ്റുചെയ്യുക" + +msgid "By" +msgstr "എഴുതിയത്" + +msgid "Copyright" +msgstr "പകർപ്പവകാശം" + +msgid "Source repository" +msgstr "ഉറവിട ശേഖരം" + +msgid "previous page" +msgstr "മുൻപത്തെ താൾ" + +msgid "next page" +msgstr "അടുത്ത പേജ്" + +msgid "Toggle navigation" +msgstr "നാവിഗേഷൻ ടോഗിൾ ചെയ്യുക" + +msgid "suggest edit" +msgstr "എഡിറ്റുചെയ്യാൻ നിർദ്ദേശിക്കുക" + +msgid "open issue" +msgstr "തുറന്ന പ്രശ്നം" + +msgid "Launch" +msgstr "സമാരംഭിക്കുക" + +msgid "Print to PDF" +msgstr "PDF- ലേക്ക് പ്രിന്റുചെയ്യുക" + +msgid "By the" +msgstr "എഴുതിയത്" + +msgid "Last updated on" +msgstr "അവസാനം അപ്‌ഡേറ്റുചെയ്‌തത്" + +msgid "Download source file" +msgstr "ഉറവിട ഫയൽ ഡൗൺലോഡുചെയ്യുക" + +msgid "Download this page" +msgstr "ഈ പേജ് ഡൗൺലോഡുചെയ്യുക" diff --git a/_static/locales/mr/LC_MESSAGES/booktheme.mo b/_static/locales/mr/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..fe530100d Binary files /dev/null and b/_static/locales/mr/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/mr/LC_MESSAGES/booktheme.po b/_static/locales/mr/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..fd857bff9 --- /dev/null +++ b/_static/locales/mr/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: mr\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "द्वारा थीम" + +msgid "Open an issue" +msgstr "एक मुद्दा उघडा" + +msgid "Download notebook file" +msgstr "नोटबुक फाईल डाउनलोड करा" + +msgid "Sphinx Book Theme" +msgstr "स्फिंक्स बुक थीम" + +msgid "Edit this page" +msgstr "हे पृष्ठ संपादित करा" + +msgid "By" +msgstr "द्वारा" + +msgid "Copyright" +msgstr "कॉपीराइट" + +msgid "Source repository" +msgstr "स्त्रोत भांडार" + +msgid "previous page" +msgstr "मागील पान" + +msgid "next page" +msgstr "पुढील पृष्ठ" + +msgid "Toggle navigation" +msgstr "नेव्हिगेशन टॉगल करा" + +msgid "suggest edit" +msgstr "संपादन सुचवा" + +msgid "open issue" +msgstr "खुला मुद्दा" + +msgid "Launch" +msgstr "लाँच करा" + +msgid "Print to PDF" +msgstr "पीडीएफवर मुद्रित करा" + +msgid "By the" +msgstr "द्वारा" + +msgid "Last updated on" +msgstr "अखेरचे अद्यतनित" + +msgid "Download source file" +msgstr "स्त्रोत फाइल डाउनलोड करा" + +msgid "Download this page" +msgstr "हे पृष्ठ डाउनलोड करा" diff --git a/_static/locales/ms/LC_MESSAGES/booktheme.mo b/_static/locales/ms/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..f02603fa2 Binary files /dev/null and b/_static/locales/ms/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ms/LC_MESSAGES/booktheme.po b/_static/locales/ms/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..b616d70fe --- /dev/null +++ b/_static/locales/ms/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ms\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema oleh" + +msgid "Open an issue" +msgstr "Buka masalah" + +msgid "Download notebook file" +msgstr "Muat turun fail buku nota" + +msgid "Sphinx Book Theme" +msgstr "Tema Buku Sphinx" + +msgid "Edit this page" +msgstr "Edit halaman ini" + +msgid "By" +msgstr "Oleh" + +msgid "Copyright" +msgstr "hak cipta" + +msgid "Source repository" +msgstr "Repositori sumber" + +msgid "previous page" +msgstr "halaman sebelumnya" + +msgid "next page" +msgstr "muka surat seterusnya" + +msgid "Toggle navigation" +msgstr "Togol navigasi" + +msgid "suggest edit" +msgstr "cadangkan edit" + +msgid "open issue" +msgstr "isu terbuka" + +msgid "Launch" +msgstr "Lancarkan" + +msgid "Print to PDF" +msgstr "Cetak ke PDF" + +msgid "By the" +msgstr "Oleh" + +msgid "Last updated on" +msgstr "Terakhir dikemas kini pada" + +msgid "Download source file" +msgstr "Muat turun fail sumber" + +msgid "Download this page" +msgstr "Muat turun halaman ini" diff --git a/_static/locales/nl/LC_MESSAGES/booktheme.mo b/_static/locales/nl/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..e59e7ecb3 Binary files /dev/null and b/_static/locales/nl/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/nl/LC_MESSAGES/booktheme.po b/_static/locales/nl/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..f16f4bcc2 --- /dev/null +++ b/_static/locales/nl/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: nl\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Thema door de" + +msgid "Open an issue" +msgstr "Open een probleem" + +msgid "Contents" +msgstr "Inhoud" + +msgid "Download notebook file" +msgstr "Download notebookbestand" + +msgid "Sphinx Book Theme" +msgstr "Sphinx-boekthema" + +msgid "Fullscreen mode" +msgstr "Volledig scherm" + +msgid "Edit this page" +msgstr "bewerk deze pagina" + +msgid "By" +msgstr "Door" + +msgid "Copyright" +msgstr "auteursrechten" + +msgid "Source repository" +msgstr "Bronopslagplaats" + +msgid "previous page" +msgstr "vorige pagina" + +msgid "next page" +msgstr "volgende bladzijde" + +msgid "Toggle navigation" +msgstr "Schakel navigatie" + +msgid "repository" +msgstr "repository" + +msgid "suggest edit" +msgstr "suggereren bewerken" + +msgid "open issue" +msgstr "open probleem" + +msgid "Launch" +msgstr "Lancering" + +msgid "Print to PDF" +msgstr "Afdrukken naar pdf" + +msgid "By the" +msgstr "Door de" + +msgid "Last updated on" +msgstr "Laatst geupdate op" + +msgid "Download source file" +msgstr "Download het bronbestand" + +msgid "Download this page" +msgstr "Download deze pagina" diff --git a/_static/locales/no/LC_MESSAGES/booktheme.mo b/_static/locales/no/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..6cd15c88d Binary files /dev/null and b/_static/locales/no/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/no/LC_MESSAGES/booktheme.po b/_static/locales/no/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..b1d304ee2 --- /dev/null +++ b/_static/locales/no/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: no\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema av" + +msgid "Open an issue" +msgstr "Åpne et problem" + +msgid "Contents" +msgstr "Innhold" + +msgid "Download notebook file" +msgstr "Last ned notatbokfilen" + +msgid "Sphinx Book Theme" +msgstr "Sphinx boktema" + +msgid "Fullscreen mode" +msgstr "Fullskjerm-modus" + +msgid "Edit this page" +msgstr "Rediger denne siden" + +msgid "By" +msgstr "Av" + +msgid "Copyright" +msgstr "opphavsrett" + +msgid "Source repository" +msgstr "Kildedepot" + +msgid "previous page" +msgstr "forrige side" + +msgid "next page" +msgstr "neste side" + +msgid "Toggle navigation" +msgstr "Bytt navigasjon" + +msgid "repository" +msgstr "oppbevaringssted" + +msgid "suggest edit" +msgstr "foreslå redigering" + +msgid "open issue" +msgstr "åpent nummer" + +msgid "Launch" +msgstr "Start" + +msgid "Print to PDF" +msgstr "Skriv ut til PDF" + +msgid "By the" +msgstr "Ved" + +msgid "Last updated on" +msgstr "Sist oppdatert den" + +msgid "Download source file" +msgstr "Last ned kildefilen" + +msgid "Download this page" +msgstr "Last ned denne siden" diff --git a/_static/locales/pl/LC_MESSAGES/booktheme.mo b/_static/locales/pl/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..9ebb584f7 Binary files /dev/null and b/_static/locales/pl/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/pl/LC_MESSAGES/booktheme.po b/_static/locales/pl/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..80d2c8965 --- /dev/null +++ b/_static/locales/pl/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: pl\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Motyw autorstwa" + +msgid "Open an issue" +msgstr "Otwórz problem" + +msgid "Contents" +msgstr "Zawartość" + +msgid "Download notebook file" +msgstr "Pobierz plik notatnika" + +msgid "Sphinx Book Theme" +msgstr "Motyw książki Sphinx" + +msgid "Fullscreen mode" +msgstr "Pełny ekran" + +msgid "Edit this page" +msgstr "Edytuj tę strone" + +msgid "By" +msgstr "Przez" + +msgid "Copyright" +msgstr "prawa autorskie" + +msgid "Source repository" +msgstr "Repozytorium źródłowe" + +msgid "previous page" +msgstr "Poprzednia strona" + +msgid "next page" +msgstr "Następna strona" + +msgid "Toggle navigation" +msgstr "Przełącz nawigację" + +msgid "repository" +msgstr "magazyn" + +msgid "suggest edit" +msgstr "zaproponuj edycję" + +msgid "open issue" +msgstr "otwarty problem" + +msgid "Launch" +msgstr "Uruchomić" + +msgid "Print to PDF" +msgstr "Drukuj do PDF" + +msgid "By the" +msgstr "Przez" + +msgid "Last updated on" +msgstr "Ostatnia aktualizacja" + +msgid "Download source file" +msgstr "Pobierz plik źródłowy" + +msgid "Download this page" +msgstr "Pobierz tę stronę" diff --git a/_static/locales/pt/LC_MESSAGES/booktheme.mo b/_static/locales/pt/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..d0ddb8728 Binary files /dev/null and b/_static/locales/pt/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/pt/LC_MESSAGES/booktheme.po b/_static/locales/pt/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..45ac847f5 --- /dev/null +++ b/_static/locales/pt/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: pt\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema por" + +msgid "Open an issue" +msgstr "Abra um problema" + +msgid "Contents" +msgstr "Conteúdo" + +msgid "Download notebook file" +msgstr "Baixar arquivo de notebook" + +msgid "Sphinx Book Theme" +msgstr "Tema do livro Sphinx" + +msgid "Fullscreen mode" +msgstr "Modo tela cheia" + +msgid "Edit this page" +msgstr "Edite essa página" + +msgid "By" +msgstr "De" + +msgid "Copyright" +msgstr "direito autoral" + +msgid "Source repository" +msgstr "Repositório fonte" + +msgid "previous page" +msgstr "página anterior" + +msgid "next page" +msgstr "próxima página" + +msgid "Toggle navigation" +msgstr "Alternar de navegação" + +msgid "repository" +msgstr "repositório" + +msgid "suggest edit" +msgstr "sugerir edição" + +msgid "open issue" +msgstr "questão aberta" + +msgid "Launch" +msgstr "Lançamento" + +msgid "Print to PDF" +msgstr "Imprimir em PDF" + +msgid "By the" +msgstr "Pelo" + +msgid "Last updated on" +msgstr "Última atualização em" + +msgid "Download source file" +msgstr "Baixar arquivo fonte" + +msgid "Download this page" +msgstr "Baixe esta página" diff --git a/_static/locales/ro/LC_MESSAGES/booktheme.mo b/_static/locales/ro/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..3c36ab1df Binary files /dev/null and b/_static/locales/ro/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ro/LC_MESSAGES/booktheme.po b/_static/locales/ro/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..532b3b849 --- /dev/null +++ b/_static/locales/ro/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ro\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema de" + +msgid "Open an issue" +msgstr "Deschideți o problemă" + +msgid "Contents" +msgstr "Cuprins" + +msgid "Download notebook file" +msgstr "Descărcați fișierul notebook" + +msgid "Sphinx Book Theme" +msgstr "Tema Sphinx Book" + +msgid "Fullscreen mode" +msgstr "Modul ecran întreg" + +msgid "Edit this page" +msgstr "Editați această pagină" + +msgid "By" +msgstr "De" + +msgid "Copyright" +msgstr "Drepturi de autor" + +msgid "Source repository" +msgstr "Depozit sursă" + +msgid "previous page" +msgstr "pagina anterioară" + +msgid "next page" +msgstr "pagina următoare" + +msgid "Toggle navigation" +msgstr "Comutare navigare" + +msgid "repository" +msgstr "repertoriu" + +msgid "suggest edit" +msgstr "sugerează editare" + +msgid "open issue" +msgstr "problema deschisă" + +msgid "Launch" +msgstr "Lansa" + +msgid "Print to PDF" +msgstr "Imprimați în PDF" + +msgid "By the" +msgstr "Langa" + +msgid "Last updated on" +msgstr "Ultima actualizare la" + +msgid "Download source file" +msgstr "Descărcați fișierul sursă" + +msgid "Download this page" +msgstr "Descarcă această pagină" diff --git a/_static/locales/ru/LC_MESSAGES/booktheme.mo b/_static/locales/ru/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..6b8ca41f3 Binary files /dev/null and b/_static/locales/ru/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ru/LC_MESSAGES/booktheme.po b/_static/locales/ru/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..b718b4827 --- /dev/null +++ b/_static/locales/ru/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ru\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Тема от" + +msgid "Open an issue" +msgstr "Открыть вопрос" + +msgid "Contents" +msgstr "Содержание" + +msgid "Download notebook file" +msgstr "Скачать файл записной книжки" + +msgid "Sphinx Book Theme" +msgstr "Тема книги Сфинкс" + +msgid "Fullscreen mode" +msgstr "Полноэкранный режим" + +msgid "Edit this page" +msgstr "Редактировать эту страницу" + +msgid "By" +msgstr "По" + +msgid "Copyright" +msgstr "авторское право" + +msgid "Source repository" +msgstr "Исходный репозиторий" + +msgid "previous page" +msgstr "Предыдущая страница" + +msgid "next page" +msgstr "Следующая страница" + +msgid "Toggle navigation" +msgstr "Переключить навигацию" + +msgid "repository" +msgstr "хранилище" + +msgid "suggest edit" +msgstr "предложить редактировать" + +msgid "open issue" +msgstr "открытый вопрос" + +msgid "Launch" +msgstr "Запуск" + +msgid "Print to PDF" +msgstr "Распечатать в PDF" + +msgid "By the" +msgstr "Посредством" + +msgid "Last updated on" +msgstr "Последнее обновление" + +msgid "Download source file" +msgstr "Скачать исходный файл" + +msgid "Download this page" +msgstr "Загрузите эту страницу" diff --git a/_static/locales/sk/LC_MESSAGES/booktheme.mo b/_static/locales/sk/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..59bd0ddfa Binary files /dev/null and b/_static/locales/sk/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/sk/LC_MESSAGES/booktheme.po b/_static/locales/sk/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..f6c423b63 --- /dev/null +++ b/_static/locales/sk/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: sk\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Téma od" + +msgid "Open an issue" +msgstr "Otvorte problém" + +msgid "Contents" +msgstr "Obsah" + +msgid "Download notebook file" +msgstr "Stiahnite si zošit" + +msgid "Sphinx Book Theme" +msgstr "Téma knihy Sfinga" + +msgid "Fullscreen mode" +msgstr "Režim celej obrazovky" + +msgid "Edit this page" +msgstr "Upraviť túto stránku" + +msgid "By" +msgstr "Autor:" + +msgid "Copyright" +msgstr "Autorské práva" + +msgid "Source repository" +msgstr "Zdrojové úložisko" + +msgid "previous page" +msgstr "predchádzajúca strana" + +msgid "next page" +msgstr "ďalšia strana" + +msgid "Toggle navigation" +msgstr "Prepnúť navigáciu" + +msgid "repository" +msgstr "Úložisko" + +msgid "suggest edit" +msgstr "navrhnúť úpravu" + +msgid "open issue" +msgstr "otvorené vydanie" + +msgid "Launch" +msgstr "Spustiť" + +msgid "Print to PDF" +msgstr "Tlač do PDF" + +msgid "By the" +msgstr "Podľa" + +msgid "Last updated on" +msgstr "Posledná aktualizácia dňa" + +msgid "Download source file" +msgstr "Stiahnite si zdrojový súbor" + +msgid "Download this page" +msgstr "Stiahnite si túto stránku" diff --git a/_static/locales/sl/LC_MESSAGES/booktheme.mo b/_static/locales/sl/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..87bf26de6 Binary files /dev/null and b/_static/locales/sl/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/sl/LC_MESSAGES/booktheme.po b/_static/locales/sl/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..9822dc58d --- /dev/null +++ b/_static/locales/sl/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: sl\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema avtorja" + +msgid "Open an issue" +msgstr "Odprite številko" + +msgid "Contents" +msgstr "Vsebina" + +msgid "Download notebook file" +msgstr "Prenesite datoteko zvezka" + +msgid "Sphinx Book Theme" +msgstr "Tema knjige Sphinx" + +msgid "Fullscreen mode" +msgstr "Celozaslonski način" + +msgid "Edit this page" +msgstr "Uredite to stran" + +msgid "By" +msgstr "Avtor" + +msgid "Copyright" +msgstr "avtorske pravice" + +msgid "Source repository" +msgstr "Izvorno skladišče" + +msgid "previous page" +msgstr "Prejšnja stran" + +msgid "next page" +msgstr "Naslednja stran" + +msgid "Toggle navigation" +msgstr "Preklopi navigacijo" + +msgid "repository" +msgstr "odlagališče" + +msgid "suggest edit" +msgstr "predlagajte urejanje" + +msgid "open issue" +msgstr "odprto vprašanje" + +msgid "Launch" +msgstr "Kosilo" + +msgid "Print to PDF" +msgstr "Natisni v PDF" + +msgid "By the" +msgstr "Avtor" + +msgid "Last updated on" +msgstr "Nazadnje posodobljeno dne" + +msgid "Download source file" +msgstr "Prenesite izvorno datoteko" + +msgid "Download this page" +msgstr "Prenesite to stran" diff --git a/_static/locales/sr/LC_MESSAGES/booktheme.mo b/_static/locales/sr/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..ec740f485 Binary files /dev/null and b/_static/locales/sr/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/sr/LC_MESSAGES/booktheme.po b/_static/locales/sr/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..e809230c5 --- /dev/null +++ b/_static/locales/sr/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: sr\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Тхеме би" + +msgid "Open an issue" +msgstr "Отворите издање" + +msgid "Contents" +msgstr "Садржај" + +msgid "Download notebook file" +msgstr "Преузмите датотеку бележнице" + +msgid "Sphinx Book Theme" +msgstr "Тема књиге Спхинк" + +msgid "Fullscreen mode" +msgstr "Режим целог екрана" + +msgid "Edit this page" +msgstr "Уредите ову страницу" + +msgid "By" +msgstr "Од стране" + +msgid "Copyright" +msgstr "Ауторско право" + +msgid "Source repository" +msgstr "Изворно спремиште" + +msgid "previous page" +msgstr "Претходна страница" + +msgid "next page" +msgstr "Следећа страна" + +msgid "Toggle navigation" +msgstr "Укључи / искључи навигацију" + +msgid "repository" +msgstr "спремиште" + +msgid "suggest edit" +msgstr "предложи уређивање" + +msgid "open issue" +msgstr "отворено издање" + +msgid "Launch" +msgstr "Лансирање" + +msgid "Print to PDF" +msgstr "Испис у ПДФ" + +msgid "By the" +msgstr "Од" + +msgid "Last updated on" +msgstr "Последње ажурирање" + +msgid "Download source file" +msgstr "Преузми изворну датотеку" + +msgid "Download this page" +msgstr "Преузмите ову страницу" diff --git a/_static/locales/sv/LC_MESSAGES/booktheme.mo b/_static/locales/sv/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..b07dc76ff Binary files /dev/null and b/_static/locales/sv/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/sv/LC_MESSAGES/booktheme.po b/_static/locales/sv/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..2421b001d --- /dev/null +++ b/_static/locales/sv/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: sv\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema av" + +msgid "Open an issue" +msgstr "Öppna en problemrapport" + +msgid "Contents" +msgstr "Innehåll" + +msgid "Download notebook file" +msgstr "Ladda ner notebook-fil" + +msgid "Sphinx Book Theme" +msgstr "Sphinx Boktema" + +msgid "Fullscreen mode" +msgstr "Fullskärmsläge" + +msgid "Edit this page" +msgstr "Redigera den här sidan" + +msgid "By" +msgstr "Av" + +msgid "Copyright" +msgstr "Upphovsrätt" + +msgid "Source repository" +msgstr "Källkodsrepositorium" + +msgid "previous page" +msgstr "föregående sida" + +msgid "next page" +msgstr "nästa sida" + +msgid "Toggle navigation" +msgstr "Växla navigering" + +msgid "repository" +msgstr "repositorium" + +msgid "suggest edit" +msgstr "föreslå ändring" + +msgid "open issue" +msgstr "öppna problemrapport" + +msgid "Launch" +msgstr "Öppna" + +msgid "Print to PDF" +msgstr "Skriv ut till PDF" + +msgid "By the" +msgstr "Av den" + +msgid "Last updated on" +msgstr "Senast uppdaterad den" + +msgid "Download source file" +msgstr "Ladda ner källfil" + +msgid "Download this page" +msgstr "Ladda ner den här sidan" diff --git a/_static/locales/ta/LC_MESSAGES/booktheme.mo b/_static/locales/ta/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..29f52e1f6 Binary files /dev/null and b/_static/locales/ta/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ta/LC_MESSAGES/booktheme.po b/_static/locales/ta/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..500042f40 --- /dev/null +++ b/_static/locales/ta/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ta\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "வழங்கிய தீம்" + +msgid "Open an issue" +msgstr "சிக்கலைத் திறக்கவும்" + +msgid "Download notebook file" +msgstr "நோட்புக் கோப்பைப் பதிவிறக்கவும்" + +msgid "Sphinx Book Theme" +msgstr "ஸ்பிங்க்ஸ் புத்தக தீம்" + +msgid "Edit this page" +msgstr "இந்தப் பக்கத்தைத் திருத்தவும்" + +msgid "By" +msgstr "வழங்கியவர்" + +msgid "Copyright" +msgstr "பதிப்புரிமை" + +msgid "Source repository" +msgstr "மூல களஞ்சியம்" + +msgid "previous page" +msgstr "முந்தைய பக்கம்" + +msgid "next page" +msgstr "அடுத்த பக்கம்" + +msgid "Toggle navigation" +msgstr "வழிசெலுத்தலை நிலைமாற்று" + +msgid "suggest edit" +msgstr "திருத்த பரிந்துரைக்கவும்" + +msgid "open issue" +msgstr "திறந்த பிரச்சினை" + +msgid "Launch" +msgstr "தொடங்க" + +msgid "Print to PDF" +msgstr "PDF இல் அச்சிடுக" + +msgid "By the" +msgstr "மூலம்" + +msgid "Last updated on" +msgstr "கடைசியாக புதுப்பிக்கப்பட்டது" + +msgid "Download source file" +msgstr "மூல கோப்பைப் பதிவிறக்குக" + +msgid "Download this page" +msgstr "இந்தப் பக்கத்தைப் பதிவிறக்கவும்" diff --git a/_static/locales/te/LC_MESSAGES/booktheme.mo b/_static/locales/te/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..0a5f4b46a Binary files /dev/null and b/_static/locales/te/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/te/LC_MESSAGES/booktheme.po b/_static/locales/te/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..b1afebba8 --- /dev/null +++ b/_static/locales/te/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: te\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "ద్వారా థీమ్" + +msgid "Open an issue" +msgstr "సమస్యను తెరవండి" + +msgid "Download notebook file" +msgstr "నోట్బుక్ ఫైల్ను డౌన్లోడ్ చేయండి" + +msgid "Sphinx Book Theme" +msgstr "సింహిక పుస్తక థీమ్" + +msgid "Edit this page" +msgstr "ఈ పేజీని సవరించండి" + +msgid "By" +msgstr "ద్వారా" + +msgid "Copyright" +msgstr "కాపీరైట్" + +msgid "Source repository" +msgstr "మూల రిపోజిటరీ" + +msgid "previous page" +msgstr "ముందు పేజి" + +msgid "next page" +msgstr "తరువాతి పేజీ" + +msgid "Toggle navigation" +msgstr "నావిగేషన్‌ను టోగుల్ చేయండి" + +msgid "suggest edit" +msgstr "సవరించమని సూచించండి" + +msgid "open issue" +msgstr "ఓపెన్ ఇష్యూ" + +msgid "Launch" +msgstr "ప్రారంభించండి" + +msgid "Print to PDF" +msgstr "PDF కి ముద్రించండి" + +msgid "By the" +msgstr "ద్వారా" + +msgid "Last updated on" +msgstr "చివరిగా నవీకరించబడింది" + +msgid "Download source file" +msgstr "మూల ఫైల్‌ను డౌన్‌లోడ్ చేయండి" + +msgid "Download this page" +msgstr "ఈ పేజీని డౌన్‌లోడ్ చేయండి" diff --git a/_static/locales/tg/LC_MESSAGES/booktheme.mo b/_static/locales/tg/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..b21c6c634 Binary files /dev/null and b/_static/locales/tg/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/tg/LC_MESSAGES/booktheme.po b/_static/locales/tg/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..29b8237b1 --- /dev/null +++ b/_static/locales/tg/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: tg\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Мавзӯъи аз" + +msgid "Open an issue" +msgstr "Масъаларо кушоед" + +msgid "Contents" +msgstr "Мундариҷа" + +msgid "Download notebook file" +msgstr "Файли дафтарро зеркашӣ кунед" + +msgid "Sphinx Book Theme" +msgstr "Сфинкс Мавзӯи китоб" + +msgid "Fullscreen mode" +msgstr "Ҳолати экрани пурра" + +msgid "Edit this page" +msgstr "Ин саҳифаро таҳрир кунед" + +msgid "By" +msgstr "Бо" + +msgid "Copyright" +msgstr "Ҳуқуқи муаллиф" + +msgid "Source repository" +msgstr "Анбори манбаъ" + +msgid "previous page" +msgstr "саҳифаи қаблӣ" + +msgid "next page" +msgstr "саҳифаи оянда" + +msgid "Toggle navigation" +msgstr "Гузаришро иваз кунед" + +msgid "repository" +msgstr "анбор" + +msgid "suggest edit" +msgstr "пешниҳод вироиш" + +msgid "open issue" +msgstr "барориши кушод" + +msgid "Launch" +msgstr "Оғоз" + +msgid "Print to PDF" +msgstr "Чоп ба PDF" + +msgid "By the" +msgstr "Бо" + +msgid "Last updated on" +msgstr "Last навсозӣ дар" + +msgid "Download source file" +msgstr "Файли манбаъро зеркашӣ кунед" + +msgid "Download this page" +msgstr "Ин саҳифаро зеркашӣ кунед" diff --git a/_static/locales/th/LC_MESSAGES/booktheme.mo b/_static/locales/th/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..abede98aa Binary files /dev/null and b/_static/locales/th/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/th/LC_MESSAGES/booktheme.po b/_static/locales/th/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..ac65ee05c --- /dev/null +++ b/_static/locales/th/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: th\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "ธีมโดย" + +msgid "Open an issue" +msgstr "เปิดปัญหา" + +msgid "Contents" +msgstr "สารบัญ" + +msgid "Download notebook file" +msgstr "ดาวน์โหลดไฟล์สมุดบันทึก" + +msgid "Sphinx Book Theme" +msgstr "ธีมหนังสือสฟิงซ์" + +msgid "Fullscreen mode" +msgstr "โหมดเต็มหน้าจอ" + +msgid "Edit this page" +msgstr "แก้ไขหน้านี้" + +msgid "By" +msgstr "โดย" + +msgid "Copyright" +msgstr "ลิขสิทธิ์" + +msgid "Source repository" +msgstr "ที่เก็บซอร์ส" + +msgid "previous page" +msgstr "หน้าที่แล้ว" + +msgid "next page" +msgstr "หน้าต่อไป" + +msgid "Toggle navigation" +msgstr "ไม่ต้องสลับช่องทาง" + +msgid "repository" +msgstr "ที่เก็บ" + +msgid "suggest edit" +msgstr "แนะนำแก้ไข" + +msgid "open issue" +msgstr "เปิดปัญหา" + +msgid "Launch" +msgstr "เปิด" + +msgid "Print to PDF" +msgstr "พิมพ์เป็น PDF" + +msgid "By the" +msgstr "โดย" + +msgid "Last updated on" +msgstr "ปรับปรุงล่าสุดเมื่อ" + +msgid "Download source file" +msgstr "ดาวน์โหลดไฟล์ต้นฉบับ" + +msgid "Download this page" +msgstr "ดาวน์โหลดหน้านี้" diff --git a/_static/locales/tl/LC_MESSAGES/booktheme.mo b/_static/locales/tl/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..8df1b7331 Binary files /dev/null and b/_static/locales/tl/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/tl/LC_MESSAGES/booktheme.po b/_static/locales/tl/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..662d66ca8 --- /dev/null +++ b/_static/locales/tl/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: tl\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tema ng" + +msgid "Open an issue" +msgstr "Magbukas ng isyu" + +msgid "Download notebook file" +msgstr "Mag-download ng file ng notebook" + +msgid "Sphinx Book Theme" +msgstr "Tema ng Sphinx Book" + +msgid "Edit this page" +msgstr "I-edit ang pahinang ito" + +msgid "By" +msgstr "Ni" + +msgid "Copyright" +msgstr "Copyright" + +msgid "Source repository" +msgstr "Pinagmulan ng imbakan" + +msgid "previous page" +msgstr "Nakaraang pahina" + +msgid "next page" +msgstr "Susunod na pahina" + +msgid "Toggle navigation" +msgstr "I-toggle ang pag-navigate" + +msgid "suggest edit" +msgstr "iminumungkahi i-edit" + +msgid "open issue" +msgstr "bukas na isyu" + +msgid "Launch" +msgstr "Ilunsad" + +msgid "Print to PDF" +msgstr "I-print sa PDF" + +msgid "By the" +msgstr "Sa pamamagitan ng" + +msgid "Last updated on" +msgstr "Huling na-update noong" + +msgid "Download source file" +msgstr "Mag-download ng file ng pinagmulan" + +msgid "Download this page" +msgstr "I-download ang pahinang ito" diff --git a/_static/locales/tr/LC_MESSAGES/booktheme.mo b/_static/locales/tr/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..029ae18af Binary files /dev/null and b/_static/locales/tr/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/tr/LC_MESSAGES/booktheme.po b/_static/locales/tr/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..d1ae72334 --- /dev/null +++ b/_static/locales/tr/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: tr\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Tarafından tema" + +msgid "Open an issue" +msgstr "Bir sorunu açın" + +msgid "Contents" +msgstr "İçindekiler" + +msgid "Download notebook file" +msgstr "Defter dosyasını indirin" + +msgid "Sphinx Book Theme" +msgstr "Sfenks Kitap Teması" + +msgid "Fullscreen mode" +msgstr "Tam ekran modu" + +msgid "Edit this page" +msgstr "Bu sayfayı düzenle" + +msgid "By" +msgstr "Tarafından" + +msgid "Copyright" +msgstr "Telif hakkı" + +msgid "Source repository" +msgstr "Kaynak kod deposu" + +msgid "previous page" +msgstr "önceki sayfa" + +msgid "next page" +msgstr "sonraki Sayfa" + +msgid "Toggle navigation" +msgstr "Gezinmeyi değiştir" + +msgid "repository" +msgstr "depo" + +msgid "suggest edit" +msgstr "düzenleme öner" + +msgid "open issue" +msgstr "Açık konu" + +msgid "Launch" +msgstr "Başlatmak" + +msgid "Print to PDF" +msgstr "PDF olarak yazdır" + +msgid "By the" +msgstr "Tarafından" + +msgid "Last updated on" +msgstr "Son güncelleme tarihi" + +msgid "Download source file" +msgstr "Kaynak dosyayı indirin" + +msgid "Download this page" +msgstr "Bu sayfayı indirin" diff --git a/_static/locales/uk/LC_MESSAGES/booktheme.mo b/_static/locales/uk/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..16ab78909 Binary files /dev/null and b/_static/locales/uk/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/uk/LC_MESSAGES/booktheme.po b/_static/locales/uk/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..be49ab85e --- /dev/null +++ b/_static/locales/uk/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: uk\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Тема від" + +msgid "Open an issue" +msgstr "Відкрийте випуск" + +msgid "Contents" +msgstr "Зміст" + +msgid "Download notebook file" +msgstr "Завантажте файл блокнота" + +msgid "Sphinx Book Theme" +msgstr "Тема книги \"Сфінкс\"" + +msgid "Fullscreen mode" +msgstr "Повноекранний режим" + +msgid "Edit this page" +msgstr "Редагувати цю сторінку" + +msgid "By" +msgstr "Автор" + +msgid "Copyright" +msgstr "Авторське право" + +msgid "Source repository" +msgstr "Джерело сховища" + +msgid "previous page" +msgstr "Попередня сторінка" + +msgid "next page" +msgstr "Наступна сторінка" + +msgid "Toggle navigation" +msgstr "Переключити навігацію" + +msgid "repository" +msgstr "сховище" + +msgid "suggest edit" +msgstr "запропонувати редагувати" + +msgid "open issue" +msgstr "відкритий випуск" + +msgid "Launch" +msgstr "Запуск" + +msgid "Print to PDF" +msgstr "Друк у форматі PDF" + +msgid "By the" +msgstr "По" + +msgid "Last updated on" +msgstr "Останнє оновлення:" + +msgid "Download source file" +msgstr "Завантажити вихідний файл" + +msgid "Download this page" +msgstr "Завантажте цю сторінку" diff --git a/_static/locales/ur/LC_MESSAGES/booktheme.mo b/_static/locales/ur/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..de8c84b93 Binary files /dev/null and b/_static/locales/ur/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/ur/LC_MESSAGES/booktheme.po b/_static/locales/ur/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..94bcab339 --- /dev/null +++ b/_static/locales/ur/LC_MESSAGES/booktheme.po @@ -0,0 +1,66 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: ur\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "کے ذریعہ تھیم" + +msgid "Open an issue" +msgstr "ایک مسئلہ کھولیں" + +msgid "Download notebook file" +msgstr "نوٹ بک فائل ڈاؤن لوڈ کریں" + +msgid "Sphinx Book Theme" +msgstr "سپنکس بک تھیم" + +msgid "Edit this page" +msgstr "اس صفحے میں ترمیم کریں" + +msgid "By" +msgstr "بذریعہ" + +msgid "Copyright" +msgstr "کاپی رائٹ" + +msgid "Source repository" +msgstr "ماخذ ذخیرہ" + +msgid "previous page" +msgstr "سابقہ ​​صفحہ" + +msgid "next page" +msgstr "اگلا صفحہ" + +msgid "Toggle navigation" +msgstr "نیویگیشن ٹوگل کریں" + +msgid "suggest edit" +msgstr "ترمیم کی تجویز کریں" + +msgid "open issue" +msgstr "کھلا مسئلہ" + +msgid "Launch" +msgstr "لانچ کریں" + +msgid "Print to PDF" +msgstr "پی ڈی ایف پرنٹ کریں" + +msgid "By the" +msgstr "کی طرف" + +msgid "Last updated on" +msgstr "آخری بار تازہ کاری ہوئی" + +msgid "Download source file" +msgstr "سورس فائل ڈاؤن لوڈ کریں" + +msgid "Download this page" +msgstr "اس صفحے کو ڈاؤن لوڈ کریں" diff --git a/_static/locales/vi/LC_MESSAGES/booktheme.mo b/_static/locales/vi/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..2bb32555c Binary files /dev/null and b/_static/locales/vi/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/vi/LC_MESSAGES/booktheme.po b/_static/locales/vi/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..116236dc6 --- /dev/null +++ b/_static/locales/vi/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: vi\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "Chủ đề của" + +msgid "Open an issue" +msgstr "Mở một vấn đề" + +msgid "Contents" +msgstr "Nội dung" + +msgid "Download notebook file" +msgstr "Tải xuống tệp sổ tay" + +msgid "Sphinx Book Theme" +msgstr "Chủ đề sách nhân sư" + +msgid "Fullscreen mode" +msgstr "Chế độ toàn màn hình" + +msgid "Edit this page" +msgstr "chỉnh sửa trang này" + +msgid "By" +msgstr "Bởi" + +msgid "Copyright" +msgstr "Bản quyền" + +msgid "Source repository" +msgstr "Kho nguồn" + +msgid "previous page" +msgstr "trang trước" + +msgid "next page" +msgstr "Trang tiếp theo" + +msgid "Toggle navigation" +msgstr "Chuyển đổi điều hướng thành" + +msgid "repository" +msgstr "kho" + +msgid "suggest edit" +msgstr "đề nghị chỉnh sửa" + +msgid "open issue" +msgstr "vấn đề mở" + +msgid "Launch" +msgstr "Phóng" + +msgid "Print to PDF" +msgstr "In sang PDF" + +msgid "By the" +msgstr "Bằng" + +msgid "Last updated on" +msgstr "Cập nhật lần cuối vào" + +msgid "Download source file" +msgstr "Tải xuống tệp nguồn" + +msgid "Download this page" +msgstr "Tải xuống trang này" diff --git a/_static/locales/zh_CN/LC_MESSAGES/booktheme.mo b/_static/locales/zh_CN/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..0e3235d09 Binary files /dev/null and b/_static/locales/zh_CN/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/zh_CN/LC_MESSAGES/booktheme.po b/_static/locales/zh_CN/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..4f4ab579f --- /dev/null +++ b/_static/locales/zh_CN/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: zh_CN\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "主题作者：" + +msgid "Open an issue" +msgstr "创建议题" + +msgid "Contents" +msgstr "目录" + +msgid "Download notebook file" +msgstr "下载笔记本文件" + +msgid "Sphinx Book Theme" +msgstr "Sphinx Book 主题" + +msgid "Fullscreen mode" +msgstr "全屏模式" + +msgid "Edit this page" +msgstr "编辑此页面" + +msgid "By" +msgstr "作者：" + +msgid "Copyright" +msgstr "版权" + +msgid "Source repository" +msgstr "源码库" + +msgid "previous page" +msgstr "上一页" + +msgid "next page" +msgstr "下一页" + +msgid "Toggle navigation" +msgstr "显示或隐藏导航栏" + +msgid "repository" +msgstr "仓库" + +msgid "suggest edit" +msgstr "提出修改建议" + +msgid "open issue" +msgstr "创建议题" + +msgid "Launch" +msgstr "启动" + +msgid "Print to PDF" +msgstr "列印成 PDF" + +msgid "By the" +msgstr "作者：" + +msgid "Last updated on" +msgstr "上次更新时间：" + +msgid "Download source file" +msgstr "下载源文件" + +msgid "Download this page" +msgstr "下载此页面" diff --git a/_static/locales/zh_TW/LC_MESSAGES/booktheme.mo b/_static/locales/zh_TW/LC_MESSAGES/booktheme.mo new file mode 100644 index 000000000..9116fa95d Binary files /dev/null and b/_static/locales/zh_TW/LC_MESSAGES/booktheme.mo differ diff --git a/_static/locales/zh_TW/LC_MESSAGES/booktheme.po b/_static/locales/zh_TW/LC_MESSAGES/booktheme.po new file mode 100644 index 000000000..42b43b86e --- /dev/null +++ b/_static/locales/zh_TW/LC_MESSAGES/booktheme.po @@ -0,0 +1,75 @@ + +msgid "" +msgstr "" +"Project-Id-Version: Sphinx-Book-Theme\n" +"MIME-Version: 1.0\n" +"Content-Type: text/plain; charset=UTF-8\n" +"Content-Transfer-Encoding: 8bit\n" +"Language: zh_TW\n" +"Plural-Forms: nplurals=2; plural=(n != 1);\n" + +msgid "Theme by the" +msgstr "佈景主題作者：" + +msgid "Open an issue" +msgstr "開啟議題" + +msgid "Contents" +msgstr "目錄" + +msgid "Download notebook file" +msgstr "下載 Notebook 檔案" + +msgid "Sphinx Book Theme" +msgstr "Sphinx Book 佈景主題" + +msgid "Fullscreen mode" +msgstr "全螢幕模式" + +msgid "Edit this page" +msgstr "編輯此頁面" + +msgid "By" +msgstr "作者：" + +msgid "Copyright" +msgstr "Copyright" + +msgid "Source repository" +msgstr "來源儲存庫" + +msgid "previous page" +msgstr "上一頁" + +msgid "next page" +msgstr "下一頁" + +msgid "Toggle navigation" +msgstr "顯示或隱藏導覽列" + +msgid "repository" +msgstr "儲存庫" + +msgid "suggest edit" +msgstr "提出修改建議" + +msgid "open issue" +msgstr "公開的問題" + +msgid "Launch" +msgstr "啟動" + +msgid "Print to PDF" +msgstr "列印成 PDF" + +msgid "By the" +msgstr "作者：" + +msgid "Last updated on" +msgstr "最後更新時間：" + +msgid "Download source file" +msgstr "下載原始檔" + +msgid "Download this page" +msgstr "下載此頁面" diff --git a/_static/logo.png b/_static/logo.png new file mode 100644 index 000000000..ffb62c119 Binary files /dev/null and b/_static/logo.png differ diff --git a/_static/minus.png b/_static/minus.png new file mode 100644 index 000000000..d96755fda Binary files /dev/null and b/_static/minus.png differ diff --git a/_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css b/_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css new file mode 100644 index 000000000..335663106 --- /dev/null +++ b/_static/mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css @@ -0,0 +1,2342 @@ +/* Variables */ +:root { + --mystnb-source-bg-color: #f7f7f7; + --mystnb-stdout-bg-color: #fcfcfc; + --mystnb-stderr-bg-color: #fdd; + --mystnb-traceback-bg-color: #fcfcfc; + --mystnb-source-border-color: #ccc; + --mystnb-source-margin-color: green; + --mystnb-stdout-border-color: #f7f7f7; + --mystnb-stderr-border-color: #f7f7f7; + --mystnb-traceback-border-color: #ffd6d6; + --mystnb-hide-prompt-opacity: 70%; + --mystnb-source-border-radius: .4em; + --mystnb-source-border-width: 1px; +} + +/* Whole cell */ +div.container.cell { + padding-left: 0; + margin-bottom: 1em; +} + +/* Removing all background formatting so we can control at the div level */ +.cell_input div.highlight, +.cell_output pre, +.cell_input pre, +.cell_output .output { + border: none; + box-shadow: none; +} + +.cell_output .output pre, +.cell_input pre { + margin: 0px; +} + +/* Input cells */ +div.cell div.cell_input, +div.cell details.above-input>summary { + padding-left: 0em; + padding-right: 0em; + border: var(--mystnb-source-border-width) var(--mystnb-source-border-color) solid; + background-color: var(--mystnb-source-bg-color); + border-left-color: var(--mystnb-source-margin-color); + border-left-width: medium; + border-radius: var(--mystnb-source-border-radius); +} + +div.cell_input>div, +div.cell_output div.output>div.highlight { + margin: 0em !important; + border: none !important; +} + +/* All cell outputs */ +.cell_output { + padding-left: 1em; + padding-right: 0em; + margin-top: 1em; +} + +/* Text outputs from cells */ +.cell_output .output.text_plain, +.cell_output .output.traceback, +.cell_output .output.stream, +.cell_output .output.stderr { + margin-top: 1em; + margin-bottom: 0em; + box-shadow: none; +} + +.cell_output .output.text_plain, +.cell_output .output.stream { + background: var(--mystnb-stdout-bg-color); + border: 1px solid var(--mystnb-stdout-border-color); +} + +.cell_output .output.stderr { + background: var(--mystnb-stderr-bg-color); + border: 1px solid var(--mystnb-stderr-border-color); +} + +.cell_output .output.traceback { + background: var(--mystnb-traceback-bg-color); + border: 1px solid var(--mystnb-traceback-border-color); +} + +/* Collapsible cell content */ +div.cell details.above-input div.cell_input { + border-top-left-radius: 0; + border-top-right-radius: 0; + border-top: var(--mystnb-source-border-width) var(--mystnb-source-border-color) dashed; +} + +div.cell div.cell_input.above-output-prompt { + border-bottom-left-radius: 0; + border-bottom-right-radius: 0; +} + +div.cell details.above-input>summary { + border-bottom-left-radius: 0; + border-bottom-right-radius: 0; + border-bottom: var(--mystnb-source-border-width) var(--mystnb-source-border-color) dashed; + padding-left: 1em; + margin-bottom: 0; +} + +div.cell details.above-output>summary { + background-color: var(--mystnb-source-bg-color); + padding-left: 1em; + padding-right: 0em; + border: var(--mystnb-source-border-width) var(--mystnb-source-border-color) solid; + border-radius: var(--mystnb-source-border-radius); + border-left-color: var(--mystnb-source-margin-color); + border-left-width: medium; +} + +div.cell details.below-input>summary { + background-color: var(--mystnb-source-bg-color); + padding-left: 1em; + padding-right: 0em; + border: var(--mystnb-source-border-width) var(--mystnb-source-border-color) solid; + border-top: none; + border-bottom-left-radius: var(--mystnb-source-border-radius); + border-bottom-right-radius: var(--mystnb-source-border-radius); + border-left-color: var(--mystnb-source-margin-color); + border-left-width: medium; +} + +div.cell details.hide>summary>span { + opacity: var(--mystnb-hide-prompt-opacity); +} + +div.cell details.hide[open]>summary>span.collapsed { + display: none; +} + +div.cell details.hide:not([open])>summary>span.expanded { + display: none; +} + +@keyframes collapsed-fade-in { + 0% { + opacity: 0; + } + + 100% { + opacity: 1; + } +} +div.cell details.hide[open]>summary~* { + -moz-animation: collapsed-fade-in 0.3s ease-in-out; + -webkit-animation: collapsed-fade-in 0.3s ease-in-out; + animation: collapsed-fade-in 0.3s ease-in-out; +} + +/* Math align to the left */ +.cell_output .MathJax_Display { + text-align: left !important; +} + +/* Pandas tables. Pulled from the Jupyter / nbsphinx CSS */ +div.cell_output table { + border: none; + border-collapse: collapse; + border-spacing: 0; + color: black; + font-size: 1em; + table-layout: fixed; +} + +div.cell_output thead { + border-bottom: 1px solid black; + vertical-align: bottom; +} + +div.cell_output tr, +div.cell_output th, +div.cell_output td { + text-align: right; + vertical-align: middle; + padding: 0.5em 0.5em; + line-height: normal; + white-space: normal; + max-width: none; + border: none; +} + +div.cell_output th { + font-weight: bold; +} + +div.cell_output tbody tr:nth-child(odd) { + background: #f5f5f5; +} + +div.cell_output tbody tr:hover { + background: rgba(66, 165, 245, 0.2); +} + +/** source code line numbers **/ +span.linenos { + opacity: 0.5; +} + +/* Inline text from `paste` operation */ + +span.pasted-text { + font-weight: bold; +} + +span.pasted-inline img { + max-height: 2em; +} + +tbody span.pasted-inline img { + max-height: none; +} + +/* Font colors for 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background-color: #E75C58 +} + +div.highlight .-Color[class*=-BGGreen] { + background-color: #00A250 +} + +div.highlight .-Color[class*=-BGYellow] { + background-color: #DDB62B +} + +div.highlight .-Color[class*=-BGBlue] { + background-color: #208FFB +} + +div.highlight .-Color[class*=-BGMagenta] { + background-color: #D160C4 +} + +div.highlight .-Color[class*=-BGCyan] { + background-color: #60C6C8 +} + +div.highlight .-Color[class*=-BGWhite] { + background-color: #C5C1B4 +} + +/* Font colors for 8-bit ANSI */ + +div.highlight .-Color[class*=-C0] { + color: #000000 +} + +div.highlight .-Color[class*=-BGC0] { + background-color: #000000 +} + +div.highlight .-Color[class*=-C1] { + color: #800000 +} + +div.highlight .-Color[class*=-BGC1] { + background-color: #800000 +} + +div.highlight .-Color[class*=-C2] { + color: #008000 +} + +div.highlight .-Color[class*=-BGC2] { + background-color: #008000 +} + +div.highlight .-Color[class*=-C3] { + color: #808000 +} + +div.highlight 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+div.highlight .-Color[class*=-BGC33] { + background-color: #0087FF +} + +div.highlight .-Color[class*=-C34] { + color: #00AF00 +} + +div.highlight .-Color[class*=-BGC34] { + background-color: #00AF00 +} + +div.highlight .-Color[class*=-C35] { + color: #00AF5F +} + +div.highlight .-Color[class*=-BGC35] { + background-color: #00AF5F +} + +div.highlight .-Color[class*=-C36] { + color: #00AF87 +} + +div.highlight .-Color[class*=-BGC36] { + background-color: #00AF87 +} + +div.highlight .-Color[class*=-C37] { + color: #00AFAF +} + +div.highlight .-Color[class*=-BGC37] { + background-color: #00AFAF +} + +div.highlight .-Color[class*=-C38] { + color: #00AFD7 +} + +div.highlight .-Color[class*=-BGC38] { + background-color: #00AFD7 +} + +div.highlight .-Color[class*=-C39] { + color: #00AFFF +} + +div.highlight .-Color[class*=-BGC39] { + background-color: #00AFFF +} + +div.highlight .-Color[class*=-C40] { + color: #00D700 +} + +div.highlight .-Color[class*=-BGC40] { + background-color: #00D700 +} + +div.highlight .-Color[class*=-C41] { + color: #00D75F +} + +div.highlight .-Color[class*=-BGC41] { + background-color: #00D75F +} + +div.highlight .-Color[class*=-C42] { + color: #00D787 +} + +div.highlight .-Color[class*=-BGC42] { + background-color: #00D787 +} + +div.highlight .-Color[class*=-C43] { + color: #00D7AF +} + +div.highlight .-Color[class*=-BGC43] { + background-color: #00D7AF +} + +div.highlight .-Color[class*=-C44] { + color: #00D7D7 +} + +div.highlight .-Color[class*=-BGC44] { + background-color: #00D7D7 +} + +div.highlight .-Color[class*=-C45] { + color: #00D7FF +} + +div.highlight .-Color[class*=-BGC45] { + background-color: #00D7FF +} + +div.highlight .-Color[class*=-C46] { + color: #00FF00 +} + +div.highlight .-Color[class*=-BGC46] { + background-color: #00FF00 +} + +div.highlight .-Color[class*=-C47] { + color: #00FF5F +} + +div.highlight .-Color[class*=-BGC47] { + background-color: #00FF5F +} + +div.highlight .-Color[class*=-C48] { + color: #00FF87 +} + +div.highlight .-Color[class*=-BGC48] { + background-color: #00FF87 +} + +div.highlight .-Color[class*=-C49] { + color: #00FFAF +} + +div.highlight .-Color[class*=-BGC49] { + background-color: #00FFAF +} + +div.highlight .-Color[class*=-C50] { + color: #00FFD7 +} + +div.highlight .-Color[class*=-BGC50] { + background-color: #00FFD7 +} + +div.highlight .-Color[class*=-C51] { + color: #00FFFF +} + +div.highlight .-Color[class*=-BGC51] { + background-color: #00FFFF +} + +div.highlight .-Color[class*=-C52] { + color: #5F0000 +} + +div.highlight .-Color[class*=-BGC52] { + background-color: #5F0000 +} + +div.highlight .-Color[class*=-C53] { + color: #5F005F +} + +div.highlight .-Color[class*=-BGC53] { + background-color: #5F005F +} + +div.highlight .-Color[class*=-C54] { + color: #5F0087 +} + +div.highlight .-Color[class*=-BGC54] { + background-color: #5F0087 +} + +div.highlight .-Color[class*=-C55] { + color: #5F00AF +} + +div.highlight .-Color[class*=-BGC55] { + background-color: #5F00AF +} + +div.highlight .-Color[class*=-C56] { + color: #5F00D7 +} + +div.highlight .-Color[class*=-BGC56] { + background-color: #5F00D7 +} + +div.highlight .-Color[class*=-C57] { + color: #5F00FF +} + +div.highlight .-Color[class*=-BGC57] { + background-color: #5F00FF +} + +div.highlight .-Color[class*=-C58] { + color: #5F5F00 +} + +div.highlight .-Color[class*=-BGC58] { + background-color: #5F5F00 +} + +div.highlight .-Color[class*=-C59] { + color: #5F5F5F +} + +div.highlight .-Color[class*=-BGC59] { + background-color: #5F5F5F +} + +div.highlight .-Color[class*=-C60] { + color: #5F5F87 +} + +div.highlight .-Color[class*=-BGC60] { + background-color: #5F5F87 +} + +div.highlight .-Color[class*=-C61] { + color: #5F5FAF +} + +div.highlight .-Color[class*=-BGC61] { + background-color: #5F5FAF +} + +div.highlight .-Color[class*=-C62] { + color: #5F5FD7 +} + +div.highlight .-Color[class*=-BGC62] { + background-color: #5F5FD7 +} + +div.highlight .-Color[class*=-C63] { + color: #5F5FFF +} + +div.highlight .-Color[class*=-BGC63] { + background-color: #5F5FFF +} + +div.highlight .-Color[class*=-C64] { + color: #5F8700 +} + +div.highlight .-Color[class*=-BGC64] { + background-color: #5F8700 +} + +div.highlight .-Color[class*=-C65] { + color: #5F875F +} + +div.highlight .-Color[class*=-BGC65] { + background-color: #5F875F +} + +div.highlight .-Color[class*=-C66] { + color: #5F8787 +} + +div.highlight .-Color[class*=-BGC66] { + background-color: #5F8787 +} + +div.highlight .-Color[class*=-C67] { + color: #5F87AF +} + +div.highlight .-Color[class*=-BGC67] { + background-color: #5F87AF +} + +div.highlight .-Color[class*=-C68] { + color: #5F87D7 +} + +div.highlight .-Color[class*=-BGC68] { + background-color: #5F87D7 +} + +div.highlight .-Color[class*=-C69] { + color: #5F87FF +} + +div.highlight .-Color[class*=-BGC69] { + background-color: #5F87FF +} + +div.highlight .-Color[class*=-C70] { + color: #5FAF00 +} + +div.highlight .-Color[class*=-BGC70] { + background-color: #5FAF00 +} + +div.highlight .-Color[class*=-C71] { + color: #5FAF5F +} + +div.highlight .-Color[class*=-BGC71] { + background-color: #5FAF5F +} + +div.highlight .-Color[class*=-C72] { + color: #5FAF87 +} + +div.highlight .-Color[class*=-BGC72] { + background-color: #5FAF87 +} + +div.highlight .-Color[class*=-C73] { + color: #5FAFAF +} + +div.highlight .-Color[class*=-BGC73] { + background-color: #5FAFAF +} + +div.highlight .-Color[class*=-C74] { + color: #5FAFD7 +} + +div.highlight .-Color[class*=-BGC74] { + background-color: #5FAFD7 +} + +div.highlight .-Color[class*=-C75] { + color: #5FAFFF +} + +div.highlight .-Color[class*=-BGC75] { + background-color: #5FAFFF +} + +div.highlight .-Color[class*=-C76] { + color: #5FD700 +} + +div.highlight .-Color[class*=-BGC76] { + background-color: #5FD700 +} + +div.highlight .-Color[class*=-C77] { + color: #5FD75F +} + +div.highlight .-Color[class*=-BGC77] { + background-color: #5FD75F +} + +div.highlight .-Color[class*=-C78] { + color: #5FD787 +} + +div.highlight .-Color[class*=-BGC78] { + background-color: #5FD787 +} + +div.highlight .-Color[class*=-C79] { + color: #5FD7AF +} + +div.highlight .-Color[class*=-BGC79] { + background-color: #5FD7AF +} + +div.highlight .-Color[class*=-C80] { + color: #5FD7D7 +} + +div.highlight .-Color[class*=-BGC80] { + background-color: #5FD7D7 +} + +div.highlight .-Color[class*=-C81] { + color: #5FD7FF +} + +div.highlight .-Color[class*=-BGC81] { + background-color: #5FD7FF +} + +div.highlight .-Color[class*=-C82] { + color: #5FFF00 +} + +div.highlight .-Color[class*=-BGC82] { + background-color: #5FFF00 +} + +div.highlight .-Color[class*=-C83] { + color: #5FFF5F +} + +div.highlight .-Color[class*=-BGC83] { + background-color: #5FFF5F +} + +div.highlight .-Color[class*=-C84] { + color: #5FFF87 +} + +div.highlight .-Color[class*=-BGC84] { + background-color: #5FFF87 +} + +div.highlight .-Color[class*=-C85] { + color: #5FFFAF +} + +div.highlight .-Color[class*=-BGC85] { + background-color: #5FFFAF +} + +div.highlight .-Color[class*=-C86] { + color: #5FFFD7 +} + +div.highlight .-Color[class*=-BGC86] { + background-color: #5FFFD7 +} + +div.highlight .-Color[class*=-C87] { + color: #5FFFFF +} + +div.highlight .-Color[class*=-BGC87] { + background-color: #5FFFFF +} + +div.highlight .-Color[class*=-C88] { + color: #870000 +} + +div.highlight .-Color[class*=-BGC88] { + background-color: #870000 +} + +div.highlight .-Color[class*=-C89] { + color: #87005F +} + +div.highlight .-Color[class*=-BGC89] { + background-color: #87005F +} + +div.highlight .-Color[class*=-C90] { + color: #870087 +} + +div.highlight .-Color[class*=-BGC90] { + background-color: #870087 +} + +div.highlight .-Color[class*=-C91] { + color: #8700AF +} + +div.highlight .-Color[class*=-BGC91] { + background-color: #8700AF +} + +div.highlight .-Color[class*=-C92] { + color: #8700D7 +} + +div.highlight .-Color[class*=-BGC92] { + background-color: #8700D7 +} + +div.highlight .-Color[class*=-C93] { + color: #8700FF +} + +div.highlight .-Color[class*=-BGC93] { + background-color: #8700FF +} + +div.highlight .-Color[class*=-C94] { + color: #875F00 +} + +div.highlight .-Color[class*=-BGC94] { + background-color: #875F00 +} + +div.highlight .-Color[class*=-C95] { + color: #875F5F +} + +div.highlight .-Color[class*=-BGC95] { + background-color: #875F5F +} + +div.highlight .-Color[class*=-C96] { + color: #875F87 +} + +div.highlight .-Color[class*=-BGC96] { + background-color: #875F87 +} + +div.highlight .-Color[class*=-C97] { + color: #875FAF +} + +div.highlight .-Color[class*=-BGC97] { + background-color: #875FAF +} + +div.highlight .-Color[class*=-C98] { + color: #875FD7 +} + +div.highlight .-Color[class*=-BGC98] { + background-color: #875FD7 +} + +div.highlight .-Color[class*=-C99] { + color: #875FFF +} + +div.highlight .-Color[class*=-BGC99] { + background-color: #875FFF +} + +div.highlight .-Color[class*=-C100] { + color: #878700 +} + +div.highlight .-Color[class*=-BGC100] { + background-color: #878700 +} + +div.highlight .-Color[class*=-C101] { + color: #87875F +} + +div.highlight .-Color[class*=-BGC101] { + background-color: #87875F +} + +div.highlight .-Color[class*=-C102] { + color: #878787 +} + +div.highlight .-Color[class*=-BGC102] { + background-color: #878787 +} + +div.highlight .-Color[class*=-C103] { + color: #8787AF +} + +div.highlight .-Color[class*=-BGC103] { + background-color: #8787AF +} + +div.highlight .-Color[class*=-C104] { + color: #8787D7 +} + +div.highlight .-Color[class*=-BGC104] { + background-color: #8787D7 +} + +div.highlight .-Color[class*=-C105] { + color: #8787FF +} + +div.highlight .-Color[class*=-BGC105] { + background-color: #8787FF +} + +div.highlight .-Color[class*=-C106] { + color: #87AF00 +} + +div.highlight .-Color[class*=-BGC106] { + background-color: #87AF00 +} + +div.highlight .-Color[class*=-C107] { + color: #87AF5F +} + +div.highlight .-Color[class*=-BGC107] { + background-color: #87AF5F +} + +div.highlight .-Color[class*=-C108] { + color: #87AF87 +} + +div.highlight .-Color[class*=-BGC108] { + background-color: #87AF87 +} + +div.highlight .-Color[class*=-C109] { + color: #87AFAF +} + +div.highlight .-Color[class*=-BGC109] { + background-color: #87AFAF +} + +div.highlight .-Color[class*=-C110] { + color: #87AFD7 +} + +div.highlight .-Color[class*=-BGC110] { + background-color: #87AFD7 +} + +div.highlight .-Color[class*=-C111] { + color: #87AFFF +} + +div.highlight .-Color[class*=-BGC111] { + background-color: #87AFFF +} + +div.highlight .-Color[class*=-C112] { + color: #87D700 +} + +div.highlight .-Color[class*=-BGC112] { + background-color: #87D700 +} + +div.highlight .-Color[class*=-C113] { + color: #87D75F +} + +div.highlight .-Color[class*=-BGC113] { + background-color: #87D75F +} + +div.highlight .-Color[class*=-C114] { + color: #87D787 +} + +div.highlight .-Color[class*=-BGC114] { + background-color: #87D787 +} + +div.highlight .-Color[class*=-C115] { + color: #87D7AF +} + +div.highlight .-Color[class*=-BGC115] { + background-color: #87D7AF +} + +div.highlight .-Color[class*=-C116] { + color: #87D7D7 +} + +div.highlight .-Color[class*=-BGC116] { + background-color: #87D7D7 +} + +div.highlight .-Color[class*=-C117] { + color: #87D7FF +} + +div.highlight .-Color[class*=-BGC117] { + background-color: #87D7FF +} + +div.highlight .-Color[class*=-C118] { + color: #87FF00 +} + +div.highlight .-Color[class*=-BGC118] { + background-color: #87FF00 +} + +div.highlight .-Color[class*=-C119] { + color: #87FF5F +} + +div.highlight .-Color[class*=-BGC119] { + background-color: #87FF5F +} + +div.highlight .-Color[class*=-C120] { + color: #87FF87 +} + +div.highlight .-Color[class*=-BGC120] { + background-color: #87FF87 +} + +div.highlight .-Color[class*=-C121] { + color: #87FFAF +} + +div.highlight .-Color[class*=-BGC121] { + background-color: #87FFAF +} + +div.highlight .-Color[class*=-C122] { + color: #87FFD7 +} + +div.highlight .-Color[class*=-BGC122] { + background-color: #87FFD7 +} + +div.highlight .-Color[class*=-C123] { + color: #87FFFF +} + +div.highlight .-Color[class*=-BGC123] { + background-color: #87FFFF +} + +div.highlight .-Color[class*=-C124] { + color: #AF0000 +} + +div.highlight .-Color[class*=-BGC124] { + background-color: #AF0000 +} + +div.highlight .-Color[class*=-C125] { + color: #AF005F +} + +div.highlight .-Color[class*=-BGC125] { + background-color: #AF005F +} + +div.highlight .-Color[class*=-C126] { + color: #AF0087 +} + +div.highlight .-Color[class*=-BGC126] { + background-color: #AF0087 +} + +div.highlight .-Color[class*=-C127] { + color: #AF00AF +} + +div.highlight .-Color[class*=-BGC127] { + background-color: #AF00AF +} + +div.highlight .-Color[class*=-C128] { + color: #AF00D7 +} + +div.highlight .-Color[class*=-BGC128] { + background-color: #AF00D7 +} + +div.highlight .-Color[class*=-C129] { + color: #AF00FF +} + +div.highlight .-Color[class*=-BGC129] { + background-color: #AF00FF +} + +div.highlight .-Color[class*=-C130] { + color: #AF5F00 +} + +div.highlight .-Color[class*=-BGC130] { + background-color: #AF5F00 +} + +div.highlight .-Color[class*=-C131] { + color: #AF5F5F +} + +div.highlight .-Color[class*=-BGC131] { + background-color: #AF5F5F +} + +div.highlight .-Color[class*=-C132] { + color: #AF5F87 +} + +div.highlight .-Color[class*=-BGC132] { + background-color: #AF5F87 +} + +div.highlight .-Color[class*=-C133] { + color: #AF5FAF +} + +div.highlight .-Color[class*=-BGC133] { + background-color: #AF5FAF +} + +div.highlight .-Color[class*=-C134] { + color: #AF5FD7 +} + +div.highlight .-Color[class*=-BGC134] { + background-color: #AF5FD7 +} + +div.highlight .-Color[class*=-C135] { + color: #AF5FFF +} + +div.highlight .-Color[class*=-BGC135] { + background-color: #AF5FFF +} + +div.highlight .-Color[class*=-C136] { + color: #AF8700 +} + +div.highlight .-Color[class*=-BGC136] { + background-color: #AF8700 +} + +div.highlight .-Color[class*=-C137] { + color: #AF875F +} + +div.highlight .-Color[class*=-BGC137] { + background-color: #AF875F +} + +div.highlight .-Color[class*=-C138] { + color: #AF8787 +} + +div.highlight .-Color[class*=-BGC138] { + background-color: #AF8787 +} + +div.highlight .-Color[class*=-C139] { + color: #AF87AF +} + +div.highlight .-Color[class*=-BGC139] { + background-color: #AF87AF +} + +div.highlight .-Color[class*=-C140] { + color: #AF87D7 +} + +div.highlight .-Color[class*=-BGC140] { + background-color: #AF87D7 +} + +div.highlight .-Color[class*=-C141] { + color: #AF87FF +} + +div.highlight .-Color[class*=-BGC141] { + background-color: #AF87FF +} + +div.highlight .-Color[class*=-C142] { + color: #AFAF00 +} + +div.highlight .-Color[class*=-BGC142] { + background-color: #AFAF00 +} + +div.highlight .-Color[class*=-C143] { + color: #AFAF5F +} + +div.highlight .-Color[class*=-BGC143] { + background-color: #AFAF5F +} + +div.highlight .-Color[class*=-C144] { + color: #AFAF87 +} + +div.highlight .-Color[class*=-BGC144] { + background-color: #AFAF87 +} + +div.highlight .-Color[class*=-C145] { + color: #AFAFAF +} + +div.highlight .-Color[class*=-BGC145] { + background-color: #AFAFAF +} + +div.highlight .-Color[class*=-C146] { + color: #AFAFD7 +} + +div.highlight .-Color[class*=-BGC146] { + background-color: #AFAFD7 +} + +div.highlight .-Color[class*=-C147] { + color: #AFAFFF +} + +div.highlight .-Color[class*=-BGC147] { + background-color: #AFAFFF +} + +div.highlight .-Color[class*=-C148] { + color: #AFD700 +} + +div.highlight .-Color[class*=-BGC148] { + background-color: #AFD700 +} + +div.highlight .-Color[class*=-C149] { + color: #AFD75F +} + +div.highlight .-Color[class*=-BGC149] { + background-color: #AFD75F +} + +div.highlight .-Color[class*=-C150] { + color: #AFD787 +} + +div.highlight .-Color[class*=-BGC150] { + background-color: #AFD787 +} + +div.highlight .-Color[class*=-C151] { + color: #AFD7AF +} + +div.highlight .-Color[class*=-BGC151] { + background-color: #AFD7AF +} + +div.highlight .-Color[class*=-C152] { + color: #AFD7D7 +} + +div.highlight .-Color[class*=-BGC152] { + background-color: #AFD7D7 +} + +div.highlight .-Color[class*=-C153] { + color: #AFD7FF +} + +div.highlight .-Color[class*=-BGC153] { + background-color: #AFD7FF +} + +div.highlight .-Color[class*=-C154] { + color: #AFFF00 +} + +div.highlight .-Color[class*=-BGC154] { + background-color: #AFFF00 +} + +div.highlight .-Color[class*=-C155] { + color: #AFFF5F +} + +div.highlight .-Color[class*=-BGC155] { + background-color: #AFFF5F +} + +div.highlight .-Color[class*=-C156] { + color: #AFFF87 +} + +div.highlight .-Color[class*=-BGC156] { + background-color: #AFFF87 +} + +div.highlight .-Color[class*=-C157] { + color: #AFFFAF +} + +div.highlight .-Color[class*=-BGC157] { + background-color: #AFFFAF +} + +div.highlight .-Color[class*=-C158] { + color: #AFFFD7 +} + +div.highlight .-Color[class*=-BGC158] { + background-color: #AFFFD7 +} + +div.highlight .-Color[class*=-C159] { + color: #AFFFFF +} + +div.highlight .-Color[class*=-BGC159] { + background-color: #AFFFFF +} + +div.highlight .-Color[class*=-C160] { + color: #D70000 +} + +div.highlight .-Color[class*=-BGC160] { + background-color: #D70000 +} + +div.highlight .-Color[class*=-C161] { + color: #D7005F +} + +div.highlight .-Color[class*=-BGC161] { + background-color: #D7005F +} + +div.highlight .-Color[class*=-C162] { + color: #D70087 +} + +div.highlight .-Color[class*=-BGC162] { + background-color: #D70087 +} + +div.highlight .-Color[class*=-C163] { + color: #D700AF +} + +div.highlight .-Color[class*=-BGC163] { + background-color: #D700AF +} + +div.highlight .-Color[class*=-C164] { + color: #D700D7 +} + +div.highlight .-Color[class*=-BGC164] { + background-color: #D700D7 +} + +div.highlight .-Color[class*=-C165] { + color: #D700FF +} + +div.highlight .-Color[class*=-BGC165] { + background-color: #D700FF +} + +div.highlight .-Color[class*=-C166] { + color: #D75F00 +} + +div.highlight .-Color[class*=-BGC166] { + background-color: #D75F00 +} + +div.highlight 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xe='[data-bs-toggle="button"]';class ke extends ve{static get NAME(){return"button"}toggle(){this._element.setAttribute("aria-pressed",this._element.classList.toggle("active"))}static jQueryInterface(t){return this.each((function(){const e=ke.getOrCreateInstance(this);"toggle"===t&&e[t]()}))}}fe.on(document,"click.bs.button.data-api",xe,(t=>{t.preventDefault();const e=t.target.closest(xe);ke.getOrCreateInstance(e).toggle()})),Qt(ke);const Le=".bs.swipe",Se=`touchstart${Le}`,De=`touchmove${Le}`,$e=`touchend${Le}`,Ie=`pointerdown${Le}`,Ne=`pointerup${Le}`,Pe={endCallback:null,leftCallback:null,rightCallback:null},Me={endCallback:"(function|null)",leftCallback:"(function|null)",rightCallback:"(function|null)"};class je extends be{constructor(t,e){super(),this._element=t,t&&je.isSupported()&&(this._config=this._getConfig(e),this._deltaX=0,this._supportPointerEvents=Boolean(window.PointerEvent),this._initEvents())}static get Default(){return Pe}static get DefaultType(){return Me}static get NAME(){return"swipe"}dispose(){fe.off(this._element,Le)}_start(t){this._supportPointerEvents?this._eventIsPointerPenTouch(t)&&(this._deltaX=t.clientX):this._deltaX=t.touches[0].clientX}_end(t){this._eventIsPointerPenTouch(t)&&(this._deltaX=t.clientX-this._deltaX),this._handleSwipe(),Xt(this._config.endCallback)}_move(t){this._deltaX=t.touches&&t.touches.length>1?0:t.touches[0].clientX-this._deltaX}_handleSwipe(){const t=Math.abs(this._deltaX);if(t<=40)return;const e=t/this._deltaX;this._deltaX=0,e&&Xt(e>0?this._config.rightCallback:this._config.leftCallback)}_initEvents(){this._supportPointerEvents?(fe.on(this._element,Ie,(t=>this._start(t))),fe.on(this._element,Ne,(t=>this._end(t))),this._element.classList.add("pointer-event")):(fe.on(this._element,Se,(t=>this._start(t))),fe.on(this._element,De,(t=>this._move(t))),fe.on(this._element,$e,(t=>this._end(t))))}_eventIsPointerPenTouch(t){return this._supportPointerEvents&&("pen"===t.pointerType||"touch"===t.pointerType)}static isSupported(){return"ontouchstart"in document.documentElement||navigator.maxTouchPoints>0}}const Fe=".bs.carousel",He=".data-api",Be="next",We="prev",ze="left",Re="right",qe=`slide${Fe}`,Ve=`slid${Fe}`,Ye=`keydown${Fe}`,Ke=`mouseenter${Fe}`,Qe=`mouseleave${Fe}`,Xe=`dragstart${Fe}`,Ue=`load${Fe}${He}`,Ge=`click${Fe}${He}`,Je="carousel",Ze="active",ti=".active",ei=".carousel-item",ii=ti+ei,ni={ArrowLeft:Re,ArrowRight:ze},si={interval:5e3,keyboard:!0,pause:"hover",ride:!1,touch:!0,wrap:!0},oi={interval:"(number|boolean)",keyboard:"boolean",pause:"(string|boolean)",ride:"(boolean|string)",touch:"boolean",wrap:"boolean"};class ri extends ve{constructor(t,e){super(t,e),this._interval=null,this._activeElement=null,this._isSliding=!1,this.touchTimeout=null,this._swipeHelper=null,this._indicatorsElement=we.findOne(".carousel-indicators",this._element),this._addEventListeners(),this._config.ride===Je&&this.cycle()}static get Default(){return si}static get DefaultType(){return oi}static get NAME(){return"carousel"}next(){this._slide(Be)}nextWhenVisible(){!document.hidden&&Bt(this._element)&&this.next()}prev(){this._slide(We)}pause(){this._isSliding&&jt(this._element),this._clearInterval()}cycle(){this._clearInterval(),this._updateInterval(),this._interval=setInterval((()=>this.nextWhenVisible()),this._config.interval)}_maybeEnableCycle(){this._config.ride&&(this._isSliding?fe.one(this._element,Ve,(()=>this.cycle())):this.cycle())}to(t){const e=this._getItems();if(t>e.length-1||t<0)return;if(this._isSliding)return void fe.one(this._element,Ve,(()=>this.to(t)));const i=this._getItemIndex(this._getActive());if(i===t)return;const n=t>i?Be:We;this._slide(n,e[t])}dispose(){this._swipeHelper&&this._swipeHelper.dispose(),super.dispose()}_configAfterMerge(t){return t.defaultInterval=t.interval,t}_addEventListeners(){this._config.keyboard&&fe.on(this._element,Ye,(t=>this._keydown(t))),"hover"===this._config.pause&&(fe.on(this._element,Ke,(()=>this.pause())),fe.on(this._element,Qe,(()=>this._maybeEnableCycle()))),this._config.touch&&je.isSupported()&&this._addTouchEventListeners()}_addTouchEventListeners(){for(const t of we.find(".carousel-item img",this._element))fe.on(t,Xe,(t=>t.preventDefault()));const t={leftCallback:()=>this._slide(this._directionToOrder(ze)),rightCallback:()=>this._slide(this._directionToOrder(Re)),endCallback:()=>{"hover"===this._config.pause&&(this.pause(),this.touchTimeout&&clearTimeout(this.touchTimeout),this.touchTimeout=setTimeout((()=>this._maybeEnableCycle()),500+this._config.interval))}};this._swipeHelper=new je(this._element,t)}_keydown(t){if(/input|textarea/i.test(t.target.tagName))return;const e=ni[t.key];e&&(t.preventDefault(),this._slide(this._directionToOrder(e)))}_getItemIndex(t){return this._getItems().indexOf(t)}_setActiveIndicatorElement(t){if(!this._indicatorsElement)return;const e=we.findOne(ti,this._indicatorsElement);e.classList.remove(Ze),e.removeAttribute("aria-current");const i=we.findOne(`[data-bs-slide-to="${t}"]`,this._indicatorsElement);i&&(i.classList.add(Ze),i.setAttribute("aria-current","true"))}_updateInterval(){const t=this._activeElement||this._getActive();if(!t)return;const e=Number.parseInt(t.getAttribute("data-bs-interval"),10);this._config.interval=e||this._config.defaultInterval}_slide(t,e=null){if(this._isSliding)return;const i=this._getActive(),n=t===Be,s=e||Gt(this._getItems(),i,n,this._config.wrap);if(s===i)return;const o=this._getItemIndex(s),r=e=>fe.trigger(this._element,e,{relatedTarget:s,direction:this._orderToDirection(t),from:this._getItemIndex(i),to:o});if(r(qe).defaultPrevented)return;if(!i||!s)return;const a=Boolean(this._interval);this.pause(),this._isSliding=!0,this._setActiveIndicatorElement(o),this._activeElement=s;const l=n?"carousel-item-start":"carousel-item-end",c=n?"carousel-item-next":"carousel-item-prev";s.classList.add(c),qt(s),i.classList.add(l),s.classList.add(l),this._queueCallback((()=>{s.classList.remove(l,c),s.classList.add(Ze),i.classList.remove(Ze,c,l),this._isSliding=!1,r(Ve)}),i,this._isAnimated()),a&&this.cycle()}_isAnimated(){return this._element.classList.contains("slide")}_getActive(){return we.findOne(ii,this._element)}_getItems(){return we.find(ei,this._element)}_clearInterval(){this._interval&&(clearInterval(this._interval),this._interval=null)}_directionToOrder(t){return Kt()?t===ze?We:Be:t===ze?Be:We}_orderToDirection(t){return Kt()?t===We?ze:Re:t===We?Re:ze}static jQueryInterface(t){return this.each((function(){const e=ri.getOrCreateInstance(this,t);if("number"!=typeof t){if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t]()}}else e.to(t)}))}}fe.on(document,Ge,"[data-bs-slide], [data-bs-slide-to]",(function(t){const e=we.getElementFromSelector(this);if(!e||!e.classList.contains(Je))return;t.preventDefault();const i=ri.getOrCreateInstance(e),n=this.getAttribute("data-bs-slide-to");return n?(i.to(n),void i._maybeEnableCycle()):"next"===_e.getDataAttribute(this,"slide")?(i.next(),void i._maybeEnableCycle()):(i.prev(),void i._maybeEnableCycle())})),fe.on(window,Ue,(()=>{const t=we.find('[data-bs-ride="carousel"]');for(const e of t)ri.getOrCreateInstance(e)})),Qt(ri);const ai=".bs.collapse",li=`show${ai}`,ci=`shown${ai}`,hi=`hide${ai}`,di=`hidden${ai}`,ui=`click${ai}.data-api`,fi="show",pi="collapse",mi="collapsing",gi=`:scope .${pi} .${pi}`,_i='[data-bs-toggle="collapse"]',bi={parent:null,toggle:!0},vi={parent:"(null|element)",toggle:"boolean"};class yi extends ve{constructor(t,e){super(t,e),this._isTransitioning=!1,this._triggerArray=[];const i=we.find(_i);for(const t of i){const e=we.getSelectorFromElement(t),i=we.find(e).filter((t=>t===this._element));null!==e&&i.length&&this._triggerArray.push(t)}this._initializeChildren(),this._config.parent||this._addAriaAndCollapsedClass(this._triggerArray,this._isShown()),this._config.toggle&&this.toggle()}static get Default(){return bi}static get DefaultType(){return vi}static get NAME(){return"collapse"}toggle(){this._isShown()?this.hide():this.show()}show(){if(this._isTransitioning||this._isShown())return;let t=[];if(this._config.parent&&(t=this._getFirstLevelChildren(".collapse.show, .collapse.collapsing").filter((t=>t!==this._element)).map((t=>yi.getOrCreateInstance(t,{toggle:!1})))),t.length&&t[0]._isTransitioning)return;if(fe.trigger(this._element,li).defaultPrevented)return;for(const e of t)e.hide();const e=this._getDimension();this._element.classList.remove(pi),this._element.classList.add(mi),this._element.style[e]=0,this._addAriaAndCollapsedClass(this._triggerArray,!0),this._isTransitioning=!0;const i=`scroll${e[0].toUpperCase()+e.slice(1)}`;this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(mi),this._element.classList.add(pi,fi),this._element.style[e]="",fe.trigger(this._element,ci)}),this._element,!0),this._element.style[e]=`${this._element[i]}px`}hide(){if(this._isTransitioning||!this._isShown())return;if(fe.trigger(this._element,hi).defaultPrevented)return;const t=this._getDimension();this._element.style[t]=`${this._element.getBoundingClientRect()[t]}px`,qt(this._element),this._element.classList.add(mi),this._element.classList.remove(pi,fi);for(const t of this._triggerArray){const e=we.getElementFromSelector(t);e&&!this._isShown(e)&&this._addAriaAndCollapsedClass([t],!1)}this._isTransitioning=!0,this._element.style[t]="",this._queueCallback((()=>{this._isTransitioning=!1,this._element.classList.remove(mi),this._element.classList.add(pi),fe.trigger(this._element,di)}),this._element,!0)}_isShown(t=this._element){return t.classList.contains(fi)}_configAfterMerge(t){return t.toggle=Boolean(t.toggle),t.parent=Ht(t.parent),t}_getDimension(){return this._element.classList.contains("collapse-horizontal")?"width":"height"}_initializeChildren(){if(!this._config.parent)return;const t=this._getFirstLevelChildren(_i);for(const e of t){const t=we.getElementFromSelector(e);t&&this._addAriaAndCollapsedClass([e],this._isShown(t))}}_getFirstLevelChildren(t){const e=we.find(gi,this._config.parent);return we.find(t,this._config.parent).filter((t=>!e.includes(t)))}_addAriaAndCollapsedClass(t,e){if(t.length)for(const i of t)i.classList.toggle("collapsed",!e),i.setAttribute("aria-expanded",e)}static jQueryInterface(t){const e={};return"string"==typeof t&&/show|hide/.test(t)&&(e.toggle=!1),this.each((function(){const i=yi.getOrCreateInstance(this,e);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named "${t}"`);i[t]()}}))}}fe.on(document,ui,_i,(function(t){("A"===t.target.tagName||t.delegateTarget&&"A"===t.delegateTarget.tagName)&&t.preventDefault();for(const t of we.getMultipleElementsFromSelector(this))yi.getOrCreateInstance(t,{toggle:!1}).toggle()})),Qt(yi);const wi="dropdown",Ei=".bs.dropdown",Ai=".data-api",Ti="ArrowUp",Ci="ArrowDown",Oi=`hide${Ei}`,xi=`hidden${Ei}`,ki=`show${Ei}`,Li=`shown${Ei}`,Si=`click${Ei}${Ai}`,Di=`keydown${Ei}${Ai}`,$i=`keyup${Ei}${Ai}`,Ii="show",Ni='[data-bs-toggle="dropdown"]:not(.disabled):not(:disabled)',Pi=`${Ni}.${Ii}`,Mi=".dropdown-menu",ji=Kt()?"top-end":"top-start",Fi=Kt()?"top-start":"top-end",Hi=Kt()?"bottom-end":"bottom-start",Bi=Kt()?"bottom-start":"bottom-end",Wi=Kt()?"left-start":"right-start",zi=Kt()?"right-start":"left-start",Ri={autoClose:!0,boundary:"clippingParents",display:"dynamic",offset:[0,2],popperConfig:null,reference:"toggle"},qi={autoClose:"(boolean|string)",boundary:"(string|element)",display:"string",offset:"(array|string|function)",popperConfig:"(null|object|function)",reference:"(string|element|object)"};class Vi extends ve{constructor(t,e){super(t,e),this._popper=null,this._parent=this._element.parentNode,this._menu=we.next(this._element,Mi)[0]||we.prev(this._element,Mi)[0]||we.findOne(Mi,this._parent),this._inNavbar=this._detectNavbar()}static get Default(){return Ri}static get DefaultType(){return qi}static get NAME(){return wi}toggle(){return this._isShown()?this.hide():this.show()}show(){if(Wt(this._element)||this._isShown())return;const t={relatedTarget:this._element};if(!fe.trigger(this._element,ki,t).defaultPrevented){if(this._createPopper(),"ontouchstart"in document.documentElement&&!this._parent.closest(".navbar-nav"))for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._element.focus(),this._element.setAttribute("aria-expanded",!0),this._menu.classList.add(Ii),this._element.classList.add(Ii),fe.trigger(this._element,Li,t)}}hide(){if(Wt(this._element)||!this._isShown())return;const t={relatedTarget:this._element};this._completeHide(t)}dispose(){this._popper&&this._popper.destroy(),super.dispose()}update(){this._inNavbar=this._detectNavbar(),this._popper&&this._popper.update()}_completeHide(t){if(!fe.trigger(this._element,Oi,t).defaultPrevented){if("ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._popper&&this._popper.destroy(),this._menu.classList.remove(Ii),this._element.classList.remove(Ii),this._element.setAttribute("aria-expanded","false"),_e.removeDataAttribute(this._menu,"popper"),fe.trigger(this._element,xi,t)}}_getConfig(t){if("object"==typeof(t=super._getConfig(t)).reference&&!Ft(t.reference)&&"function"!=typeof t.reference.getBoundingClientRect)throw new TypeError(`${wi.toUpperCase()}: Option "reference" provided type "object" without a required "getBoundingClientRect" method.`);return t}_createPopper(){if(void 0===e)throw new TypeError("Bootstrap's dropdowns require Popper (https://popper.js.org)");let t=this._element;"parent"===this._config.reference?t=this._parent:Ft(this._config.reference)?t=Ht(this._config.reference):"object"==typeof this._config.reference&&(t=this._config.reference);const i=this._getPopperConfig();this._popper=Dt(t,this._menu,i)}_isShown(){return this._menu.classList.contains(Ii)}_getPlacement(){const t=this._parent;if(t.classList.contains("dropend"))return Wi;if(t.classList.contains("dropstart"))return zi;if(t.classList.contains("dropup-center"))return"top";if(t.classList.contains("dropdown-center"))return"bottom";const e="end"===getComputedStyle(this._menu).getPropertyValue("--bs-position").trim();return t.classList.contains("dropup")?e?Fi:ji:e?Bi:Hi}_detectNavbar(){return null!==this._element.closest(".navbar")}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_getPopperConfig(){const t={placement:this._getPlacement(),modifiers:[{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"offset",options:{offset:this._getOffset()}}]};return(this._inNavbar||"static"===this._config.display)&&(_e.setDataAttribute(this._menu,"popper","static"),t.modifiers=[{name:"applyStyles",enabled:!1}]),{...t,...Xt(this._config.popperConfig,[t])}}_selectMenuItem({key:t,target:e}){const i=we.find(".dropdown-menu .dropdown-item:not(.disabled):not(:disabled)",this._menu).filter((t=>Bt(t)));i.length&&Gt(i,e,t===Ci,!i.includes(e)).focus()}static jQueryInterface(t){return this.each((function(){const e=Vi.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}static clearMenus(t){if(2===t.button||"keyup"===t.type&&"Tab"!==t.key)return;const e=we.find(Pi);for(const i of e){const e=Vi.getInstance(i);if(!e||!1===e._config.autoClose)continue;const n=t.composedPath(),s=n.includes(e._menu);if(n.includes(e._element)||"inside"===e._config.autoClose&&!s||"outside"===e._config.autoClose&&s)continue;if(e._menu.contains(t.target)&&("keyup"===t.type&&"Tab"===t.key||/input|select|option|textarea|form/i.test(t.target.tagName)))continue;const o={relatedTarget:e._element};"click"===t.type&&(o.clickEvent=t),e._completeHide(o)}}static dataApiKeydownHandler(t){const e=/input|textarea/i.test(t.target.tagName),i="Escape"===t.key,n=[Ti,Ci].includes(t.key);if(!n&&!i)return;if(e&&!i)return;t.preventDefault();const s=this.matches(Ni)?this:we.prev(this,Ni)[0]||we.next(this,Ni)[0]||we.findOne(Ni,t.delegateTarget.parentNode),o=Vi.getOrCreateInstance(s);if(n)return t.stopPropagation(),o.show(),void o._selectMenuItem(t);o._isShown()&&(t.stopPropagation(),o.hide(),s.focus())}}fe.on(document,Di,Ni,Vi.dataApiKeydownHandler),fe.on(document,Di,Mi,Vi.dataApiKeydownHandler),fe.on(document,Si,Vi.clearMenus),fe.on(document,$i,Vi.clearMenus),fe.on(document,Si,Ni,(function(t){t.preventDefault(),Vi.getOrCreateInstance(this).toggle()})),Qt(Vi);const Yi="backdrop",Ki="show",Qi=`mousedown.bs.${Yi}`,Xi={className:"modal-backdrop",clickCallback:null,isAnimated:!1,isVisible:!0,rootElement:"body"},Ui={className:"string",clickCallback:"(function|null)",isAnimated:"boolean",isVisible:"boolean",rootElement:"(element|string)"};class Gi extends be{constructor(t){super(),this._config=this._getConfig(t),this._isAppended=!1,this._element=null}static get Default(){return Xi}static get DefaultType(){return Ui}static get NAME(){return Yi}show(t){if(!this._config.isVisible)return void Xt(t);this._append();const e=this._getElement();this._config.isAnimated&&qt(e),e.classList.add(Ki),this._emulateAnimation((()=>{Xt(t)}))}hide(t){this._config.isVisible?(this._getElement().classList.remove(Ki),this._emulateAnimation((()=>{this.dispose(),Xt(t)}))):Xt(t)}dispose(){this._isAppended&&(fe.off(this._element,Qi),this._element.remove(),this._isAppended=!1)}_getElement(){if(!this._element){const t=document.createElement("div");t.className=this._config.className,this._config.isAnimated&&t.classList.add("fade"),this._element=t}return this._element}_configAfterMerge(t){return t.rootElement=Ht(t.rootElement),t}_append(){if(this._isAppended)return;const t=this._getElement();this._config.rootElement.append(t),fe.on(t,Qi,(()=>{Xt(this._config.clickCallback)})),this._isAppended=!0}_emulateAnimation(t){Ut(t,this._getElement(),this._config.isAnimated)}}const Ji=".bs.focustrap",Zi=`focusin${Ji}`,tn=`keydown.tab${Ji}`,en="backward",nn={autofocus:!0,trapElement:null},sn={autofocus:"boolean",trapElement:"element"};class on extends be{constructor(t){super(),this._config=this._getConfig(t),this._isActive=!1,this._lastTabNavDirection=null}static get Default(){return nn}static get DefaultType(){return sn}static get NAME(){return"focustrap"}activate(){this._isActive||(this._config.autofocus&&this._config.trapElement.focus(),fe.off(document,Ji),fe.on(document,Zi,(t=>this._handleFocusin(t))),fe.on(document,tn,(t=>this._handleKeydown(t))),this._isActive=!0)}deactivate(){this._isActive&&(this._isActive=!1,fe.off(document,Ji))}_handleFocusin(t){const{trapElement:e}=this._config;if(t.target===document||t.target===e||e.contains(t.target))return;const i=we.focusableChildren(e);0===i.length?e.focus():this._lastTabNavDirection===en?i[i.length-1].focus():i[0].focus()}_handleKeydown(t){"Tab"===t.key&&(this._lastTabNavDirection=t.shiftKey?en:"forward")}}const rn=".fixed-top, .fixed-bottom, .is-fixed, .sticky-top",an=".sticky-top",ln="padding-right",cn="margin-right";class hn{constructor(){this._element=document.body}getWidth(){const t=document.documentElement.clientWidth;return Math.abs(window.innerWidth-t)}hide(){const t=this.getWidth();this._disableOverFlow(),this._setElementAttributes(this._element,ln,(e=>e+t)),this._setElementAttributes(rn,ln,(e=>e+t)),this._setElementAttributes(an,cn,(e=>e-t))}reset(){this._resetElementAttributes(this._element,"overflow"),this._resetElementAttributes(this._element,ln),this._resetElementAttributes(rn,ln),this._resetElementAttributes(an,cn)}isOverflowing(){return this.getWidth()>0}_disableOverFlow(){this._saveInitialAttribute(this._element,"overflow"),this._element.style.overflow="hidden"}_setElementAttributes(t,e,i){const n=this.getWidth();this._applyManipulationCallback(t,(t=>{if(t!==this._element&&window.innerWidth>t.clientWidth+n)return;this._saveInitialAttribute(t,e);const s=window.getComputedStyle(t).getPropertyValue(e);t.style.setProperty(e,`${i(Number.parseFloat(s))}px`)}))}_saveInitialAttribute(t,e){const i=t.style.getPropertyValue(e);i&&_e.setDataAttribute(t,e,i)}_resetElementAttributes(t,e){this._applyManipulationCallback(t,(t=>{const i=_e.getDataAttribute(t,e);null!==i?(_e.removeDataAttribute(t,e),t.style.setProperty(e,i)):t.style.removeProperty(e)}))}_applyManipulationCallback(t,e){if(Ft(t))e(t);else for(const i of we.find(t,this._element))e(i)}}const dn=".bs.modal",un=`hide${dn}`,fn=`hidePrevented${dn}`,pn=`hidden${dn}`,mn=`show${dn}`,gn=`shown${dn}`,_n=`resize${dn}`,bn=`click.dismiss${dn}`,vn=`mousedown.dismiss${dn}`,yn=`keydown.dismiss${dn}`,wn=`click${dn}.data-api`,En="modal-open",An="show",Tn="modal-static",Cn={backdrop:!0,focus:!0,keyboard:!0},On={backdrop:"(boolean|string)",focus:"boolean",keyboard:"boolean"};class xn extends ve{constructor(t,e){super(t,e),this._dialog=we.findOne(".modal-dialog",this._element),this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._isShown=!1,this._isTransitioning=!1,this._scrollBar=new hn,this._addEventListeners()}static get Default(){return Cn}static get DefaultType(){return On}static get NAME(){return"modal"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||this._isTransitioning||fe.trigger(this._element,mn,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._isTransitioning=!0,this._scrollBar.hide(),document.body.classList.add(En),this._adjustDialog(),this._backdrop.show((()=>this._showElement(t))))}hide(){this._isShown&&!this._isTransitioning&&(fe.trigger(this._element,un).defaultPrevented||(this._isShown=!1,this._isTransitioning=!0,this._focustrap.deactivate(),this._element.classList.remove(An),this._queueCallback((()=>this._hideModal()),this._element,this._isAnimated())))}dispose(){fe.off(window,dn),fe.off(this._dialog,dn),this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}handleUpdate(){this._adjustDialog()}_initializeBackDrop(){return new Gi({isVisible:Boolean(this._config.backdrop),isAnimated:this._isAnimated()})}_initializeFocusTrap(){return new on({trapElement:this._element})}_showElement(t){document.body.contains(this._element)||document.body.append(this._element),this._element.style.display="block",this._element.removeAttribute("aria-hidden"),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.scrollTop=0;const e=we.findOne(".modal-body",this._dialog);e&&(e.scrollTop=0),qt(this._element),this._element.classList.add(An),this._queueCallback((()=>{this._config.focus&&this._focustrap.activate(),this._isTransitioning=!1,fe.trigger(this._element,gn,{relatedTarget:t})}),this._dialog,this._isAnimated())}_addEventListeners(){fe.on(this._element,yn,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():this._triggerBackdropTransition())})),fe.on(window,_n,(()=>{this._isShown&&!this._isTransitioning&&this._adjustDialog()})),fe.on(this._element,vn,(t=>{fe.one(this._element,bn,(e=>{this._element===t.target&&this._element===e.target&&("static"!==this._config.backdrop?this._config.backdrop&&this.hide():this._triggerBackdropTransition())}))}))}_hideModal(){this._element.style.display="none",this._element.setAttribute("aria-hidden",!0),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._isTransitioning=!1,this._backdrop.hide((()=>{document.body.classList.remove(En),this._resetAdjustments(),this._scrollBar.reset(),fe.trigger(this._element,pn)}))}_isAnimated(){return this._element.classList.contains("fade")}_triggerBackdropTransition(){if(fe.trigger(this._element,fn).defaultPrevented)return;const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._element.style.overflowY;"hidden"===e||this._element.classList.contains(Tn)||(t||(this._element.style.overflowY="hidden"),this._element.classList.add(Tn),this._queueCallback((()=>{this._element.classList.remove(Tn),this._queueCallback((()=>{this._element.style.overflowY=e}),this._dialog)}),this._dialog),this._element.focus())}_adjustDialog(){const t=this._element.scrollHeight>document.documentElement.clientHeight,e=this._scrollBar.getWidth(),i=e>0;if(i&&!t){const t=Kt()?"paddingLeft":"paddingRight";this._element.style[t]=`${e}px`}if(!i&&t){const t=Kt()?"paddingRight":"paddingLeft";this._element.style[t]=`${e}px`}}_resetAdjustments(){this._element.style.paddingLeft="",this._element.style.paddingRight=""}static jQueryInterface(t,e){return this.each((function(){const i=xn.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===i[t])throw new TypeError(`No method named "${t}"`);i[t](e)}}))}}fe.on(document,wn,'[data-bs-toggle="modal"]',(function(t){const e=we.getElementFromSelector(this);["A","AREA"].includes(this.tagName)&&t.preventDefault(),fe.one(e,mn,(t=>{t.defaultPrevented||fe.one(e,pn,(()=>{Bt(this)&&this.focus()}))}));const i=we.findOne(".modal.show");i&&xn.getInstance(i).hide(),xn.getOrCreateInstance(e).toggle(this)})),Ee(xn),Qt(xn);const kn=".bs.offcanvas",Ln=".data-api",Sn=`load${kn}${Ln}`,Dn="show",$n="showing",In="hiding",Nn=".offcanvas.show",Pn=`show${kn}`,Mn=`shown${kn}`,jn=`hide${kn}`,Fn=`hidePrevented${kn}`,Hn=`hidden${kn}`,Bn=`resize${kn}`,Wn=`click${kn}${Ln}`,zn=`keydown.dismiss${kn}`,Rn={backdrop:!0,keyboard:!0,scroll:!1},qn={backdrop:"(boolean|string)",keyboard:"boolean",scroll:"boolean"};class Vn extends ve{constructor(t,e){super(t,e),this._isShown=!1,this._backdrop=this._initializeBackDrop(),this._focustrap=this._initializeFocusTrap(),this._addEventListeners()}static get Default(){return Rn}static get DefaultType(){return qn}static get NAME(){return"offcanvas"}toggle(t){return this._isShown?this.hide():this.show(t)}show(t){this._isShown||fe.trigger(this._element,Pn,{relatedTarget:t}).defaultPrevented||(this._isShown=!0,this._backdrop.show(),this._config.scroll||(new hn).hide(),this._element.setAttribute("aria-modal",!0),this._element.setAttribute("role","dialog"),this._element.classList.add($n),this._queueCallback((()=>{this._config.scroll&&!this._config.backdrop||this._focustrap.activate(),this._element.classList.add(Dn),this._element.classList.remove($n),fe.trigger(this._element,Mn,{relatedTarget:t})}),this._element,!0))}hide(){this._isShown&&(fe.trigger(this._element,jn).defaultPrevented||(this._focustrap.deactivate(),this._element.blur(),this._isShown=!1,this._element.classList.add(In),this._backdrop.hide(),this._queueCallback((()=>{this._element.classList.remove(Dn,In),this._element.removeAttribute("aria-modal"),this._element.removeAttribute("role"),this._config.scroll||(new hn).reset(),fe.trigger(this._element,Hn)}),this._element,!0)))}dispose(){this._backdrop.dispose(),this._focustrap.deactivate(),super.dispose()}_initializeBackDrop(){const t=Boolean(this._config.backdrop);return new Gi({className:"offcanvas-backdrop",isVisible:t,isAnimated:!0,rootElement:this._element.parentNode,clickCallback:t?()=>{"static"!==this._config.backdrop?this.hide():fe.trigger(this._element,Fn)}:null})}_initializeFocusTrap(){return new on({trapElement:this._element})}_addEventListeners(){fe.on(this._element,zn,(t=>{"Escape"===t.key&&(this._config.keyboard?this.hide():fe.trigger(this._element,Fn))}))}static jQueryInterface(t){return this.each((function(){const e=Vn.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t]||t.startsWith("_")||"constructor"===t)throw new TypeError(`No method named "${t}"`);e[t](this)}}))}}fe.on(document,Wn,'[data-bs-toggle="offcanvas"]',(function(t){const e=we.getElementFromSelector(this);if(["A","AREA"].includes(this.tagName)&&t.preventDefault(),Wt(this))return;fe.one(e,Hn,(()=>{Bt(this)&&this.focus()}));const i=we.findOne(Nn);i&&i!==e&&Vn.getInstance(i).hide(),Vn.getOrCreateInstance(e).toggle(this)})),fe.on(window,Sn,(()=>{for(const t of we.find(Nn))Vn.getOrCreateInstance(t).show()})),fe.on(window,Bn,(()=>{for(const t of we.find("[aria-modal][class*=show][class*=offcanvas-]"))"fixed"!==getComputedStyle(t).position&&Vn.getOrCreateInstance(t).hide()})),Ee(Vn),Qt(Vn);const Yn={"*":["class","dir","id","lang","role",/^aria-[\w-]*$/i],a:["target","href","title","rel"],area:[],b:[],br:[],col:[],code:[],div:[],em:[],hr:[],h1:[],h2:[],h3:[],h4:[],h5:[],h6:[],i:[],img:["src","srcset","alt","title","width","height"],li:[],ol:[],p:[],pre:[],s:[],small:[],span:[],sub:[],sup:[],strong:[],u:[],ul:[]},Kn=new Set(["background","cite","href","itemtype","longdesc","poster","src","xlink:href"]),Qn=/^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i,Xn=(t,e)=>{const i=t.nodeName.toLowerCase();return e.includes(i)?!Kn.has(i)||Boolean(Qn.test(t.nodeValue)):e.filter((t=>t instanceof RegExp)).some((t=>t.test(i)))},Un={allowList:Yn,content:{},extraClass:"",html:!1,sanitize:!0,sanitizeFn:null,template:"
"},Gn={allowList:"object",content:"object",extraClass:"(string|function)",html:"boolean",sanitize:"boolean",sanitizeFn:"(null|function)",template:"string"},Jn={entry:"(string|element|function|null)",selector:"(string|element)"};class Zn extends be{constructor(t){super(),this._config=this._getConfig(t)}static get Default(){return Un}static get DefaultType(){return Gn}static get NAME(){return"TemplateFactory"}getContent(){return Object.values(this._config.content).map((t=>this._resolvePossibleFunction(t))).filter(Boolean)}hasContent(){return this.getContent().length>0}changeContent(t){return this._checkContent(t),this._config.content={...this._config.content,...t},this}toHtml(){const t=document.createElement("div");t.innerHTML=this._maybeSanitize(this._config.template);for(const[e,i]of Object.entries(this._config.content))this._setContent(t,i,e);const e=t.children[0],i=this._resolvePossibleFunction(this._config.extraClass);return i&&e.classList.add(...i.split(" ")),e}_typeCheckConfig(t){super._typeCheckConfig(t),this._checkContent(t.content)}_checkContent(t){for(const[e,i]of Object.entries(t))super._typeCheckConfig({selector:e,entry:i},Jn)}_setContent(t,e,i){const n=we.findOne(i,t);n&&((e=this._resolvePossibleFunction(e))?Ft(e)?this._putElementInTemplate(Ht(e),n):this._config.html?n.innerHTML=this._maybeSanitize(e):n.textContent=e:n.remove())}_maybeSanitize(t){return this._config.sanitize?function(t,e,i){if(!t.length)return t;if(i&&"function"==typeof i)return i(t);const n=(new window.DOMParser).parseFromString(t,"text/html"),s=[].concat(...n.body.querySelectorAll("*"));for(const t of s){const i=t.nodeName.toLowerCase();if(!Object.keys(e).includes(i)){t.remove();continue}const n=[].concat(...t.attributes),s=[].concat(e["*"]||[],e[i]||[]);for(const e of n)Xn(e,s)||t.removeAttribute(e.nodeName)}return n.body.innerHTML}(t,this._config.allowList,this._config.sanitizeFn):t}_resolvePossibleFunction(t){return Xt(t,[this])}_putElementInTemplate(t,e){if(this._config.html)return e.innerHTML="",void e.append(t);e.textContent=t.textContent}}const ts=new Set(["sanitize","allowList","sanitizeFn"]),es="fade",is="show",ns=".modal",ss="hide.bs.modal",os="hover",rs="focus",as={AUTO:"auto",TOP:"top",RIGHT:Kt()?"left":"right",BOTTOM:"bottom",LEFT:Kt()?"right":"left"},ls={allowList:Yn,animation:!0,boundary:"clippingParents",container:!1,customClass:"",delay:0,fallbackPlacements:["top","right","bottom","left"],html:!1,offset:[0,6],placement:"top",popperConfig:null,sanitize:!0,sanitizeFn:null,selector:!1,template:'',title:"",trigger:"hover focus"},cs={allowList:"object",animation:"boolean",boundary:"(string|element)",container:"(string|element|boolean)",customClass:"(string|function)",delay:"(number|object)",fallbackPlacements:"array",html:"boolean",offset:"(array|string|function)",placement:"(string|function)",popperConfig:"(null|object|function)",sanitize:"boolean",sanitizeFn:"(null|function)",selector:"(string|boolean)",template:"string",title:"(string|element|function)",trigger:"string"};class hs extends ve{constructor(t,i){if(void 0===e)throw new TypeError("Bootstrap's tooltips require Popper (https://popper.js.org)");super(t,i),this._isEnabled=!0,this._timeout=0,this._isHovered=null,this._activeTrigger={},this._popper=null,this._templateFactory=null,this._newContent=null,this.tip=null,this._setListeners(),this._config.selector||this._fixTitle()}static get Default(){return ls}static get DefaultType(){return cs}static get NAME(){return"tooltip"}enable(){this._isEnabled=!0}disable(){this._isEnabled=!1}toggleEnabled(){this._isEnabled=!this._isEnabled}toggle(){this._isEnabled&&(this._activeTrigger.click=!this._activeTrigger.click,this._isShown()?this._leave():this._enter())}dispose(){clearTimeout(this._timeout),fe.off(this._element.closest(ns),ss,this._hideModalHandler),this._element.getAttribute("data-bs-original-title")&&this._element.setAttribute("title",this._element.getAttribute("data-bs-original-title")),this._disposePopper(),super.dispose()}show(){if("none"===this._element.style.display)throw new Error("Please use show on visible elements");if(!this._isWithContent()||!this._isEnabled)return;const t=fe.trigger(this._element,this.constructor.eventName("show")),e=(zt(this._element)||this._element.ownerDocument.documentElement).contains(this._element);if(t.defaultPrevented||!e)return;this._disposePopper();const i=this._getTipElement();this._element.setAttribute("aria-describedby",i.getAttribute("id"));const{container:n}=this._config;if(this._element.ownerDocument.documentElement.contains(this.tip)||(n.append(i),fe.trigger(this._element,this.constructor.eventName("inserted"))),this._popper=this._createPopper(i),i.classList.add(is),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.on(t,"mouseover",Rt);this._queueCallback((()=>{fe.trigger(this._element,this.constructor.eventName("shown")),!1===this._isHovered&&this._leave(),this._isHovered=!1}),this.tip,this._isAnimated())}hide(){if(this._isShown()&&!fe.trigger(this._element,this.constructor.eventName("hide")).defaultPrevented){if(this._getTipElement().classList.remove(is),"ontouchstart"in document.documentElement)for(const t of[].concat(...document.body.children))fe.off(t,"mouseover",Rt);this._activeTrigger.click=!1,this._activeTrigger[rs]=!1,this._activeTrigger[os]=!1,this._isHovered=null,this._queueCallback((()=>{this._isWithActiveTrigger()||(this._isHovered||this._disposePopper(),this._element.removeAttribute("aria-describedby"),fe.trigger(this._element,this.constructor.eventName("hidden")))}),this.tip,this._isAnimated())}}update(){this._popper&&this._popper.update()}_isWithContent(){return Boolean(this._getTitle())}_getTipElement(){return this.tip||(this.tip=this._createTipElement(this._newContent||this._getContentForTemplate())),this.tip}_createTipElement(t){const e=this._getTemplateFactory(t).toHtml();if(!e)return null;e.classList.remove(es,is),e.classList.add(`bs-${this.constructor.NAME}-auto`);const i=(t=>{do{t+=Math.floor(1e6*Math.random())}while(document.getElementById(t));return t})(this.constructor.NAME).toString();return e.setAttribute("id",i),this._isAnimated()&&e.classList.add(es),e}setContent(t){this._newContent=t,this._isShown()&&(this._disposePopper(),this.show())}_getTemplateFactory(t){return this._templateFactory?this._templateFactory.changeContent(t):this._templateFactory=new Zn({...this._config,content:t,extraClass:this._resolvePossibleFunction(this._config.customClass)}),this._templateFactory}_getContentForTemplate(){return{".tooltip-inner":this._getTitle()}}_getTitle(){return this._resolvePossibleFunction(this._config.title)||this._element.getAttribute("data-bs-original-title")}_initializeOnDelegatedTarget(t){return this.constructor.getOrCreateInstance(t.delegateTarget,this._getDelegateConfig())}_isAnimated(){return this._config.animation||this.tip&&this.tip.classList.contains(es)}_isShown(){return this.tip&&this.tip.classList.contains(is)}_createPopper(t){const e=Xt(this._config.placement,[this,t,this._element]),i=as[e.toUpperCase()];return Dt(this._element,t,this._getPopperConfig(i))}_getOffset(){const{offset:t}=this._config;return"string"==typeof t?t.split(",").map((t=>Number.parseInt(t,10))):"function"==typeof t?e=>t(e,this._element):t}_resolvePossibleFunction(t){return Xt(t,[this._element])}_getPopperConfig(t){const e={placement:t,modifiers:[{name:"flip",options:{fallbackPlacements:this._config.fallbackPlacements}},{name:"offset",options:{offset:this._getOffset()}},{name:"preventOverflow",options:{boundary:this._config.boundary}},{name:"arrow",options:{element:`.${this.constructor.NAME}-arrow`}},{name:"preSetPlacement",enabled:!0,phase:"beforeMain",fn:t=>{this._getTipElement().setAttribute("data-popper-placement",t.state.placement)}}]};return{...e,...Xt(this._config.popperConfig,[e])}}_setListeners(){const t=this._config.trigger.split(" ");for(const e of t)if("click"===e)fe.on(this._element,this.constructor.eventName("click"),this._config.selector,(t=>{this._initializeOnDelegatedTarget(t).toggle()}));else if("manual"!==e){const t=e===os?this.constructor.eventName("mouseenter"):this.constructor.eventName("focusin"),i=e===os?this.constructor.eventName("mouseleave"):this.constructor.eventName("focusout");fe.on(this._element,t,this._config.selector,(t=>{const e=this._initializeOnDelegatedTarget(t);e._activeTrigger["focusin"===t.type?rs:os]=!0,e._enter()})),fe.on(this._element,i,this._config.selector,(t=>{const e=this._initializeOnDelegatedTarget(t);e._activeTrigger["focusout"===t.type?rs:os]=e._element.contains(t.relatedTarget),e._leave()}))}this._hideModalHandler=()=>{this._element&&this.hide()},fe.on(this._element.closest(ns),ss,this._hideModalHandler)}_fixTitle(){const t=this._element.getAttribute("title");t&&(this._element.getAttribute("aria-label")||this._element.textContent.trim()||this._element.setAttribute("aria-label",t),this._element.setAttribute("data-bs-original-title",t),this._element.removeAttribute("title"))}_enter(){this._isShown()||this._isHovered?this._isHovered=!0:(this._isHovered=!0,this._setTimeout((()=>{this._isHovered&&this.show()}),this._config.delay.show))}_leave(){this._isWithActiveTrigger()||(this._isHovered=!1,this._setTimeout((()=>{this._isHovered||this.hide()}),this._config.delay.hide))}_setTimeout(t,e){clearTimeout(this._timeout),this._timeout=setTimeout(t,e)}_isWithActiveTrigger(){return Object.values(this._activeTrigger).includes(!0)}_getConfig(t){const e=_e.getDataAttributes(this._element);for(const t of Object.keys(e))ts.has(t)&&delete e[t];return t={...e,..."object"==typeof t&&t?t:{}},t=this._mergeConfigObj(t),t=this._configAfterMerge(t),this._typeCheckConfig(t),t}_configAfterMerge(t){return t.container=!1===t.container?document.body:Ht(t.container),"number"==typeof t.delay&&(t.delay={show:t.delay,hide:t.delay}),"number"==typeof t.title&&(t.title=t.title.toString()),"number"==typeof t.content&&(t.content=t.content.toString()),t}_getDelegateConfig(){const t={};for(const[e,i]of Object.entries(this._config))this.constructor.Default[e]!==i&&(t[e]=i);return t.selector=!1,t.trigger="manual",t}_disposePopper(){this._popper&&(this._popper.destroy(),this._popper=null),this.tip&&(this.tip.remove(),this.tip=null)}static jQueryInterface(t){return this.each((function(){const e=hs.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}}Qt(hs);const ds={...hs.Default,content:"",offset:[0,8],placement:"right",template:'',trigger:"click"},us={...hs.DefaultType,content:"(null|string|element|function)"};class fs extends hs{static get Default(){return ds}static get DefaultType(){return us}static get NAME(){return"popover"}_isWithContent(){return this._getTitle()||this._getContent()}_getContentForTemplate(){return{".popover-header":this._getTitle(),".popover-body":this._getContent()}}_getContent(){return this._resolvePossibleFunction(this._config.content)}static jQueryInterface(t){return this.each((function(){const e=fs.getOrCreateInstance(this,t);if("string"==typeof t){if(void 0===e[t])throw new TypeError(`No method named "${t}"`);e[t]()}}))}}Qt(fs);const ps=".bs.scrollspy",ms=`activate${ps}`,gs=`click${ps}`,_s=`load${ps}.data-api`,bs="active",vs="[href]",ys=".nav-link",ws=`${ys}, .nav-item > ${ys}, .list-group-item`,Es={offset:null,rootMargin:"0px 0px -25%",smoothScroll:!1,target:null,threshold:[.1,.5,1]},As={offset:"(number|null)",rootMargin:"string",smoothScroll:"boolean",target:"element",threshold:"array"};class Ts extends ve{constructor(t,e){super(t,e),this._targetLinks=new Map,this._observableSections=new 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000000000..10f979d07 --- /dev/null +++ b/_static/scripts/bootstrap.js.LICENSE.txt @@ -0,0 +1,5 @@ +/*! + * Bootstrap v5.3.2 (https://getbootstrap.com/) + * Copyright 2011-2023 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors) + * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE) + */ diff --git a/_static/scripts/bootstrap.js.map b/_static/scripts/bootstrap.js.map new file mode 100644 index 000000000..64e212b1e --- /dev/null +++ b/_static/scripts/bootstrap.js.map @@ -0,0 +1 @@ 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(element.nodeName || '').toLowerCase() : null;\n}","export default function getWindow(node) {\n if (node == null) {\n return window;\n }\n\n if (node.toString() !== '[object Window]') {\n var ownerDocument = node.ownerDocument;\n return ownerDocument ? ownerDocument.defaultView || window : window;\n }\n\n return node;\n}","import getWindow from \"./getWindow.js\";\n\nfunction isElement(node) {\n var OwnElement = getWindow(node).Element;\n return node instanceof OwnElement || node instanceof Element;\n}\n\nfunction isHTMLElement(node) {\n var OwnElement = getWindow(node).HTMLElement;\n return node instanceof OwnElement || node instanceof HTMLElement;\n}\n\nfunction isShadowRoot(node) {\n // IE 11 has no ShadowRoot\n if (typeof ShadowRoot === 'undefined') {\n return false;\n }\n\n var OwnElement = getWindow(node).ShadowRoot;\n return node instanceof OwnElement || node instanceof ShadowRoot;\n}\n\nexport { isElement, isHTMLElement, isShadowRoot };","import getNodeName from \"../dom-utils/getNodeName.js\";\nimport { isHTMLElement } from \"../dom-utils/instanceOf.js\"; // This modifier takes the styles prepared by the `computeStyles` modifier\n// and applies them to the HTMLElements such as popper and arrow\n\nfunction applyStyles(_ref) {\n var state = _ref.state;\n Object.keys(state.elements).forEach(function (name) {\n var style = state.styles[name] || {};\n var attributes = state.attributes[name] || {};\n var element = state.elements[name]; // arrow is optional + virtual elements\n\n if (!isHTMLElement(element) || !getNodeName(element)) {\n return;\n } // Flow doesn't support to extend this property, but it's the most\n // effective way to apply styles to an HTMLElement\n // $FlowFixMe[cannot-write]\n\n\n Object.assign(element.style, style);\n Object.keys(attributes).forEach(function (name) {\n var value = attributes[name];\n\n if (value === false) {\n element.removeAttribute(name);\n } else {\n element.setAttribute(name, value === true ? '' : value);\n }\n });\n });\n}\n\nfunction effect(_ref2) {\n var state = _ref2.state;\n var initialStyles = {\n popper: {\n position: state.options.strategy,\n left: '0',\n top: '0',\n margin: '0'\n },\n arrow: {\n position: 'absolute'\n },\n reference: {}\n };\n Object.assign(state.elements.popper.style, initialStyles.popper);\n state.styles = initialStyles;\n\n if (state.elements.arrow) {\n Object.assign(state.elements.arrow.style, initialStyles.arrow);\n }\n\n return function () {\n Object.keys(state.elements).forEach(function (name) {\n var element = state.elements[name];\n var attributes = state.attributes[name] || {};\n var styleProperties = Object.keys(state.styles.hasOwnProperty(name) ? state.styles[name] : initialStyles[name]); // Set all values to an empty string to unset them\n\n var style = styleProperties.reduce(function (style, property) {\n style[property] = '';\n return style;\n }, {}); // arrow is optional + virtual elements\n\n if (!isHTMLElement(element) || !getNodeName(element)) {\n return;\n }\n\n Object.assign(element.style, style);\n Object.keys(attributes).forEach(function (attribute) {\n element.removeAttribute(attribute);\n });\n });\n };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'applyStyles',\n enabled: true,\n phase: 'write',\n fn: applyStyles,\n effect: effect,\n requires: ['computeStyles']\n};","import { auto } from \"../enums.js\";\nexport default function getBasePlacement(placement) {\n return placement.split('-')[0];\n}","export var max = Math.max;\nexport var min = Math.min;\nexport var round = Math.round;","export default function getUAString() {\n var uaData = navigator.userAgentData;\n\n if (uaData != null && uaData.brands && Array.isArray(uaData.brands)) {\n return uaData.brands.map(function (item) {\n return item.brand + \"/\" + item.version;\n }).join(' ');\n }\n\n return navigator.userAgent;\n}","import getUAString from \"../utils/userAgent.js\";\nexport default function isLayoutViewport() {\n return !/^((?!chrome|android).)*safari/i.test(getUAString());\n}","import { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport { round } from \"../utils/math.js\";\nimport getWindow from \"./getWindow.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getBoundingClientRect(element, includeScale, isFixedStrategy) {\n if (includeScale === void 0) {\n includeScale = false;\n }\n\n if (isFixedStrategy === void 0) {\n isFixedStrategy = false;\n }\n\n var clientRect = element.getBoundingClientRect();\n var scaleX = 1;\n var scaleY = 1;\n\n if (includeScale && isHTMLElement(element)) {\n scaleX = element.offsetWidth > 0 ? round(clientRect.width) / element.offsetWidth || 1 : 1;\n scaleY = element.offsetHeight > 0 ? round(clientRect.height) / element.offsetHeight || 1 : 1;\n }\n\n var _ref = isElement(element) ? getWindow(element) : window,\n visualViewport = _ref.visualViewport;\n\n var addVisualOffsets = !isLayoutViewport() && isFixedStrategy;\n var x = (clientRect.left + (addVisualOffsets && visualViewport ? visualViewport.offsetLeft : 0)) / scaleX;\n var y = (clientRect.top + (addVisualOffsets && visualViewport ? visualViewport.offsetTop : 0)) / scaleY;\n var width = clientRect.width / scaleX;\n var height = clientRect.height / scaleY;\n return {\n width: width,\n height: height,\n top: y,\n right: x + width,\n bottom: y + height,\n left: x,\n x: x,\n y: y\n };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\"; // Returns the layout rect of an element relative to its offsetParent. Layout\n// means it doesn't take into account transforms.\n\nexport default function getLayoutRect(element) {\n var clientRect = getBoundingClientRect(element); // Use the clientRect sizes if it's not been transformed.\n // Fixes https://github.com/popperjs/popper-core/issues/1223\n\n var width = element.offsetWidth;\n var height = element.offsetHeight;\n\n if (Math.abs(clientRect.width - width) <= 1) {\n width = clientRect.width;\n }\n\n if (Math.abs(clientRect.height - height) <= 1) {\n height = clientRect.height;\n }\n\n return {\n x: element.offsetLeft,\n y: element.offsetTop,\n width: width,\n height: height\n };\n}","import { isShadowRoot } from \"./instanceOf.js\";\nexport default function contains(parent, child) {\n var rootNode = child.getRootNode && child.getRootNode(); // First, attempt with faster native method\n\n if (parent.contains(child)) {\n return true;\n } // then fallback to custom implementation with Shadow DOM support\n else if (rootNode && isShadowRoot(rootNode)) {\n var next = child;\n\n do {\n if (next && parent.isSameNode(next)) {\n return true;\n } // $FlowFixMe[prop-missing]: need a better way to handle this...\n\n\n next = next.parentNode || next.host;\n } while (next);\n } // Give up, the result is false\n\n\n return false;\n}","import getWindow from \"./getWindow.js\";\nexport default function getComputedStyle(element) {\n return getWindow(element).getComputedStyle(element);\n}","import getNodeName from \"./getNodeName.js\";\nexport default function isTableElement(element) {\n return ['table', 'td', 'th'].indexOf(getNodeName(element)) >= 0;\n}","import { isElement } from \"./instanceOf.js\";\nexport default function getDocumentElement(element) {\n // $FlowFixMe[incompatible-return]: assume body is always available\n return ((isElement(element) ? element.ownerDocument : // $FlowFixMe[prop-missing]\n element.document) || window.document).documentElement;\n}","import getNodeName from \"./getNodeName.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport { isShadowRoot } from \"./instanceOf.js\";\nexport default function getParentNode(element) {\n if (getNodeName(element) === 'html') {\n return element;\n }\n\n return (// this is a quicker (but less type safe) way to save quite some bytes from the bundle\n // $FlowFixMe[incompatible-return]\n // $FlowFixMe[prop-missing]\n element.assignedSlot || // step into the shadow DOM of the parent of a slotted node\n element.parentNode || ( // DOM Element detected\n isShadowRoot(element) ? element.host : null) || // ShadowRoot detected\n // $FlowFixMe[incompatible-call]: HTMLElement is a Node\n getDocumentElement(element) // fallback\n\n );\n}","import getWindow from \"./getWindow.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isHTMLElement, isShadowRoot } from \"./instanceOf.js\";\nimport isTableElement from \"./isTableElement.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getUAString from \"../utils/userAgent.js\";\n\nfunction getTrueOffsetParent(element) {\n if (!isHTMLElement(element) || // https://github.com/popperjs/popper-core/issues/837\n getComputedStyle(element).position === 'fixed') {\n return null;\n }\n\n return element.offsetParent;\n} // `.offsetParent` reports `null` for fixed elements, while absolute elements\n// return the containing block\n\n\nfunction getContainingBlock(element) {\n var isFirefox = /firefox/i.test(getUAString());\n var isIE = /Trident/i.test(getUAString());\n\n if (isIE && isHTMLElement(element)) {\n // In IE 9, 10 and 11 fixed elements containing block is always established by the viewport\n var elementCss = getComputedStyle(element);\n\n if (elementCss.position === 'fixed') {\n return null;\n }\n }\n\n var currentNode = getParentNode(element);\n\n if (isShadowRoot(currentNode)) {\n currentNode = currentNode.host;\n }\n\n while (isHTMLElement(currentNode) && ['html', 'body'].indexOf(getNodeName(currentNode)) < 0) {\n var css = getComputedStyle(currentNode); // This is non-exhaustive but covers the most common CSS properties that\n // create a containing block.\n // https://developer.mozilla.org/en-US/docs/Web/CSS/Containing_block#identifying_the_containing_block\n\n if (css.transform !== 'none' || css.perspective !== 'none' || css.contain === 'paint' || ['transform', 'perspective'].indexOf(css.willChange) !== -1 || isFirefox && css.willChange === 'filter' || isFirefox && css.filter && css.filter !== 'none') {\n return currentNode;\n } else {\n currentNode = currentNode.parentNode;\n }\n }\n\n return null;\n} // Gets the closest ancestor positioned element. Handles some edge cases,\n// such as table ancestors and cross browser bugs.\n\n\nexport default function getOffsetParent(element) {\n var window = getWindow(element);\n var offsetParent = getTrueOffsetParent(element);\n\n while (offsetParent && isTableElement(offsetParent) && getComputedStyle(offsetParent).position === 'static') {\n offsetParent = getTrueOffsetParent(offsetParent);\n }\n\n if (offsetParent && (getNodeName(offsetParent) === 'html' || getNodeName(offsetParent) === 'body' && getComputedStyle(offsetParent).position === 'static')) {\n return window;\n }\n\n return offsetParent || getContainingBlock(element) || window;\n}","export default function getMainAxisFromPlacement(placement) {\n return ['top', 'bottom'].indexOf(placement) >= 0 ? 'x' : 'y';\n}","import { max as mathMax, min as mathMin } from \"./math.js\";\nexport function within(min, value, max) {\n return mathMax(min, mathMin(value, max));\n}\nexport function withinMaxClamp(min, value, max) {\n var v = within(min, value, max);\n return v > max ? max : v;\n}","import getFreshSideObject from \"./getFreshSideObject.js\";\nexport default function mergePaddingObject(paddingObject) {\n return Object.assign({}, getFreshSideObject(), paddingObject);\n}","export default function getFreshSideObject() {\n return {\n top: 0,\n right: 0,\n bottom: 0,\n left: 0\n };\n}","export default function expandToHashMap(value, keys) {\n return keys.reduce(function (hashMap, key) {\n hashMap[key] = value;\n return hashMap;\n }, {});\n}","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport contains from \"../dom-utils/contains.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport { within } from \"../utils/within.js\";\nimport mergePaddingObject from \"../utils/mergePaddingObject.js\";\nimport expandToHashMap from \"../utils/expandToHashMap.js\";\nimport { left, right, basePlacements, top, bottom } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar toPaddingObject = function toPaddingObject(padding, state) {\n padding = typeof padding === 'function' ? padding(Object.assign({}, state.rects, {\n placement: state.placement\n })) : padding;\n return mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n};\n\nfunction arrow(_ref) {\n var _state$modifiersData$;\n\n var state = _ref.state,\n name = _ref.name,\n options = _ref.options;\n var arrowElement = state.elements.arrow;\n var popperOffsets = state.modifiersData.popperOffsets;\n var basePlacement = getBasePlacement(state.placement);\n var axis = getMainAxisFromPlacement(basePlacement);\n var isVertical = [left, right].indexOf(basePlacement) >= 0;\n var len = isVertical ? 'height' : 'width';\n\n if (!arrowElement || !popperOffsets) {\n return;\n }\n\n var paddingObject = toPaddingObject(options.padding, state);\n var arrowRect = getLayoutRect(arrowElement);\n var minProp = axis === 'y' ? top : left;\n var maxProp = axis === 'y' ? bottom : right;\n var endDiff = state.rects.reference[len] + state.rects.reference[axis] - popperOffsets[axis] - state.rects.popper[len];\n var startDiff = popperOffsets[axis] - state.rects.reference[axis];\n var arrowOffsetParent = getOffsetParent(arrowElement);\n var clientSize = arrowOffsetParent ? axis === 'y' ? arrowOffsetParent.clientHeight || 0 : arrowOffsetParent.clientWidth || 0 : 0;\n var centerToReference = endDiff / 2 - startDiff / 2; // Make sure the arrow doesn't overflow the popper if the center point is\n // outside of the popper bounds\n\n var min = paddingObject[minProp];\n var max = clientSize - arrowRect[len] - paddingObject[maxProp];\n var center = clientSize / 2 - arrowRect[len] / 2 + centerToReference;\n var offset = within(min, center, max); // Prevents breaking syntax highlighting...\n\n var axisProp = axis;\n state.modifiersData[name] = (_state$modifiersData$ = {}, _state$modifiersData$[axisProp] = offset, _state$modifiersData$.centerOffset = offset - center, _state$modifiersData$);\n}\n\nfunction effect(_ref2) {\n var state = _ref2.state,\n options = _ref2.options;\n var _options$element = options.element,\n arrowElement = _options$element === void 0 ? '[data-popper-arrow]' : _options$element;\n\n if (arrowElement == null) {\n return;\n } // CSS selector\n\n\n if (typeof arrowElement === 'string') {\n arrowElement = state.elements.popper.querySelector(arrowElement);\n\n if (!arrowElement) {\n return;\n }\n }\n\n if (!contains(state.elements.popper, arrowElement)) {\n return;\n }\n\n state.elements.arrow = arrowElement;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'arrow',\n enabled: true,\n phase: 'main',\n fn: arrow,\n effect: effect,\n requires: ['popperOffsets'],\n requiresIfExists: ['preventOverflow']\n};","export default function getVariation(placement) {\n return placement.split('-')[1];\n}","import { top, left, right, bottom, end } from \"../enums.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport getWindow from \"../dom-utils/getWindow.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getComputedStyle from \"../dom-utils/getComputedStyle.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport { round } from \"../utils/math.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar unsetSides = {\n top: 'auto',\n right: 'auto',\n bottom: 'auto',\n left: 'auto'\n}; // Round the offsets to the nearest suitable subpixel based on the DPR.\n// Zooming can change the DPR, but it seems to report a value that will\n// cleanly divide the values into the appropriate subpixels.\n\nfunction roundOffsetsByDPR(_ref, win) {\n var x = _ref.x,\n y = _ref.y;\n var dpr = win.devicePixelRatio || 1;\n return {\n x: round(x * dpr) / dpr || 0,\n y: round(y * dpr) / dpr || 0\n };\n}\n\nexport function mapToStyles(_ref2) {\n var _Object$assign2;\n\n var popper = _ref2.popper,\n popperRect = _ref2.popperRect,\n placement = _ref2.placement,\n variation = _ref2.variation,\n offsets = _ref2.offsets,\n position = _ref2.position,\n gpuAcceleration = _ref2.gpuAcceleration,\n adaptive = _ref2.adaptive,\n roundOffsets = _ref2.roundOffsets,\n isFixed = _ref2.isFixed;\n var _offsets$x = offsets.x,\n x = _offsets$x === void 0 ? 0 : _offsets$x,\n _offsets$y = offsets.y,\n y = _offsets$y === void 0 ? 0 : _offsets$y;\n\n var _ref3 = typeof roundOffsets === 'function' ? roundOffsets({\n x: x,\n y: y\n }) : {\n x: x,\n y: y\n };\n\n x = _ref3.x;\n y = _ref3.y;\n var hasX = offsets.hasOwnProperty('x');\n var hasY = offsets.hasOwnProperty('y');\n var sideX = left;\n var sideY = top;\n var win = window;\n\n if (adaptive) {\n var offsetParent = getOffsetParent(popper);\n var heightProp = 'clientHeight';\n var widthProp = 'clientWidth';\n\n if (offsetParent === getWindow(popper)) {\n offsetParent = getDocumentElement(popper);\n\n if (getComputedStyle(offsetParent).position !== 'static' && position === 'absolute') {\n heightProp = 'scrollHeight';\n widthProp = 'scrollWidth';\n }\n } // $FlowFixMe[incompatible-cast]: force type refinement, we compare offsetParent with window above, but Flow doesn't detect it\n\n\n offsetParent = offsetParent;\n\n if (placement === top || (placement === left || placement === right) && variation === end) {\n sideY = bottom;\n var offsetY = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.height : // $FlowFixMe[prop-missing]\n offsetParent[heightProp];\n y -= offsetY - popperRect.height;\n y *= gpuAcceleration ? 1 : -1;\n }\n\n if (placement === left || (placement === top || placement === bottom) && variation === end) {\n sideX = right;\n var offsetX = isFixed && offsetParent === win && win.visualViewport ? win.visualViewport.width : // $FlowFixMe[prop-missing]\n offsetParent[widthProp];\n x -= offsetX - popperRect.width;\n x *= gpuAcceleration ? 1 : -1;\n }\n }\n\n var commonStyles = Object.assign({\n position: position\n }, adaptive && unsetSides);\n\n var _ref4 = roundOffsets === true ? roundOffsetsByDPR({\n x: x,\n y: y\n }, getWindow(popper)) : {\n x: x,\n y: y\n };\n\n x = _ref4.x;\n y = _ref4.y;\n\n if (gpuAcceleration) {\n var _Object$assign;\n\n return Object.assign({}, commonStyles, (_Object$assign = {}, _Object$assign[sideY] = hasY ? '0' : '', _Object$assign[sideX] = hasX ? '0' : '', _Object$assign.transform = (win.devicePixelRatio || 1) <= 1 ? \"translate(\" + x + \"px, \" + y + \"px)\" : \"translate3d(\" + x + \"px, \" + y + \"px, 0)\", _Object$assign));\n }\n\n return Object.assign({}, commonStyles, (_Object$assign2 = {}, _Object$assign2[sideY] = hasY ? y + \"px\" : '', _Object$assign2[sideX] = hasX ? x + \"px\" : '', _Object$assign2.transform = '', _Object$assign2));\n}\n\nfunction computeStyles(_ref5) {\n var state = _ref5.state,\n options = _ref5.options;\n var _options$gpuAccelerat = options.gpuAcceleration,\n gpuAcceleration = _options$gpuAccelerat === void 0 ? true : _options$gpuAccelerat,\n _options$adaptive = options.adaptive,\n adaptive = _options$adaptive === void 0 ? true : _options$adaptive,\n _options$roundOffsets = options.roundOffsets,\n roundOffsets = _options$roundOffsets === void 0 ? true : _options$roundOffsets;\n var commonStyles = {\n placement: getBasePlacement(state.placement),\n variation: getVariation(state.placement),\n popper: state.elements.popper,\n popperRect: state.rects.popper,\n gpuAcceleration: gpuAcceleration,\n isFixed: state.options.strategy === 'fixed'\n };\n\n if (state.modifiersData.popperOffsets != null) {\n state.styles.popper = Object.assign({}, state.styles.popper, mapToStyles(Object.assign({}, commonStyles, {\n offsets: state.modifiersData.popperOffsets,\n position: state.options.strategy,\n adaptive: adaptive,\n roundOffsets: roundOffsets\n })));\n }\n\n if (state.modifiersData.arrow != null) {\n state.styles.arrow = Object.assign({}, state.styles.arrow, mapToStyles(Object.assign({}, commonStyles, {\n offsets: state.modifiersData.arrow,\n position: 'absolute',\n adaptive: false,\n roundOffsets: roundOffsets\n })));\n }\n\n state.attributes.popper = Object.assign({}, state.attributes.popper, {\n 'data-popper-placement': state.placement\n });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'computeStyles',\n enabled: true,\n phase: 'beforeWrite',\n fn: computeStyles,\n data: {}\n};","import getWindow from \"../dom-utils/getWindow.js\"; // eslint-disable-next-line import/no-unused-modules\n\nvar passive = {\n passive: true\n};\n\nfunction effect(_ref) {\n var state = _ref.state,\n instance = _ref.instance,\n options = _ref.options;\n var _options$scroll = options.scroll,\n scroll = _options$scroll === void 0 ? true : _options$scroll,\n _options$resize = options.resize,\n resize = _options$resize === void 0 ? true : _options$resize;\n var window = getWindow(state.elements.popper);\n var scrollParents = [].concat(state.scrollParents.reference, state.scrollParents.popper);\n\n if (scroll) {\n scrollParents.forEach(function (scrollParent) {\n scrollParent.addEventListener('scroll', instance.update, passive);\n });\n }\n\n if (resize) {\n window.addEventListener('resize', instance.update, passive);\n }\n\n return function () {\n if (scroll) {\n scrollParents.forEach(function (scrollParent) {\n scrollParent.removeEventListener('scroll', instance.update, passive);\n });\n }\n\n if (resize) {\n window.removeEventListener('resize', instance.update, passive);\n }\n };\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'eventListeners',\n enabled: true,\n phase: 'write',\n fn: function fn() {},\n effect: effect,\n data: {}\n};","var hash = {\n left: 'right',\n right: 'left',\n bottom: 'top',\n top: 'bottom'\n};\nexport default function getOppositePlacement(placement) {\n return placement.replace(/left|right|bottom|top/g, function (matched) {\n return hash[matched];\n });\n}","var hash = {\n start: 'end',\n end: 'start'\n};\nexport default function getOppositeVariationPlacement(placement) {\n return placement.replace(/start|end/g, function (matched) {\n return hash[matched];\n });\n}","import getWindow from \"./getWindow.js\";\nexport default function getWindowScroll(node) {\n var win = getWindow(node);\n var scrollLeft = win.pageXOffset;\n var scrollTop = win.pageYOffset;\n return {\n scrollLeft: scrollLeft,\n scrollTop: scrollTop\n };\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nexport default function getWindowScrollBarX(element) {\n // If has a CSS width greater than the viewport, then this will be\n // incorrect for RTL.\n // Popper 1 is broken in this case and never had a bug report so let's assume\n // it's not an issue. I don't think anyone ever specifies width on \n // anyway.\n // Browsers where the left scrollbar doesn't cause an issue report `0` for\n // this (e.g. Edge 2019, IE11, Safari)\n return getBoundingClientRect(getDocumentElement(element)).left + getWindowScroll(element).scrollLeft;\n}","import getComputedStyle from \"./getComputedStyle.js\";\nexport default function isScrollParent(element) {\n // Firefox wants us to check `-x` and `-y` variations as well\n var _getComputedStyle = getComputedStyle(element),\n overflow = _getComputedStyle.overflow,\n overflowX = _getComputedStyle.overflowX,\n overflowY = _getComputedStyle.overflowY;\n\n return /auto|scroll|overlay|hidden/.test(overflow + overflowY + overflowX);\n}","import getParentNode from \"./getParentNode.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nexport default function getScrollParent(node) {\n if (['html', 'body', '#document'].indexOf(getNodeName(node)) >= 0) {\n // $FlowFixMe[incompatible-return]: assume body is always available\n return node.ownerDocument.body;\n }\n\n if (isHTMLElement(node) && isScrollParent(node)) {\n return node;\n }\n\n return getScrollParent(getParentNode(node));\n}","import getScrollParent from \"./getScrollParent.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport getWindow from \"./getWindow.js\";\nimport isScrollParent from \"./isScrollParent.js\";\n/*\ngiven a DOM element, return the list of all scroll parents, up the list of ancesors\nuntil we get to the top window object. This list is what we attach scroll listeners\nto, because if any of these parent elements scroll, we'll need to re-calculate the\nreference element's position.\n*/\n\nexport default function listScrollParents(element, list) {\n var _element$ownerDocumen;\n\n if (list === void 0) {\n list = [];\n }\n\n var scrollParent = getScrollParent(element);\n var isBody = scrollParent === ((_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body);\n var win = getWindow(scrollParent);\n var target = isBody ? [win].concat(win.visualViewport || [], isScrollParent(scrollParent) ? scrollParent : []) : scrollParent;\n var updatedList = list.concat(target);\n return isBody ? updatedList : // $FlowFixMe[incompatible-call]: isBody tells us target will be an HTMLElement here\n updatedList.concat(listScrollParents(getParentNode(target)));\n}","export default function rectToClientRect(rect) {\n return Object.assign({}, rect, {\n left: rect.x,\n top: rect.y,\n right: rect.x + rect.width,\n bottom: rect.y + rect.height\n });\n}","import { viewport } from \"../enums.js\";\nimport getViewportRect from \"./getViewportRect.js\";\nimport getDocumentRect from \"./getDocumentRect.js\";\nimport listScrollParents from \"./listScrollParents.js\";\nimport getOffsetParent from \"./getOffsetParent.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport { isElement, isHTMLElement } from \"./instanceOf.js\";\nimport getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getParentNode from \"./getParentNode.js\";\nimport contains from \"./contains.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport rectToClientRect from \"../utils/rectToClientRect.js\";\nimport { max, min } from \"../utils/math.js\";\n\nfunction getInnerBoundingClientRect(element, strategy) {\n var rect = getBoundingClientRect(element, false, strategy === 'fixed');\n rect.top = rect.top + element.clientTop;\n rect.left = rect.left + element.clientLeft;\n rect.bottom = rect.top + element.clientHeight;\n rect.right = rect.left + element.clientWidth;\n rect.width = element.clientWidth;\n rect.height = element.clientHeight;\n rect.x = rect.left;\n rect.y = rect.top;\n return rect;\n}\n\nfunction getClientRectFromMixedType(element, clippingParent, strategy) {\n return clippingParent === viewport ? rectToClientRect(getViewportRect(element, strategy)) : isElement(clippingParent) ? getInnerBoundingClientRect(clippingParent, strategy) : rectToClientRect(getDocumentRect(getDocumentElement(element)));\n} // A \"clipping parent\" is an overflowable container with the characteristic of\n// clipping (or hiding) overflowing elements with a position different from\n// `initial`\n\n\nfunction getClippingParents(element) {\n var clippingParents = listScrollParents(getParentNode(element));\n var canEscapeClipping = ['absolute', 'fixed'].indexOf(getComputedStyle(element).position) >= 0;\n var clipperElement = canEscapeClipping && isHTMLElement(element) ? getOffsetParent(element) : element;\n\n if (!isElement(clipperElement)) {\n return [];\n } // $FlowFixMe[incompatible-return]: https://github.com/facebook/flow/issues/1414\n\n\n return clippingParents.filter(function (clippingParent) {\n return isElement(clippingParent) && contains(clippingParent, clipperElement) && getNodeName(clippingParent) !== 'body';\n });\n} // Gets the maximum area that the element is visible in due to any number of\n// clipping parents\n\n\nexport default function getClippingRect(element, boundary, rootBoundary, strategy) {\n var mainClippingParents = boundary === 'clippingParents' ? getClippingParents(element) : [].concat(boundary);\n var clippingParents = [].concat(mainClippingParents, [rootBoundary]);\n var firstClippingParent = clippingParents[0];\n var clippingRect = clippingParents.reduce(function (accRect, clippingParent) {\n var rect = getClientRectFromMixedType(element, clippingParent, strategy);\n accRect.top = max(rect.top, accRect.top);\n accRect.right = min(rect.right, accRect.right);\n accRect.bottom = min(rect.bottom, accRect.bottom);\n accRect.left = max(rect.left, accRect.left);\n return accRect;\n }, getClientRectFromMixedType(element, firstClippingParent, strategy));\n clippingRect.width = clippingRect.right - clippingRect.left;\n clippingRect.height = clippingRect.bottom - clippingRect.top;\n clippingRect.x = clippingRect.left;\n clippingRect.y = clippingRect.top;\n return clippingRect;\n}","import getWindow from \"./getWindow.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport isLayoutViewport from \"./isLayoutViewport.js\";\nexport default function getViewportRect(element, strategy) {\n var win = getWindow(element);\n var html = getDocumentElement(element);\n var visualViewport = win.visualViewport;\n var width = html.clientWidth;\n var height = html.clientHeight;\n var x = 0;\n var y = 0;\n\n if (visualViewport) {\n width = visualViewport.width;\n height = visualViewport.height;\n var layoutViewport = isLayoutViewport();\n\n if (layoutViewport || !layoutViewport && strategy === 'fixed') {\n x = visualViewport.offsetLeft;\n y = visualViewport.offsetTop;\n }\n }\n\n return {\n width: width,\n height: height,\n x: x + getWindowScrollBarX(element),\n y: y\n };\n}","import getDocumentElement from \"./getDocumentElement.js\";\nimport getComputedStyle from \"./getComputedStyle.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getWindowScroll from \"./getWindowScroll.js\";\nimport { max } from \"../utils/math.js\"; // Gets the entire size of the scrollable document area, even extending outside\n// of the `` and `` rect bounds if horizontally scrollable\n\nexport default function getDocumentRect(element) {\n var _element$ownerDocumen;\n\n var html = getDocumentElement(element);\n var winScroll = getWindowScroll(element);\n var body = (_element$ownerDocumen = element.ownerDocument) == null ? void 0 : _element$ownerDocumen.body;\n var width = max(html.scrollWidth, html.clientWidth, body ? body.scrollWidth : 0, body ? body.clientWidth : 0);\n var height = max(html.scrollHeight, html.clientHeight, body ? body.scrollHeight : 0, body ? body.clientHeight : 0);\n var x = -winScroll.scrollLeft + getWindowScrollBarX(element);\n var y = -winScroll.scrollTop;\n\n if (getComputedStyle(body || html).direction === 'rtl') {\n x += max(html.clientWidth, body ? body.clientWidth : 0) - width;\n }\n\n return {\n width: width,\n height: height,\n x: x,\n y: y\n };\n}","import getBasePlacement from \"./getBasePlacement.js\";\nimport getVariation from \"./getVariation.js\";\nimport getMainAxisFromPlacement from \"./getMainAxisFromPlacement.js\";\nimport { top, right, bottom, left, start, end } from \"../enums.js\";\nexport default function computeOffsets(_ref) {\n var reference = _ref.reference,\n element = _ref.element,\n placement = _ref.placement;\n var basePlacement = placement ? getBasePlacement(placement) : null;\n var variation = placement ? getVariation(placement) : null;\n var commonX = reference.x + reference.width / 2 - element.width / 2;\n var commonY = reference.y + reference.height / 2 - element.height / 2;\n var offsets;\n\n switch (basePlacement) {\n case top:\n offsets = {\n x: commonX,\n y: reference.y - element.height\n };\n break;\n\n case bottom:\n offsets = {\n x: commonX,\n y: reference.y + reference.height\n };\n break;\n\n case right:\n offsets = {\n x: reference.x + reference.width,\n y: commonY\n };\n break;\n\n case left:\n offsets = {\n x: reference.x - element.width,\n y: commonY\n };\n break;\n\n default:\n offsets = {\n x: reference.x,\n y: reference.y\n };\n }\n\n var mainAxis = basePlacement ? getMainAxisFromPlacement(basePlacement) : null;\n\n if (mainAxis != null) {\n var len = mainAxis === 'y' ? 'height' : 'width';\n\n switch (variation) {\n case start:\n offsets[mainAxis] = offsets[mainAxis] - (reference[len] / 2 - element[len] / 2);\n break;\n\n case end:\n offsets[mainAxis] = offsets[mainAxis] + (reference[len] / 2 - element[len] / 2);\n break;\n\n default:\n }\n }\n\n return offsets;\n}","import getClippingRect from \"../dom-utils/getClippingRect.js\";\nimport getDocumentElement from \"../dom-utils/getDocumentElement.js\";\nimport getBoundingClientRect from \"../dom-utils/getBoundingClientRect.js\";\nimport computeOffsets from \"./computeOffsets.js\";\nimport rectToClientRect from \"./rectToClientRect.js\";\nimport { clippingParents, reference, popper, bottom, top, right, basePlacements, viewport } from \"../enums.js\";\nimport { isElement } from \"../dom-utils/instanceOf.js\";\nimport mergePaddingObject from \"./mergePaddingObject.js\";\nimport expandToHashMap from \"./expandToHashMap.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport default function detectOverflow(state, options) {\n if (options === void 0) {\n options = {};\n }\n\n var _options = options,\n _options$placement = _options.placement,\n placement = _options$placement === void 0 ? state.placement : _options$placement,\n _options$strategy = _options.strategy,\n strategy = _options$strategy === void 0 ? state.strategy : _options$strategy,\n _options$boundary = _options.boundary,\n boundary = _options$boundary === void 0 ? clippingParents : _options$boundary,\n _options$rootBoundary = _options.rootBoundary,\n rootBoundary = _options$rootBoundary === void 0 ? viewport : _options$rootBoundary,\n _options$elementConte = _options.elementContext,\n elementContext = _options$elementConte === void 0 ? popper : _options$elementConte,\n _options$altBoundary = _options.altBoundary,\n altBoundary = _options$altBoundary === void 0 ? false : _options$altBoundary,\n _options$padding = _options.padding,\n padding = _options$padding === void 0 ? 0 : _options$padding;\n var paddingObject = mergePaddingObject(typeof padding !== 'number' ? padding : expandToHashMap(padding, basePlacements));\n var altContext = elementContext === popper ? reference : popper;\n var popperRect = state.rects.popper;\n var element = state.elements[altBoundary ? altContext : elementContext];\n var clippingClientRect = getClippingRect(isElement(element) ? element : element.contextElement || getDocumentElement(state.elements.popper), boundary, rootBoundary, strategy);\n var referenceClientRect = getBoundingClientRect(state.elements.reference);\n var popperOffsets = computeOffsets({\n reference: referenceClientRect,\n element: popperRect,\n strategy: 'absolute',\n placement: placement\n });\n var popperClientRect = rectToClientRect(Object.assign({}, popperRect, popperOffsets));\n var elementClientRect = elementContext === popper ? popperClientRect : referenceClientRect; // positive = overflowing the clipping rect\n // 0 or negative = within the clipping rect\n\n var overflowOffsets = {\n top: clippingClientRect.top - elementClientRect.top + paddingObject.top,\n bottom: elementClientRect.bottom - clippingClientRect.bottom + paddingObject.bottom,\n left: clippingClientRect.left - elementClientRect.left + paddingObject.left,\n right: elementClientRect.right - clippingClientRect.right + paddingObject.right\n };\n var offsetData = state.modifiersData.offset; // Offsets can be applied only to the popper element\n\n if (elementContext === popper && offsetData) {\n var offset = offsetData[placement];\n Object.keys(overflowOffsets).forEach(function (key) {\n var multiply = [right, bottom].indexOf(key) >= 0 ? 1 : -1;\n var axis = [top, bottom].indexOf(key) >= 0 ? 'y' : 'x';\n overflowOffsets[key] += offset[axis] * multiply;\n });\n }\n\n return overflowOffsets;\n}","import getOppositePlacement from \"../utils/getOppositePlacement.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getOppositeVariationPlacement from \"../utils/getOppositeVariationPlacement.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport computeAutoPlacement from \"../utils/computeAutoPlacement.js\";\nimport { bottom, top, start, right, left, auto } from \"../enums.js\";\nimport getVariation from \"../utils/getVariation.js\"; // eslint-disable-next-line import/no-unused-modules\n\nfunction getExpandedFallbackPlacements(placement) {\n if (getBasePlacement(placement) === auto) {\n return [];\n }\n\n var oppositePlacement = getOppositePlacement(placement);\n return [getOppositeVariationPlacement(placement), oppositePlacement, getOppositeVariationPlacement(oppositePlacement)];\n}\n\nfunction flip(_ref) {\n var state = _ref.state,\n options = _ref.options,\n name = _ref.name;\n\n if (state.modifiersData[name]._skip) {\n return;\n }\n\n var _options$mainAxis = options.mainAxis,\n checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n _options$altAxis = options.altAxis,\n checkAltAxis = _options$altAxis === void 0 ? true : _options$altAxis,\n specifiedFallbackPlacements = options.fallbackPlacements,\n padding = options.padding,\n boundary = options.boundary,\n rootBoundary = options.rootBoundary,\n altBoundary = options.altBoundary,\n _options$flipVariatio = options.flipVariations,\n flipVariations = _options$flipVariatio === void 0 ? true : _options$flipVariatio,\n allowedAutoPlacements = options.allowedAutoPlacements;\n var preferredPlacement = state.options.placement;\n var basePlacement = getBasePlacement(preferredPlacement);\n var isBasePlacement = basePlacement === preferredPlacement;\n var fallbackPlacements = specifiedFallbackPlacements || (isBasePlacement || !flipVariations ? [getOppositePlacement(preferredPlacement)] : getExpandedFallbackPlacements(preferredPlacement));\n var placements = [preferredPlacement].concat(fallbackPlacements).reduce(function (acc, placement) {\n return acc.concat(getBasePlacement(placement) === auto ? computeAutoPlacement(state, {\n placement: placement,\n boundary: boundary,\n rootBoundary: rootBoundary,\n padding: padding,\n flipVariations: flipVariations,\n allowedAutoPlacements: allowedAutoPlacements\n }) : placement);\n }, []);\n var referenceRect = state.rects.reference;\n var popperRect = state.rects.popper;\n var checksMap = new Map();\n var makeFallbackChecks = true;\n var firstFittingPlacement = placements[0];\n\n for (var i = 0; i < placements.length; i++) {\n var placement = placements[i];\n\n var _basePlacement = getBasePlacement(placement);\n\n var isStartVariation = getVariation(placement) === start;\n var isVertical = [top, bottom].indexOf(_basePlacement) >= 0;\n var len = isVertical ? 'width' : 'height';\n var overflow = detectOverflow(state, {\n placement: placement,\n boundary: boundary,\n rootBoundary: rootBoundary,\n altBoundary: altBoundary,\n padding: padding\n });\n var mainVariationSide = isVertical ? isStartVariation ? right : left : isStartVariation ? bottom : top;\n\n if (referenceRect[len] > popperRect[len]) {\n mainVariationSide = getOppositePlacement(mainVariationSide);\n }\n\n var altVariationSide = getOppositePlacement(mainVariationSide);\n var checks = [];\n\n if (checkMainAxis) {\n checks.push(overflow[_basePlacement] <= 0);\n }\n\n if (checkAltAxis) {\n checks.push(overflow[mainVariationSide] <= 0, overflow[altVariationSide] <= 0);\n }\n\n if (checks.every(function (check) {\n return check;\n })) {\n firstFittingPlacement = placement;\n makeFallbackChecks = false;\n break;\n }\n\n checksMap.set(placement, checks);\n }\n\n if (makeFallbackChecks) {\n // `2` may be desired in some cases – research later\n var numberOfChecks = flipVariations ? 3 : 1;\n\n var _loop = function _loop(_i) {\n var fittingPlacement = placements.find(function (placement) {\n var checks = checksMap.get(placement);\n\n if (checks) {\n return checks.slice(0, _i).every(function (check) {\n return check;\n });\n }\n });\n\n if (fittingPlacement) {\n firstFittingPlacement = fittingPlacement;\n return \"break\";\n }\n };\n\n for (var _i = numberOfChecks; _i > 0; _i--) {\n var _ret = _loop(_i);\n\n if (_ret === \"break\") break;\n }\n }\n\n if (state.placement !== firstFittingPlacement) {\n state.modifiersData[name]._skip = true;\n state.placement = firstFittingPlacement;\n state.reset = true;\n }\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'flip',\n enabled: true,\n phase: 'main',\n fn: flip,\n requiresIfExists: ['offset'],\n data: {\n _skip: false\n }\n};","import getVariation from \"./getVariation.js\";\nimport { variationPlacements, basePlacements, placements as allPlacements } from \"../enums.js\";\nimport detectOverflow from \"./detectOverflow.js\";\nimport getBasePlacement from \"./getBasePlacement.js\";\nexport default function computeAutoPlacement(state, options) {\n if (options === void 0) {\n options = {};\n }\n\n var _options = options,\n placement = _options.placement,\n boundary = _options.boundary,\n rootBoundary = _options.rootBoundary,\n padding = _options.padding,\n flipVariations = _options.flipVariations,\n _options$allowedAutoP = _options.allowedAutoPlacements,\n allowedAutoPlacements = _options$allowedAutoP === void 0 ? allPlacements : _options$allowedAutoP;\n var variation = getVariation(placement);\n var placements = variation ? flipVariations ? variationPlacements : variationPlacements.filter(function (placement) {\n return getVariation(placement) === variation;\n }) : basePlacements;\n var allowedPlacements = placements.filter(function (placement) {\n return allowedAutoPlacements.indexOf(placement) >= 0;\n });\n\n if (allowedPlacements.length === 0) {\n allowedPlacements = placements;\n } // $FlowFixMe[incompatible-type]: Flow seems to have problems with two array unions...\n\n\n var overflows = allowedPlacements.reduce(function (acc, placement) {\n acc[placement] = detectOverflow(state, {\n placement: placement,\n boundary: boundary,\n rootBoundary: rootBoundary,\n padding: padding\n })[getBasePlacement(placement)];\n return acc;\n }, {});\n return Object.keys(overflows).sort(function (a, b) {\n return overflows[a] - overflows[b];\n });\n}","import { top, bottom, left, right } from \"../enums.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\n\nfunction getSideOffsets(overflow, rect, preventedOffsets) {\n if (preventedOffsets === void 0) {\n preventedOffsets = {\n x: 0,\n y: 0\n };\n }\n\n return {\n top: overflow.top - rect.height - preventedOffsets.y,\n right: overflow.right - rect.width + preventedOffsets.x,\n bottom: overflow.bottom - rect.height + preventedOffsets.y,\n left: overflow.left - rect.width - preventedOffsets.x\n };\n}\n\nfunction isAnySideFullyClipped(overflow) {\n return [top, right, bottom, left].some(function (side) {\n return overflow[side] >= 0;\n });\n}\n\nfunction hide(_ref) {\n var state = _ref.state,\n name = _ref.name;\n var referenceRect = state.rects.reference;\n var popperRect = state.rects.popper;\n var preventedOffsets = state.modifiersData.preventOverflow;\n var referenceOverflow = detectOverflow(state, {\n elementContext: 'reference'\n });\n var popperAltOverflow = detectOverflow(state, {\n altBoundary: true\n });\n var referenceClippingOffsets = getSideOffsets(referenceOverflow, referenceRect);\n var popperEscapeOffsets = getSideOffsets(popperAltOverflow, popperRect, preventedOffsets);\n var isReferenceHidden = isAnySideFullyClipped(referenceClippingOffsets);\n var hasPopperEscaped = isAnySideFullyClipped(popperEscapeOffsets);\n state.modifiersData[name] = {\n referenceClippingOffsets: referenceClippingOffsets,\n popperEscapeOffsets: popperEscapeOffsets,\n isReferenceHidden: isReferenceHidden,\n hasPopperEscaped: hasPopperEscaped\n };\n state.attributes.popper = Object.assign({}, state.attributes.popper, {\n 'data-popper-reference-hidden': isReferenceHidden,\n 'data-popper-escaped': hasPopperEscaped\n });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'hide',\n enabled: true,\n phase: 'main',\n requiresIfExists: ['preventOverflow'],\n fn: hide\n};","import getBasePlacement from \"../utils/getBasePlacement.js\";\nimport { top, left, right, placements } from \"../enums.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport function distanceAndSkiddingToXY(placement, rects, offset) {\n var basePlacement = getBasePlacement(placement);\n var invertDistance = [left, top].indexOf(basePlacement) >= 0 ? -1 : 1;\n\n var _ref = typeof offset === 'function' ? offset(Object.assign({}, rects, {\n placement: placement\n })) : offset,\n skidding = _ref[0],\n distance = _ref[1];\n\n skidding = skidding || 0;\n distance = (distance || 0) * invertDistance;\n return [left, right].indexOf(basePlacement) >= 0 ? {\n x: distance,\n y: skidding\n } : {\n x: skidding,\n y: distance\n };\n}\n\nfunction offset(_ref2) {\n var state = _ref2.state,\n options = _ref2.options,\n name = _ref2.name;\n var _options$offset = options.offset,\n offset = _options$offset === void 0 ? [0, 0] : _options$offset;\n var data = placements.reduce(function (acc, placement) {\n acc[placement] = distanceAndSkiddingToXY(placement, state.rects, offset);\n return acc;\n }, {});\n var _data$state$placement = data[state.placement],\n x = _data$state$placement.x,\n y = _data$state$placement.y;\n\n if (state.modifiersData.popperOffsets != null) {\n state.modifiersData.popperOffsets.x += x;\n state.modifiersData.popperOffsets.y += y;\n }\n\n state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'offset',\n enabled: true,\n phase: 'main',\n requires: ['popperOffsets'],\n fn: offset\n};","import computeOffsets from \"../utils/computeOffsets.js\";\n\nfunction popperOffsets(_ref) {\n var state = _ref.state,\n name = _ref.name;\n // Offsets are the actual position the popper needs to have to be\n // properly positioned near its reference element\n // This is the most basic placement, and will be adjusted by\n // the modifiers in the next step\n state.modifiersData[name] = computeOffsets({\n reference: state.rects.reference,\n element: state.rects.popper,\n strategy: 'absolute',\n placement: state.placement\n });\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'popperOffsets',\n enabled: true,\n phase: 'read',\n fn: popperOffsets,\n data: {}\n};","import { top, left, right, bottom, start } from \"../enums.js\";\nimport getBasePlacement from \"../utils/getBasePlacement.js\";\nimport getMainAxisFromPlacement from \"../utils/getMainAxisFromPlacement.js\";\nimport getAltAxis from \"../utils/getAltAxis.js\";\nimport { within, withinMaxClamp } from \"../utils/within.js\";\nimport getLayoutRect from \"../dom-utils/getLayoutRect.js\";\nimport getOffsetParent from \"../dom-utils/getOffsetParent.js\";\nimport detectOverflow from \"../utils/detectOverflow.js\";\nimport getVariation from \"../utils/getVariation.js\";\nimport getFreshSideObject from \"../utils/getFreshSideObject.js\";\nimport { min as mathMin, max as mathMax } from \"../utils/math.js\";\n\nfunction preventOverflow(_ref) {\n var state = _ref.state,\n options = _ref.options,\n name = _ref.name;\n var _options$mainAxis = options.mainAxis,\n checkMainAxis = _options$mainAxis === void 0 ? true : _options$mainAxis,\n _options$altAxis = options.altAxis,\n checkAltAxis = _options$altAxis === void 0 ? false : _options$altAxis,\n boundary = options.boundary,\n rootBoundary = options.rootBoundary,\n altBoundary = options.altBoundary,\n padding = options.padding,\n _options$tether = options.tether,\n tether = _options$tether === void 0 ? true : _options$tether,\n _options$tetherOffset = options.tetherOffset,\n tetherOffset = _options$tetherOffset === void 0 ? 0 : _options$tetherOffset;\n var overflow = detectOverflow(state, {\n boundary: boundary,\n rootBoundary: rootBoundary,\n padding: padding,\n altBoundary: altBoundary\n });\n var basePlacement = getBasePlacement(state.placement);\n var variation = getVariation(state.placement);\n var isBasePlacement = !variation;\n var mainAxis = getMainAxisFromPlacement(basePlacement);\n var altAxis = getAltAxis(mainAxis);\n var popperOffsets = state.modifiersData.popperOffsets;\n var referenceRect = state.rects.reference;\n var popperRect = state.rects.popper;\n var tetherOffsetValue = typeof tetherOffset === 'function' ? tetherOffset(Object.assign({}, state.rects, {\n placement: state.placement\n })) : tetherOffset;\n var normalizedTetherOffsetValue = typeof tetherOffsetValue === 'number' ? {\n mainAxis: tetherOffsetValue,\n altAxis: tetherOffsetValue\n } : Object.assign({\n mainAxis: 0,\n altAxis: 0\n }, tetherOffsetValue);\n var offsetModifierState = state.modifiersData.offset ? state.modifiersData.offset[state.placement] : null;\n var data = {\n x: 0,\n y: 0\n };\n\n if (!popperOffsets) {\n return;\n }\n\n if (checkMainAxis) {\n var _offsetModifierState$;\n\n var mainSide = mainAxis === 'y' ? top : left;\n var altSide = mainAxis === 'y' ? bottom : right;\n var len = mainAxis === 'y' ? 'height' : 'width';\n var offset = popperOffsets[mainAxis];\n var min = offset + overflow[mainSide];\n var max = offset - overflow[altSide];\n var additive = tether ? -popperRect[len] / 2 : 0;\n var minLen = variation === start ? referenceRect[len] : popperRect[len];\n var maxLen = variation === start ? -popperRect[len] : -referenceRect[len]; // We need to include the arrow in the calculation so the arrow doesn't go\n // outside the reference bounds\n\n var arrowElement = state.elements.arrow;\n var arrowRect = tether && arrowElement ? getLayoutRect(arrowElement) : {\n width: 0,\n height: 0\n };\n var arrowPaddingObject = state.modifiersData['arrow#persistent'] ? state.modifiersData['arrow#persistent'].padding : getFreshSideObject();\n var arrowPaddingMin = arrowPaddingObject[mainSide];\n var arrowPaddingMax = arrowPaddingObject[altSide]; // If the reference length is smaller than the arrow length, we don't want\n // to include its full size in the calculation. If the reference is small\n // and near the edge of a boundary, the popper can overflow even if the\n // reference is not overflowing as well (e.g. virtual elements with no\n // width or height)\n\n var arrowLen = within(0, referenceRect[len], arrowRect[len]);\n var minOffset = isBasePlacement ? referenceRect[len] / 2 - additive - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis : minLen - arrowLen - arrowPaddingMin - normalizedTetherOffsetValue.mainAxis;\n var maxOffset = isBasePlacement ? -referenceRect[len] / 2 + additive + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis : maxLen + arrowLen + arrowPaddingMax + normalizedTetherOffsetValue.mainAxis;\n var arrowOffsetParent = state.elements.arrow && getOffsetParent(state.elements.arrow);\n var clientOffset = arrowOffsetParent ? mainAxis === 'y' ? arrowOffsetParent.clientTop || 0 : arrowOffsetParent.clientLeft || 0 : 0;\n var offsetModifierValue = (_offsetModifierState$ = offsetModifierState == null ? void 0 : offsetModifierState[mainAxis]) != null ? _offsetModifierState$ : 0;\n var tetherMin = offset + minOffset - offsetModifierValue - clientOffset;\n var tetherMax = offset + maxOffset - offsetModifierValue;\n var preventedOffset = within(tether ? mathMin(min, tetherMin) : min, offset, tether ? mathMax(max, tetherMax) : max);\n popperOffsets[mainAxis] = preventedOffset;\n data[mainAxis] = preventedOffset - offset;\n }\n\n if (checkAltAxis) {\n var _offsetModifierState$2;\n\n var _mainSide = mainAxis === 'x' ? top : left;\n\n var _altSide = mainAxis === 'x' ? bottom : right;\n\n var _offset = popperOffsets[altAxis];\n\n var _len = altAxis === 'y' ? 'height' : 'width';\n\n var _min = _offset + overflow[_mainSide];\n\n var _max = _offset - overflow[_altSide];\n\n var isOriginSide = [top, left].indexOf(basePlacement) !== -1;\n\n var _offsetModifierValue = (_offsetModifierState$2 = offsetModifierState == null ? void 0 : offsetModifierState[altAxis]) != null ? _offsetModifierState$2 : 0;\n\n var _tetherMin = isOriginSide ? _min : _offset - referenceRect[_len] - popperRect[_len] - _offsetModifierValue + normalizedTetherOffsetValue.altAxis;\n\n var _tetherMax = isOriginSide ? _offset + referenceRect[_len] + popperRect[_len] - _offsetModifierValue - normalizedTetherOffsetValue.altAxis : _max;\n\n var _preventedOffset = tether && isOriginSide ? withinMaxClamp(_tetherMin, _offset, _tetherMax) : within(tether ? _tetherMin : _min, _offset, tether ? _tetherMax : _max);\n\n popperOffsets[altAxis] = _preventedOffset;\n data[altAxis] = _preventedOffset - _offset;\n }\n\n state.modifiersData[name] = data;\n} // eslint-disable-next-line import/no-unused-modules\n\n\nexport default {\n name: 'preventOverflow',\n enabled: true,\n phase: 'main',\n fn: preventOverflow,\n requiresIfExists: ['offset']\n};","export default function getAltAxis(axis) {\n return axis === 'x' ? 'y' : 'x';\n}","import getBoundingClientRect from \"./getBoundingClientRect.js\";\nimport getNodeScroll from \"./getNodeScroll.js\";\nimport getNodeName from \"./getNodeName.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getWindowScrollBarX from \"./getWindowScrollBarX.js\";\nimport getDocumentElement from \"./getDocumentElement.js\";\nimport isScrollParent from \"./isScrollParent.js\";\nimport { round } from \"../utils/math.js\";\n\nfunction isElementScaled(element) {\n var rect = element.getBoundingClientRect();\n var scaleX = round(rect.width) / element.offsetWidth || 1;\n var scaleY = round(rect.height) / element.offsetHeight || 1;\n return scaleX !== 1 || scaleY !== 1;\n} // Returns the composite rect of an element relative to its offsetParent.\n// Composite means it takes into account transforms as well as layout.\n\n\nexport default function getCompositeRect(elementOrVirtualElement, offsetParent, isFixed) {\n if (isFixed === void 0) {\n isFixed = false;\n }\n\n var isOffsetParentAnElement = isHTMLElement(offsetParent);\n var offsetParentIsScaled = isHTMLElement(offsetParent) && isElementScaled(offsetParent);\n var documentElement = getDocumentElement(offsetParent);\n var rect = getBoundingClientRect(elementOrVirtualElement, offsetParentIsScaled, isFixed);\n var scroll = {\n scrollLeft: 0,\n scrollTop: 0\n };\n var offsets = {\n x: 0,\n y: 0\n };\n\n if (isOffsetParentAnElement || !isOffsetParentAnElement && !isFixed) {\n if (getNodeName(offsetParent) !== 'body' || // https://github.com/popperjs/popper-core/issues/1078\n isScrollParent(documentElement)) {\n scroll = getNodeScroll(offsetParent);\n }\n\n if (isHTMLElement(offsetParent)) {\n offsets = getBoundingClientRect(offsetParent, true);\n offsets.x += offsetParent.clientLeft;\n offsets.y += offsetParent.clientTop;\n } else if (documentElement) {\n offsets.x = getWindowScrollBarX(documentElement);\n }\n }\n\n return {\n x: rect.left + scroll.scrollLeft - offsets.x,\n y: rect.top + scroll.scrollTop - offsets.y,\n width: rect.width,\n height: rect.height\n };\n}","import getWindowScroll from \"./getWindowScroll.js\";\nimport getWindow from \"./getWindow.js\";\nimport { isHTMLElement } from \"./instanceOf.js\";\nimport getHTMLElementScroll from \"./getHTMLElementScroll.js\";\nexport default function getNodeScroll(node) {\n if (node === getWindow(node) || !isHTMLElement(node)) {\n return getWindowScroll(node);\n } else {\n return getHTMLElementScroll(node);\n }\n}","export default function getHTMLElementScroll(element) {\n return {\n scrollLeft: element.scrollLeft,\n scrollTop: element.scrollTop\n };\n}","import { modifierPhases } from \"../enums.js\"; // source: https://stackoverflow.com/questions/49875255\n\nfunction order(modifiers) {\n var map = new Map();\n var visited = new Set();\n var result = [];\n modifiers.forEach(function (modifier) {\n map.set(modifier.name, modifier);\n }); // On visiting object, check for its dependencies and visit them recursively\n\n function sort(modifier) {\n visited.add(modifier.name);\n var requires = [].concat(modifier.requires || [], modifier.requiresIfExists || []);\n requires.forEach(function (dep) {\n if (!visited.has(dep)) {\n var depModifier = map.get(dep);\n\n if (depModifier) {\n sort(depModifier);\n }\n }\n });\n result.push(modifier);\n }\n\n modifiers.forEach(function (modifier) {\n if (!visited.has(modifier.name)) {\n // check for visited object\n sort(modifier);\n }\n });\n return result;\n}\n\nexport default function orderModifiers(modifiers) {\n // order based on dependencies\n var orderedModifiers = order(modifiers); // order based on phase\n\n return modifierPhases.reduce(function (acc, phase) {\n return acc.concat(orderedModifiers.filter(function (modifier) {\n return modifier.phase === phase;\n }));\n }, []);\n}","import getCompositeRect from \"./dom-utils/getCompositeRect.js\";\nimport getLayoutRect from \"./dom-utils/getLayoutRect.js\";\nimport listScrollParents from \"./dom-utils/listScrollParents.js\";\nimport getOffsetParent from \"./dom-utils/getOffsetParent.js\";\nimport orderModifiers from \"./utils/orderModifiers.js\";\nimport debounce from \"./utils/debounce.js\";\nimport mergeByName from \"./utils/mergeByName.js\";\nimport detectOverflow from \"./utils/detectOverflow.js\";\nimport { isElement } from \"./dom-utils/instanceOf.js\";\nvar DEFAULT_OPTIONS = {\n placement: 'bottom',\n modifiers: [],\n strategy: 'absolute'\n};\n\nfunction areValidElements() {\n for (var _len = arguments.length, args = new Array(_len), _key = 0; _key < _len; _key++) {\n args[_key] = arguments[_key];\n }\n\n return !args.some(function (element) {\n return !(element && typeof element.getBoundingClientRect === 'function');\n });\n}\n\nexport function popperGenerator(generatorOptions) {\n if (generatorOptions === void 0) {\n generatorOptions = {};\n }\n\n var _generatorOptions = generatorOptions,\n _generatorOptions$def = _generatorOptions.defaultModifiers,\n defaultModifiers = _generatorOptions$def === void 0 ? [] : _generatorOptions$def,\n _generatorOptions$def2 = _generatorOptions.defaultOptions,\n defaultOptions = _generatorOptions$def2 === void 0 ? DEFAULT_OPTIONS : _generatorOptions$def2;\n return function createPopper(reference, popper, options) {\n if (options === void 0) {\n options = defaultOptions;\n }\n\n var state = {\n placement: 'bottom',\n orderedModifiers: [],\n options: Object.assign({}, DEFAULT_OPTIONS, defaultOptions),\n modifiersData: {},\n elements: {\n reference: reference,\n popper: popper\n },\n attributes: {},\n styles: {}\n };\n var effectCleanupFns = [];\n var isDestroyed = false;\n var instance = {\n state: state,\n setOptions: function setOptions(setOptionsAction) {\n var options = typeof setOptionsAction === 'function' ? setOptionsAction(state.options) : setOptionsAction;\n cleanupModifierEffects();\n state.options = Object.assign({}, defaultOptions, state.options, options);\n state.scrollParents = {\n reference: isElement(reference) ? listScrollParents(reference) : reference.contextElement ? listScrollParents(reference.contextElement) : [],\n popper: listScrollParents(popper)\n }; // Orders the modifiers based on their dependencies and `phase`\n // properties\n\n var orderedModifiers = orderModifiers(mergeByName([].concat(defaultModifiers, state.options.modifiers))); // Strip out disabled modifiers\n\n state.orderedModifiers = orderedModifiers.filter(function (m) {\n return m.enabled;\n });\n runModifierEffects();\n return instance.update();\n },\n // Sync update – it will always be executed, even if not necessary. This\n // is useful for low frequency updates where sync behavior simplifies the\n // logic.\n // For high frequency updates (e.g. `resize` and `scroll` events), always\n // prefer the async Popper#update method\n forceUpdate: function forceUpdate() {\n if (isDestroyed) {\n return;\n }\n\n var _state$elements = state.elements,\n reference = _state$elements.reference,\n popper = _state$elements.popper; // Don't proceed if `reference` or `popper` are not valid elements\n // anymore\n\n if (!areValidElements(reference, popper)) {\n return;\n } // Store the reference and popper rects to be read by modifiers\n\n\n state.rects = {\n reference: getCompositeRect(reference, getOffsetParent(popper), state.options.strategy === 'fixed'),\n popper: getLayoutRect(popper)\n }; // Modifiers have the ability to reset the current update cycle. The\n // most common use case for this is the `flip` modifier changing the\n // placement, which then needs to re-run all the modifiers, because the\n // logic was previously ran for the previous placement and is therefore\n // stale/incorrect\n\n state.reset = false;\n state.placement = state.options.placement; // On each update cycle, the `modifiersData` property for each modifier\n // is filled with the initial data specified by the modifier. This means\n // it doesn't persist and is fresh on each update.\n // To ensure persistent data, use `${name}#persistent`\n\n state.orderedModifiers.forEach(function (modifier) {\n return state.modifiersData[modifier.name] = Object.assign({}, modifier.data);\n });\n\n for (var index = 0; index < state.orderedModifiers.length; index++) {\n if (state.reset === true) {\n state.reset = false;\n index = -1;\n continue;\n }\n\n var _state$orderedModifie = state.orderedModifiers[index],\n fn = _state$orderedModifie.fn,\n _state$orderedModifie2 = _state$orderedModifie.options,\n _options = _state$orderedModifie2 === void 0 ? {} : _state$orderedModifie2,\n name = _state$orderedModifie.name;\n\n if (typeof fn === 'function') {\n state = fn({\n state: state,\n options: _options,\n name: name,\n instance: instance\n }) || state;\n }\n }\n },\n // Async and optimistically optimized update – it will not be executed if\n // not necessary (debounced to run at most once-per-tick)\n update: debounce(function () {\n return new Promise(function (resolve) {\n instance.forceUpdate();\n resolve(state);\n });\n }),\n destroy: function destroy() {\n cleanupModifierEffects();\n isDestroyed = true;\n }\n };\n\n if (!areValidElements(reference, popper)) {\n return instance;\n }\n\n instance.setOptions(options).then(function (state) {\n if (!isDestroyed && options.onFirstUpdate) {\n options.onFirstUpdate(state);\n }\n }); // Modifiers have the ability to execute arbitrary code before the first\n // update cycle runs. They will be executed in the same order as the update\n // cycle. This is useful when a modifier adds some persistent data that\n // other modifiers need to use, but the modifier is run after the dependent\n // one.\n\n function runModifierEffects() {\n state.orderedModifiers.forEach(function (_ref) {\n var name = _ref.name,\n _ref$options = _ref.options,\n options = _ref$options === void 0 ? {} : _ref$options,\n effect = _ref.effect;\n\n if (typeof effect === 'function') {\n var cleanupFn = effect({\n state: state,\n name: name,\n instance: instance,\n options: options\n });\n\n var noopFn = function noopFn() {};\n\n effectCleanupFns.push(cleanupFn || noopFn);\n }\n });\n }\n\n function cleanupModifierEffects() {\n effectCleanupFns.forEach(function (fn) {\n return fn();\n });\n effectCleanupFns = [];\n }\n\n return instance;\n };\n}\nexport var createPopper = /*#__PURE__*/popperGenerator(); // eslint-disable-next-line import/no-unused-modules\n\nexport { detectOverflow };","export default function debounce(fn) {\n var pending;\n return function () {\n if (!pending) {\n pending = new Promise(function (resolve) {\n Promise.resolve().then(function () {\n pending = undefined;\n resolve(fn());\n });\n });\n }\n\n return pending;\n };\n}","export default function mergeByName(modifiers) {\n var merged = modifiers.reduce(function (merged, current) {\n var existing = merged[current.name];\n merged[current.name] = existing ? Object.assign({}, existing, current, {\n options: Object.assign({}, existing.options, current.options),\n data: Object.assign({}, existing.data, current.data)\n }) : current;\n return merged;\n }, {}); // IE11 does not support Object.values\n\n return Object.keys(merged).map(function (key) {\n return merged[key];\n });\n}","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nimport offset from \"./modifiers/offset.js\";\nimport flip from \"./modifiers/flip.js\";\nimport preventOverflow from \"./modifiers/preventOverflow.js\";\nimport arrow from \"./modifiers/arrow.js\";\nimport hide from \"./modifiers/hide.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles, offset, flip, preventOverflow, arrow, hide];\nvar createPopper = /*#__PURE__*/popperGenerator({\n defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow }; // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper as createPopperLite } from \"./popper-lite.js\"; // eslint-disable-next-line import/no-unused-modules\n\nexport * from \"./modifiers/index.js\";","import { popperGenerator, detectOverflow } from \"./createPopper.js\";\nimport eventListeners from \"./modifiers/eventListeners.js\";\nimport popperOffsets from \"./modifiers/popperOffsets.js\";\nimport computeStyles from \"./modifiers/computeStyles.js\";\nimport applyStyles from \"./modifiers/applyStyles.js\";\nvar defaultModifiers = [eventListeners, popperOffsets, computeStyles, applyStyles];\nvar createPopper = /*#__PURE__*/popperGenerator({\n defaultModifiers: defaultModifiers\n}); // eslint-disable-next-line import/no-unused-modules\n\nexport { createPopper, popperGenerator, defaultModifiers, detectOverflow };","/*!\n * Bootstrap v5.3.2 (https://getbootstrap.com/)\n * Copyright 2011-2023 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors)\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n */\nimport * as Popper from '@popperjs/core';\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/data.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n/**\n * Constants\n */\n\nconst elementMap = new Map();\nconst Data = {\n set(element, key, instance) {\n if (!elementMap.has(element)) {\n elementMap.set(element, new Map());\n }\n const instanceMap = elementMap.get(element);\n\n // make it clear we only want one instance per element\n // can be removed later when multiple key/instances are fine to be used\n if (!instanceMap.has(key) && instanceMap.size !== 0) {\n // eslint-disable-next-line no-console\n console.error(`Bootstrap doesn't allow more than one instance per element. Bound instance: ${Array.from(instanceMap.keys())[0]}.`);\n return;\n }\n instanceMap.set(key, instance);\n },\n get(element, key) {\n if (elementMap.has(element)) {\n return elementMap.get(element).get(key) || null;\n }\n return null;\n },\n remove(element, key) {\n if (!elementMap.has(element)) {\n return;\n }\n const instanceMap = elementMap.get(element);\n instanceMap.delete(key);\n\n // free up element references if there are no instances left for an element\n if (instanceMap.size === 0) {\n elementMap.delete(element);\n }\n }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/index.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst MAX_UID = 1000000;\nconst MILLISECONDS_MULTIPLIER = 1000;\nconst TRANSITION_END = 'transitionend';\n\n/**\n * Properly escape IDs selectors to handle weird IDs\n * @param {string} selector\n * @returns {string}\n */\nconst parseSelector = selector => {\n if (selector && window.CSS && window.CSS.escape) {\n // document.querySelector needs escaping to handle IDs (html5+) containing for instance /\n selector = selector.replace(/#([^\\s\"#']+)/g, (match, id) => `#${CSS.escape(id)}`);\n }\n return selector;\n};\n\n// Shout-out Angus Croll (https://goo.gl/pxwQGp)\nconst toType = object => {\n if (object === null || object === undefined) {\n return `${object}`;\n }\n return Object.prototype.toString.call(object).match(/\\s([a-z]+)/i)[1].toLowerCase();\n};\n\n/**\n * Public Util API\n */\n\nconst getUID = prefix => {\n do {\n prefix += Math.floor(Math.random() * MAX_UID);\n } while (document.getElementById(prefix));\n return prefix;\n};\nconst getTransitionDurationFromElement = element => {\n if (!element) {\n return 0;\n }\n\n // Get transition-duration of the element\n let {\n transitionDuration,\n transitionDelay\n } = window.getComputedStyle(element);\n const floatTransitionDuration = Number.parseFloat(transitionDuration);\n const floatTransitionDelay = Number.parseFloat(transitionDelay);\n\n // Return 0 if element or transition duration is not found\n if (!floatTransitionDuration && !floatTransitionDelay) {\n return 0;\n }\n\n // If multiple durations are defined, take the first\n transitionDuration = transitionDuration.split(',')[0];\n transitionDelay = transitionDelay.split(',')[0];\n return (Number.parseFloat(transitionDuration) + Number.parseFloat(transitionDelay)) * MILLISECONDS_MULTIPLIER;\n};\nconst triggerTransitionEnd = element => {\n element.dispatchEvent(new Event(TRANSITION_END));\n};\nconst isElement = object => {\n if (!object || typeof object !== 'object') {\n return false;\n }\n if (typeof object.jquery !== 'undefined') {\n object = object[0];\n }\n return typeof object.nodeType !== 'undefined';\n};\nconst getElement = object => {\n // it's a jQuery object or a node element\n if (isElement(object)) {\n return object.jquery ? object[0] : object;\n }\n if (typeof object === 'string' && object.length > 0) {\n return document.querySelector(parseSelector(object));\n }\n return null;\n};\nconst isVisible = element => {\n if (!isElement(element) || element.getClientRects().length === 0) {\n return false;\n }\n const elementIsVisible = getComputedStyle(element).getPropertyValue('visibility') === 'visible';\n // Handle `details` element as its content may falsie appear visible when it is closed\n const closedDetails = element.closest('details:not([open])');\n if (!closedDetails) {\n return elementIsVisible;\n }\n if (closedDetails !== element) {\n const summary = element.closest('summary');\n if (summary && summary.parentNode !== closedDetails) {\n return false;\n }\n if (summary === null) {\n return false;\n }\n }\n return elementIsVisible;\n};\nconst isDisabled = element => {\n if (!element || element.nodeType !== Node.ELEMENT_NODE) {\n return true;\n }\n if (element.classList.contains('disabled')) {\n return true;\n }\n if (typeof element.disabled !== 'undefined') {\n return element.disabled;\n }\n return element.hasAttribute('disabled') && element.getAttribute('disabled') !== 'false';\n};\nconst findShadowRoot = element => {\n if (!document.documentElement.attachShadow) {\n return null;\n }\n\n // Can find the shadow root otherwise it'll return the document\n if (typeof element.getRootNode === 'function') {\n const root = element.getRootNode();\n return root instanceof ShadowRoot ? root : null;\n }\n if (element instanceof ShadowRoot) {\n return element;\n }\n\n // when we don't find a shadow root\n if (!element.parentNode) {\n return null;\n }\n return findShadowRoot(element.parentNode);\n};\nconst noop = () => {};\n\n/**\n * Trick to restart an element's animation\n *\n * @param {HTMLElement} element\n * @return void\n *\n * @see https://www.charistheo.io/blog/2021/02/restart-a-css-animation-with-javascript/#restarting-a-css-animation\n */\nconst reflow = element => {\n element.offsetHeight; // eslint-disable-line no-unused-expressions\n};\n\nconst getjQuery = () => {\n if (window.jQuery && !document.body.hasAttribute('data-bs-no-jquery')) {\n return window.jQuery;\n }\n return null;\n};\nconst DOMContentLoadedCallbacks = [];\nconst onDOMContentLoaded = callback => {\n if (document.readyState === 'loading') {\n // add listener on the first call when the document is in loading state\n if (!DOMContentLoadedCallbacks.length) {\n document.addEventListener('DOMContentLoaded', () => {\n for (const callback of DOMContentLoadedCallbacks) {\n callback();\n }\n });\n }\n DOMContentLoadedCallbacks.push(callback);\n } else {\n callback();\n }\n};\nconst isRTL = () => document.documentElement.dir === 'rtl';\nconst defineJQueryPlugin = plugin => {\n onDOMContentLoaded(() => {\n const $ = getjQuery();\n /* istanbul ignore if */\n if ($) {\n const name = plugin.NAME;\n const JQUERY_NO_CONFLICT = $.fn[name];\n $.fn[name] = plugin.jQueryInterface;\n $.fn[name].Constructor = plugin;\n $.fn[name].noConflict = () => {\n $.fn[name] = JQUERY_NO_CONFLICT;\n return plugin.jQueryInterface;\n };\n }\n });\n};\nconst execute = (possibleCallback, args = [], defaultValue = possibleCallback) => {\n return typeof possibleCallback === 'function' ? possibleCallback(...args) : defaultValue;\n};\nconst executeAfterTransition = (callback, transitionElement, waitForTransition = true) => {\n if (!waitForTransition) {\n execute(callback);\n return;\n }\n const durationPadding = 5;\n const emulatedDuration = getTransitionDurationFromElement(transitionElement) + durationPadding;\n let called = false;\n const handler = ({\n target\n }) => {\n if (target !== transitionElement) {\n return;\n }\n called = true;\n transitionElement.removeEventListener(TRANSITION_END, handler);\n execute(callback);\n };\n transitionElement.addEventListener(TRANSITION_END, handler);\n setTimeout(() => {\n if (!called) {\n triggerTransitionEnd(transitionElement);\n }\n }, emulatedDuration);\n};\n\n/**\n * Return the previous/next element of a list.\n *\n * @param {array} list The list of elements\n * @param activeElement The active element\n * @param shouldGetNext Choose to get next or previous element\n * @param isCycleAllowed\n * @return {Element|elem} The proper element\n */\nconst getNextActiveElement = (list, activeElement, shouldGetNext, isCycleAllowed) => {\n const listLength = list.length;\n let index = list.indexOf(activeElement);\n\n // if the element does not exist in the list return an element\n // depending on the direction and if cycle is allowed\n if (index === -1) {\n return !shouldGetNext && isCycleAllowed ? list[listLength - 1] : list[0];\n }\n index += shouldGetNext ? 1 : -1;\n if (isCycleAllowed) {\n index = (index + listLength) % listLength;\n }\n return list[Math.max(0, Math.min(index, listLength - 1))];\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/event-handler.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst namespaceRegex = /[^.]*(?=\\..*)\\.|.*/;\nconst stripNameRegex = /\\..*/;\nconst stripUidRegex = /::\\d+$/;\nconst eventRegistry = {}; // Events storage\nlet uidEvent = 1;\nconst customEvents = {\n mouseenter: 'mouseover',\n mouseleave: 'mouseout'\n};\nconst nativeEvents = new Set(['click', 'dblclick', 'mouseup', 'mousedown', 'contextmenu', 'mousewheel', 'DOMMouseScroll', 'mouseover', 'mouseout', 'mousemove', 'selectstart', 'selectend', 'keydown', 'keypress', 'keyup', 'orientationchange', 'touchstart', 'touchmove', 'touchend', 'touchcancel', 'pointerdown', 'pointermove', 'pointerup', 'pointerleave', 'pointercancel', 'gesturestart', 'gesturechange', 'gestureend', 'focus', 'blur', 'change', 'reset', 'select', 'submit', 'focusin', 'focusout', 'load', 'unload', 'beforeunload', 'resize', 'move', 'DOMContentLoaded', 'readystatechange', 'error', 'abort', 'scroll']);\n\n/**\n * Private methods\n */\n\nfunction makeEventUid(element, uid) {\n return uid && `${uid}::${uidEvent++}` || element.uidEvent || uidEvent++;\n}\nfunction getElementEvents(element) {\n const uid = makeEventUid(element);\n element.uidEvent = uid;\n eventRegistry[uid] = eventRegistry[uid] || {};\n return eventRegistry[uid];\n}\nfunction bootstrapHandler(element, fn) {\n return function handler(event) {\n hydrateObj(event, {\n delegateTarget: element\n });\n if (handler.oneOff) {\n EventHandler.off(element, event.type, fn);\n }\n return fn.apply(element, [event]);\n };\n}\nfunction bootstrapDelegationHandler(element, selector, fn) {\n return function handler(event) {\n const domElements = element.querySelectorAll(selector);\n for (let {\n target\n } = event; target && target !== this; target = target.parentNode) {\n for (const domElement of domElements) {\n if (domElement !== target) {\n continue;\n }\n hydrateObj(event, {\n delegateTarget: target\n });\n if (handler.oneOff) {\n EventHandler.off(element, event.type, selector, fn);\n }\n return fn.apply(target, [event]);\n }\n }\n };\n}\nfunction findHandler(events, callable, delegationSelector = null) {\n return Object.values(events).find(event => event.callable === callable && event.delegationSelector === delegationSelector);\n}\nfunction normalizeParameters(originalTypeEvent, handler, delegationFunction) {\n const isDelegated = typeof handler === 'string';\n // TODO: tooltip passes `false` instead of selector, so we need to check\n const callable = isDelegated ? delegationFunction : handler || delegationFunction;\n let typeEvent = getTypeEvent(originalTypeEvent);\n if (!nativeEvents.has(typeEvent)) {\n typeEvent = originalTypeEvent;\n }\n return [isDelegated, callable, typeEvent];\n}\nfunction addHandler(element, originalTypeEvent, handler, delegationFunction, oneOff) {\n if (typeof originalTypeEvent !== 'string' || !element) {\n return;\n }\n let [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n\n // in case of mouseenter or mouseleave wrap the handler within a function that checks for its DOM position\n // this prevents the handler from being dispatched the same way as mouseover or mouseout does\n if (originalTypeEvent in customEvents) {\n const wrapFunction = fn => {\n return function (event) {\n if (!event.relatedTarget || event.relatedTarget !== event.delegateTarget && !event.delegateTarget.contains(event.relatedTarget)) {\n return fn.call(this, event);\n }\n };\n };\n callable = wrapFunction(callable);\n }\n const events = getElementEvents(element);\n const handlers = events[typeEvent] || (events[typeEvent] = {});\n const previousFunction = findHandler(handlers, callable, isDelegated ? handler : null);\n if (previousFunction) {\n previousFunction.oneOff = previousFunction.oneOff && oneOff;\n return;\n }\n const uid = makeEventUid(callable, originalTypeEvent.replace(namespaceRegex, ''));\n const fn = isDelegated ? bootstrapDelegationHandler(element, handler, callable) : bootstrapHandler(element, callable);\n fn.delegationSelector = isDelegated ? handler : null;\n fn.callable = callable;\n fn.oneOff = oneOff;\n fn.uidEvent = uid;\n handlers[uid] = fn;\n element.addEventListener(typeEvent, fn, isDelegated);\n}\nfunction removeHandler(element, events, typeEvent, handler, delegationSelector) {\n const fn = findHandler(events[typeEvent], handler, delegationSelector);\n if (!fn) {\n return;\n }\n element.removeEventListener(typeEvent, fn, Boolean(delegationSelector));\n delete events[typeEvent][fn.uidEvent];\n}\nfunction removeNamespacedHandlers(element, events, typeEvent, namespace) {\n const storeElementEvent = events[typeEvent] || {};\n for (const [handlerKey, event] of Object.entries(storeElementEvent)) {\n if (handlerKey.includes(namespace)) {\n removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n }\n }\n}\nfunction getTypeEvent(event) {\n // allow to get the native events from namespaced events ('click.bs.button' --> 'click')\n event = event.replace(stripNameRegex, '');\n return customEvents[event] || event;\n}\nconst EventHandler = {\n on(element, event, handler, delegationFunction) {\n addHandler(element, event, handler, delegationFunction, false);\n },\n one(element, event, handler, delegationFunction) {\n addHandler(element, event, handler, delegationFunction, true);\n },\n off(element, originalTypeEvent, handler, delegationFunction) {\n if (typeof originalTypeEvent !== 'string' || !element) {\n return;\n }\n const [isDelegated, callable, typeEvent] = normalizeParameters(originalTypeEvent, handler, delegationFunction);\n const inNamespace = typeEvent !== originalTypeEvent;\n const events = getElementEvents(element);\n const storeElementEvent = events[typeEvent] || {};\n const isNamespace = originalTypeEvent.startsWith('.');\n if (typeof callable !== 'undefined') {\n // Simplest case: handler is passed, remove that listener ONLY.\n if (!Object.keys(storeElementEvent).length) {\n return;\n }\n removeHandler(element, events, typeEvent, callable, isDelegated ? handler : null);\n return;\n }\n if (isNamespace) {\n for (const elementEvent of Object.keys(events)) {\n removeNamespacedHandlers(element, events, elementEvent, originalTypeEvent.slice(1));\n }\n }\n for (const [keyHandlers, event] of Object.entries(storeElementEvent)) {\n const handlerKey = keyHandlers.replace(stripUidRegex, '');\n if (!inNamespace || originalTypeEvent.includes(handlerKey)) {\n removeHandler(element, events, typeEvent, event.callable, event.delegationSelector);\n }\n }\n },\n trigger(element, event, args) {\n if (typeof event !== 'string' || !element) {\n return null;\n }\n const $ = getjQuery();\n const typeEvent = getTypeEvent(event);\n const inNamespace = event !== typeEvent;\n let jQueryEvent = null;\n let bubbles = true;\n let nativeDispatch = true;\n let defaultPrevented = false;\n if (inNamespace && $) {\n jQueryEvent = $.Event(event, args);\n $(element).trigger(jQueryEvent);\n bubbles = !jQueryEvent.isPropagationStopped();\n nativeDispatch = !jQueryEvent.isImmediatePropagationStopped();\n defaultPrevented = jQueryEvent.isDefaultPrevented();\n }\n const evt = hydrateObj(new Event(event, {\n bubbles,\n cancelable: true\n }), args);\n if (defaultPrevented) {\n evt.preventDefault();\n }\n if (nativeDispatch) {\n element.dispatchEvent(evt);\n }\n if (evt.defaultPrevented && jQueryEvent) {\n jQueryEvent.preventDefault();\n }\n return evt;\n }\n};\nfunction hydrateObj(obj, meta = {}) {\n for (const [key, value] of Object.entries(meta)) {\n try {\n obj[key] = value;\n } catch (_unused) {\n Object.defineProperty(obj, key, {\n configurable: true,\n get() {\n return value;\n }\n });\n }\n }\n return obj;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/manipulator.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nfunction normalizeData(value) {\n if (value === 'true') {\n return true;\n }\n if (value === 'false') {\n return false;\n }\n if (value === Number(value).toString()) {\n return Number(value);\n }\n if (value === '' || value === 'null') {\n return null;\n }\n if (typeof value !== 'string') {\n return value;\n }\n try {\n return JSON.parse(decodeURIComponent(value));\n } catch (_unused) {\n return value;\n }\n}\nfunction normalizeDataKey(key) {\n return key.replace(/[A-Z]/g, chr => `-${chr.toLowerCase()}`);\n}\nconst Manipulator = {\n setDataAttribute(element, key, value) {\n element.setAttribute(`data-bs-${normalizeDataKey(key)}`, value);\n },\n removeDataAttribute(element, key) {\n element.removeAttribute(`data-bs-${normalizeDataKey(key)}`);\n },\n getDataAttributes(element) {\n if (!element) {\n return {};\n }\n const attributes = {};\n const bsKeys = Object.keys(element.dataset).filter(key => key.startsWith('bs') && !key.startsWith('bsConfig'));\n for (const key of bsKeys) {\n let pureKey = key.replace(/^bs/, '');\n pureKey = pureKey.charAt(0).toLowerCase() + pureKey.slice(1, pureKey.length);\n attributes[pureKey] = normalizeData(element.dataset[key]);\n }\n return attributes;\n },\n getDataAttribute(element, key) {\n return normalizeData(element.getAttribute(`data-bs-${normalizeDataKey(key)}`));\n }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/config.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Class definition\n */\n\nclass Config {\n // Getters\n static get Default() {\n return {};\n }\n static get DefaultType() {\n return {};\n }\n static get NAME() {\n throw new Error('You have to implement the static method \"NAME\", for each component!');\n }\n _getConfig(config) {\n config = this._mergeConfigObj(config);\n config = this._configAfterMerge(config);\n this._typeCheckConfig(config);\n return config;\n }\n _configAfterMerge(config) {\n return config;\n }\n _mergeConfigObj(config, element) {\n const jsonConfig = isElement(element) ? Manipulator.getDataAttribute(element, 'config') : {}; // try to parse\n\n return {\n ...this.constructor.Default,\n ...(typeof jsonConfig === 'object' ? jsonConfig : {}),\n ...(isElement(element) ? Manipulator.getDataAttributes(element) : {}),\n ...(typeof config === 'object' ? config : {})\n };\n }\n _typeCheckConfig(config, configTypes = this.constructor.DefaultType) {\n for (const [property, expectedTypes] of Object.entries(configTypes)) {\n const value = config[property];\n const valueType = isElement(value) ? 'element' : toType(value);\n if (!new RegExp(expectedTypes).test(valueType)) {\n throw new TypeError(`${this.constructor.NAME.toUpperCase()}: Option \"${property}\" provided type \"${valueType}\" but expected type \"${expectedTypes}\".`);\n }\n }\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap base-component.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst VERSION = '5.3.2';\n\n/**\n * Class definition\n */\n\nclass BaseComponent extends Config {\n constructor(element, config) {\n super();\n element = getElement(element);\n if (!element) {\n return;\n }\n this._element = element;\n this._config = this._getConfig(config);\n Data.set(this._element, this.constructor.DATA_KEY, this);\n }\n\n // Public\n dispose() {\n Data.remove(this._element, this.constructor.DATA_KEY);\n EventHandler.off(this._element, this.constructor.EVENT_KEY);\n for (const propertyName of Object.getOwnPropertyNames(this)) {\n this[propertyName] = null;\n }\n }\n _queueCallback(callback, element, isAnimated = true) {\n executeAfterTransition(callback, element, isAnimated);\n }\n _getConfig(config) {\n config = this._mergeConfigObj(config, this._element);\n config = this._configAfterMerge(config);\n this._typeCheckConfig(config);\n return config;\n }\n\n // Static\n static getInstance(element) {\n return Data.get(getElement(element), this.DATA_KEY);\n }\n static getOrCreateInstance(element, config = {}) {\n return this.getInstance(element) || new this(element, typeof config === 'object' ? config : null);\n }\n static get VERSION() {\n return VERSION;\n }\n static get DATA_KEY() {\n return `bs.${this.NAME}`;\n }\n static get EVENT_KEY() {\n return `.${this.DATA_KEY}`;\n }\n static eventName(name) {\n return `${name}${this.EVENT_KEY}`;\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dom/selector-engine.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst getSelector = element => {\n let selector = element.getAttribute('data-bs-target');\n if (!selector || selector === '#') {\n let hrefAttribute = element.getAttribute('href');\n\n // The only valid content that could double as a selector are IDs or classes,\n // so everything starting with `#` or `.`. If a \"real\" URL is used as the selector,\n // `document.querySelector` will rightfully complain it is invalid.\n // See https://github.com/twbs/bootstrap/issues/32273\n if (!hrefAttribute || !hrefAttribute.includes('#') && !hrefAttribute.startsWith('.')) {\n return null;\n }\n\n // Just in case some CMS puts out a full URL with the anchor appended\n if (hrefAttribute.includes('#') && !hrefAttribute.startsWith('#')) {\n hrefAttribute = `#${hrefAttribute.split('#')[1]}`;\n }\n selector = hrefAttribute && hrefAttribute !== '#' ? parseSelector(hrefAttribute.trim()) : null;\n }\n return selector;\n};\nconst SelectorEngine = {\n find(selector, element = document.documentElement) {\n return [].concat(...Element.prototype.querySelectorAll.call(element, selector));\n },\n findOne(selector, element = document.documentElement) {\n return Element.prototype.querySelector.call(element, selector);\n },\n children(element, selector) {\n return [].concat(...element.children).filter(child => child.matches(selector));\n },\n parents(element, selector) {\n const parents = [];\n let ancestor = element.parentNode.closest(selector);\n while (ancestor) {\n parents.push(ancestor);\n ancestor = ancestor.parentNode.closest(selector);\n }\n return parents;\n },\n prev(element, selector) {\n let previous = element.previousElementSibling;\n while (previous) {\n if (previous.matches(selector)) {\n return [previous];\n }\n previous = previous.previousElementSibling;\n }\n return [];\n },\n // TODO: this is now unused; remove later along with prev()\n next(element, selector) {\n let next = element.nextElementSibling;\n while (next) {\n if (next.matches(selector)) {\n return [next];\n }\n next = next.nextElementSibling;\n }\n return [];\n },\n focusableChildren(element) {\n const focusables = ['a', 'button', 'input', 'textarea', 'select', 'details', '[tabindex]', '[contenteditable=\"true\"]'].map(selector => `${selector}:not([tabindex^=\"-\"])`).join(',');\n return this.find(focusables, element).filter(el => !isDisabled(el) && isVisible(el));\n },\n getSelectorFromElement(element) {\n const selector = getSelector(element);\n if (selector) {\n return SelectorEngine.findOne(selector) ? selector : null;\n }\n return null;\n },\n getElementFromSelector(element) {\n const selector = getSelector(element);\n return selector ? SelectorEngine.findOne(selector) : null;\n },\n getMultipleElementsFromSelector(element) {\n const selector = getSelector(element);\n return selector ? SelectorEngine.find(selector) : [];\n }\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/component-functions.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\nconst enableDismissTrigger = (component, method = 'hide') => {\n const clickEvent = `click.dismiss${component.EVENT_KEY}`;\n const name = component.NAME;\n EventHandler.on(document, clickEvent, `[data-bs-dismiss=\"${name}\"]`, function (event) {\n if (['A', 'AREA'].includes(this.tagName)) {\n event.preventDefault();\n }\n if (isDisabled(this)) {\n return;\n }\n const target = SelectorEngine.getElementFromSelector(this) || this.closest(`.${name}`);\n const instance = component.getOrCreateInstance(target);\n\n // Method argument is left, for Alert and only, as it doesn't implement the 'hide' method\n instance[method]();\n });\n};\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap alert.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$f = 'alert';\nconst DATA_KEY$a = 'bs.alert';\nconst EVENT_KEY$b = `.${DATA_KEY$a}`;\nconst EVENT_CLOSE = `close${EVENT_KEY$b}`;\nconst EVENT_CLOSED = `closed${EVENT_KEY$b}`;\nconst CLASS_NAME_FADE$5 = 'fade';\nconst CLASS_NAME_SHOW$8 = 'show';\n\n/**\n * Class definition\n */\n\nclass Alert extends BaseComponent {\n // Getters\n static get NAME() {\n return NAME$f;\n }\n\n // Public\n close() {\n const closeEvent = EventHandler.trigger(this._element, EVENT_CLOSE);\n if (closeEvent.defaultPrevented) {\n return;\n }\n this._element.classList.remove(CLASS_NAME_SHOW$8);\n const isAnimated = this._element.classList.contains(CLASS_NAME_FADE$5);\n this._queueCallback(() => this._destroyElement(), this._element, isAnimated);\n }\n\n // Private\n _destroyElement() {\n this._element.remove();\n EventHandler.trigger(this._element, EVENT_CLOSED);\n this.dispose();\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Alert.getOrCreateInstance(this);\n if (typeof config !== 'string') {\n return;\n }\n if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config](this);\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nenableDismissTrigger(Alert, 'close');\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Alert);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap button.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$e = 'button';\nconst DATA_KEY$9 = 'bs.button';\nconst EVENT_KEY$a = `.${DATA_KEY$9}`;\nconst DATA_API_KEY$6 = '.data-api';\nconst CLASS_NAME_ACTIVE$3 = 'active';\nconst SELECTOR_DATA_TOGGLE$5 = '[data-bs-toggle=\"button\"]';\nconst EVENT_CLICK_DATA_API$6 = `click${EVENT_KEY$a}${DATA_API_KEY$6}`;\n\n/**\n * Class definition\n */\n\nclass Button extends BaseComponent {\n // Getters\n static get NAME() {\n return NAME$e;\n }\n\n // Public\n toggle() {\n // Toggle class and sync the `aria-pressed` attribute with the return value of the `.toggle()` method\n this._element.setAttribute('aria-pressed', this._element.classList.toggle(CLASS_NAME_ACTIVE$3));\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Button.getOrCreateInstance(this);\n if (config === 'toggle') {\n data[config]();\n }\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$6, SELECTOR_DATA_TOGGLE$5, event => {\n event.preventDefault();\n const button = event.target.closest(SELECTOR_DATA_TOGGLE$5);\n const data = Button.getOrCreateInstance(button);\n data.toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Button);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/swipe.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$d = 'swipe';\nconst EVENT_KEY$9 = '.bs.swipe';\nconst EVENT_TOUCHSTART = `touchstart${EVENT_KEY$9}`;\nconst EVENT_TOUCHMOVE = `touchmove${EVENT_KEY$9}`;\nconst EVENT_TOUCHEND = `touchend${EVENT_KEY$9}`;\nconst EVENT_POINTERDOWN = `pointerdown${EVENT_KEY$9}`;\nconst EVENT_POINTERUP = `pointerup${EVENT_KEY$9}`;\nconst POINTER_TYPE_TOUCH = 'touch';\nconst POINTER_TYPE_PEN = 'pen';\nconst CLASS_NAME_POINTER_EVENT = 'pointer-event';\nconst SWIPE_THRESHOLD = 40;\nconst Default$c = {\n endCallback: null,\n leftCallback: null,\n rightCallback: null\n};\nconst DefaultType$c = {\n endCallback: '(function|null)',\n leftCallback: '(function|null)',\n rightCallback: '(function|null)'\n};\n\n/**\n * Class definition\n */\n\nclass Swipe extends Config {\n constructor(element, config) {\n super();\n this._element = element;\n if (!element || !Swipe.isSupported()) {\n return;\n }\n this._config = this._getConfig(config);\n this._deltaX = 0;\n this._supportPointerEvents = Boolean(window.PointerEvent);\n this._initEvents();\n }\n\n // Getters\n static get Default() {\n return Default$c;\n }\n static get DefaultType() {\n return DefaultType$c;\n }\n static get NAME() {\n return NAME$d;\n }\n\n // Public\n dispose() {\n EventHandler.off(this._element, EVENT_KEY$9);\n }\n\n // Private\n _start(event) {\n if (!this._supportPointerEvents) {\n this._deltaX = event.touches[0].clientX;\n return;\n }\n if (this._eventIsPointerPenTouch(event)) {\n this._deltaX = event.clientX;\n }\n }\n _end(event) {\n if (this._eventIsPointerPenTouch(event)) {\n this._deltaX = event.clientX - this._deltaX;\n }\n this._handleSwipe();\n execute(this._config.endCallback);\n }\n _move(event) {\n this._deltaX = event.touches && event.touches.length > 1 ? 0 : event.touches[0].clientX - this._deltaX;\n }\n _handleSwipe() {\n const absDeltaX = Math.abs(this._deltaX);\n if (absDeltaX <= SWIPE_THRESHOLD) {\n return;\n }\n const direction = absDeltaX / this._deltaX;\n this._deltaX = 0;\n if (!direction) {\n return;\n }\n execute(direction > 0 ? this._config.rightCallback : this._config.leftCallback);\n }\n _initEvents() {\n if (this._supportPointerEvents) {\n EventHandler.on(this._element, EVENT_POINTERDOWN, event => this._start(event));\n EventHandler.on(this._element, EVENT_POINTERUP, event => this._end(event));\n this._element.classList.add(CLASS_NAME_POINTER_EVENT);\n } else {\n EventHandler.on(this._element, EVENT_TOUCHSTART, event => this._start(event));\n EventHandler.on(this._element, EVENT_TOUCHMOVE, event => this._move(event));\n EventHandler.on(this._element, EVENT_TOUCHEND, event => this._end(event));\n }\n }\n _eventIsPointerPenTouch(event) {\n return this._supportPointerEvents && (event.pointerType === POINTER_TYPE_PEN || event.pointerType === POINTER_TYPE_TOUCH);\n }\n\n // Static\n static isSupported() {\n return 'ontouchstart' in document.documentElement || navigator.maxTouchPoints > 0;\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap carousel.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$c = 'carousel';\nconst DATA_KEY$8 = 'bs.carousel';\nconst EVENT_KEY$8 = `.${DATA_KEY$8}`;\nconst DATA_API_KEY$5 = '.data-api';\nconst ARROW_LEFT_KEY$1 = 'ArrowLeft';\nconst ARROW_RIGHT_KEY$1 = 'ArrowRight';\nconst TOUCHEVENT_COMPAT_WAIT = 500; // Time for mouse compat events to fire after touch\n\nconst ORDER_NEXT = 'next';\nconst ORDER_PREV = 'prev';\nconst DIRECTION_LEFT = 'left';\nconst DIRECTION_RIGHT = 'right';\nconst EVENT_SLIDE = `slide${EVENT_KEY$8}`;\nconst EVENT_SLID = `slid${EVENT_KEY$8}`;\nconst EVENT_KEYDOWN$1 = `keydown${EVENT_KEY$8}`;\nconst EVENT_MOUSEENTER$1 = `mouseenter${EVENT_KEY$8}`;\nconst EVENT_MOUSELEAVE$1 = `mouseleave${EVENT_KEY$8}`;\nconst EVENT_DRAG_START = `dragstart${EVENT_KEY$8}`;\nconst EVENT_LOAD_DATA_API$3 = `load${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst EVENT_CLICK_DATA_API$5 = `click${EVENT_KEY$8}${DATA_API_KEY$5}`;\nconst CLASS_NAME_CAROUSEL = 'carousel';\nconst CLASS_NAME_ACTIVE$2 = 'active';\nconst CLASS_NAME_SLIDE = 'slide';\nconst CLASS_NAME_END = 'carousel-item-end';\nconst CLASS_NAME_START = 'carousel-item-start';\nconst CLASS_NAME_NEXT = 'carousel-item-next';\nconst CLASS_NAME_PREV = 'carousel-item-prev';\nconst SELECTOR_ACTIVE = '.active';\nconst SELECTOR_ITEM = '.carousel-item';\nconst SELECTOR_ACTIVE_ITEM = SELECTOR_ACTIVE + SELECTOR_ITEM;\nconst SELECTOR_ITEM_IMG = '.carousel-item img';\nconst SELECTOR_INDICATORS = '.carousel-indicators';\nconst SELECTOR_DATA_SLIDE = '[data-bs-slide], [data-bs-slide-to]';\nconst SELECTOR_DATA_RIDE = '[data-bs-ride=\"carousel\"]';\nconst KEY_TO_DIRECTION = {\n [ARROW_LEFT_KEY$1]: DIRECTION_RIGHT,\n [ARROW_RIGHT_KEY$1]: DIRECTION_LEFT\n};\nconst Default$b = {\n interval: 5000,\n keyboard: true,\n pause: 'hover',\n ride: false,\n touch: true,\n wrap: true\n};\nconst DefaultType$b = {\n interval: '(number|boolean)',\n // TODO:v6 remove boolean support\n keyboard: 'boolean',\n pause: '(string|boolean)',\n ride: '(boolean|string)',\n touch: 'boolean',\n wrap: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Carousel extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n this._interval = null;\n this._activeElement = null;\n this._isSliding = false;\n this.touchTimeout = null;\n this._swipeHelper = null;\n this._indicatorsElement = SelectorEngine.findOne(SELECTOR_INDICATORS, this._element);\n this._addEventListeners();\n if (this._config.ride === CLASS_NAME_CAROUSEL) {\n this.cycle();\n }\n }\n\n // Getters\n static get Default() {\n return Default$b;\n }\n static get DefaultType() {\n return DefaultType$b;\n }\n static get NAME() {\n return NAME$c;\n }\n\n // Public\n next() {\n this._slide(ORDER_NEXT);\n }\n nextWhenVisible() {\n // FIXME TODO use `document.visibilityState`\n // Don't call next when the page isn't visible\n // or the carousel or its parent isn't visible\n if (!document.hidden && isVisible(this._element)) {\n this.next();\n }\n }\n prev() {\n this._slide(ORDER_PREV);\n }\n pause() {\n if (this._isSliding) {\n triggerTransitionEnd(this._element);\n }\n this._clearInterval();\n }\n cycle() {\n this._clearInterval();\n this._updateInterval();\n this._interval = setInterval(() => this.nextWhenVisible(), this._config.interval);\n }\n _maybeEnableCycle() {\n if (!this._config.ride) {\n return;\n }\n if (this._isSliding) {\n EventHandler.one(this._element, EVENT_SLID, () => this.cycle());\n return;\n }\n this.cycle();\n }\n to(index) {\n const items = this._getItems();\n if (index > items.length - 1 || index < 0) {\n return;\n }\n if (this._isSliding) {\n EventHandler.one(this._element, EVENT_SLID, () => this.to(index));\n return;\n }\n const activeIndex = this._getItemIndex(this._getActive());\n if (activeIndex === index) {\n return;\n }\n const order = index > activeIndex ? ORDER_NEXT : ORDER_PREV;\n this._slide(order, items[index]);\n }\n dispose() {\n if (this._swipeHelper) {\n this._swipeHelper.dispose();\n }\n super.dispose();\n }\n\n // Private\n _configAfterMerge(config) {\n config.defaultInterval = config.interval;\n return config;\n }\n _addEventListeners() {\n if (this._config.keyboard) {\n EventHandler.on(this._element, EVENT_KEYDOWN$1, event => this._keydown(event));\n }\n if (this._config.pause === 'hover') {\n EventHandler.on(this._element, EVENT_MOUSEENTER$1, () => this.pause());\n EventHandler.on(this._element, EVENT_MOUSELEAVE$1, () => this._maybeEnableCycle());\n }\n if (this._config.touch && Swipe.isSupported()) {\n this._addTouchEventListeners();\n }\n }\n _addTouchEventListeners() {\n for (const img of SelectorEngine.find(SELECTOR_ITEM_IMG, this._element)) {\n EventHandler.on(img, EVENT_DRAG_START, event => event.preventDefault());\n }\n const endCallBack = () => {\n if (this._config.pause !== 'hover') {\n return;\n }\n\n // If it's a touch-enabled device, mouseenter/leave are fired as\n // part of the mouse compatibility events on first tap - the carousel\n // would stop cycling until user tapped out of it;\n // here, we listen for touchend, explicitly pause the carousel\n // (as if it's the second time we tap on it, mouseenter compat event\n // is NOT fired) and after a timeout (to allow for mouse compatibility\n // events to fire) we explicitly restart cycling\n\n this.pause();\n if (this.touchTimeout) {\n clearTimeout(this.touchTimeout);\n }\n this.touchTimeout = setTimeout(() => this._maybeEnableCycle(), TOUCHEVENT_COMPAT_WAIT + this._config.interval);\n };\n const swipeConfig = {\n leftCallback: () => this._slide(this._directionToOrder(DIRECTION_LEFT)),\n rightCallback: () => this._slide(this._directionToOrder(DIRECTION_RIGHT)),\n endCallback: endCallBack\n };\n this._swipeHelper = new Swipe(this._element, swipeConfig);\n }\n _keydown(event) {\n if (/input|textarea/i.test(event.target.tagName)) {\n return;\n }\n const direction = KEY_TO_DIRECTION[event.key];\n if (direction) {\n event.preventDefault();\n this._slide(this._directionToOrder(direction));\n }\n }\n _getItemIndex(element) {\n return this._getItems().indexOf(element);\n }\n _setActiveIndicatorElement(index) {\n if (!this._indicatorsElement) {\n return;\n }\n const activeIndicator = SelectorEngine.findOne(SELECTOR_ACTIVE, this._indicatorsElement);\n activeIndicator.classList.remove(CLASS_NAME_ACTIVE$2);\n activeIndicator.removeAttribute('aria-current');\n const newActiveIndicator = SelectorEngine.findOne(`[data-bs-slide-to=\"${index}\"]`, this._indicatorsElement);\n if (newActiveIndicator) {\n newActiveIndicator.classList.add(CLASS_NAME_ACTIVE$2);\n newActiveIndicator.setAttribute('aria-current', 'true');\n }\n }\n _updateInterval() {\n const element = this._activeElement || this._getActive();\n if (!element) {\n return;\n }\n const elementInterval = Number.parseInt(element.getAttribute('data-bs-interval'), 10);\n this._config.interval = elementInterval || this._config.defaultInterval;\n }\n _slide(order, element = null) {\n if (this._isSliding) {\n return;\n }\n const activeElement = this._getActive();\n const isNext = order === ORDER_NEXT;\n const nextElement = element || getNextActiveElement(this._getItems(), activeElement, isNext, this._config.wrap);\n if (nextElement === activeElement) {\n return;\n }\n const nextElementIndex = this._getItemIndex(nextElement);\n const triggerEvent = eventName => {\n return EventHandler.trigger(this._element, eventName, {\n relatedTarget: nextElement,\n direction: this._orderToDirection(order),\n from: this._getItemIndex(activeElement),\n to: nextElementIndex\n });\n };\n const slideEvent = triggerEvent(EVENT_SLIDE);\n if (slideEvent.defaultPrevented) {\n return;\n }\n if (!activeElement || !nextElement) {\n // Some weirdness is happening, so we bail\n // TODO: change tests that use empty divs to avoid this check\n return;\n }\n const isCycling = Boolean(this._interval);\n this.pause();\n this._isSliding = true;\n this._setActiveIndicatorElement(nextElementIndex);\n this._activeElement = nextElement;\n const directionalClassName = isNext ? CLASS_NAME_START : CLASS_NAME_END;\n const orderClassName = isNext ? CLASS_NAME_NEXT : CLASS_NAME_PREV;\n nextElement.classList.add(orderClassName);\n reflow(nextElement);\n activeElement.classList.add(directionalClassName);\n nextElement.classList.add(directionalClassName);\n const completeCallBack = () => {\n nextElement.classList.remove(directionalClassName, orderClassName);\n nextElement.classList.add(CLASS_NAME_ACTIVE$2);\n activeElement.classList.remove(CLASS_NAME_ACTIVE$2, orderClassName, directionalClassName);\n this._isSliding = false;\n triggerEvent(EVENT_SLID);\n };\n this._queueCallback(completeCallBack, activeElement, this._isAnimated());\n if (isCycling) {\n this.cycle();\n }\n }\n _isAnimated() {\n return this._element.classList.contains(CLASS_NAME_SLIDE);\n }\n _getActive() {\n return SelectorEngine.findOne(SELECTOR_ACTIVE_ITEM, this._element);\n }\n _getItems() {\n return SelectorEngine.find(SELECTOR_ITEM, this._element);\n }\n _clearInterval() {\n if (this._interval) {\n clearInterval(this._interval);\n this._interval = null;\n }\n }\n _directionToOrder(direction) {\n if (isRTL()) {\n return direction === DIRECTION_LEFT ? ORDER_PREV : ORDER_NEXT;\n }\n return direction === DIRECTION_LEFT ? ORDER_NEXT : ORDER_PREV;\n }\n _orderToDirection(order) {\n if (isRTL()) {\n return order === ORDER_PREV ? DIRECTION_LEFT : DIRECTION_RIGHT;\n }\n return order === ORDER_PREV ? DIRECTION_RIGHT : DIRECTION_LEFT;\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Carousel.getOrCreateInstance(this, config);\n if (typeof config === 'number') {\n data.to(config);\n return;\n }\n if (typeof config === 'string') {\n if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config]();\n }\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$5, SELECTOR_DATA_SLIDE, function (event) {\n const target = SelectorEngine.getElementFromSelector(this);\n if (!target || !target.classList.contains(CLASS_NAME_CAROUSEL)) {\n return;\n }\n event.preventDefault();\n const carousel = Carousel.getOrCreateInstance(target);\n const slideIndex = this.getAttribute('data-bs-slide-to');\n if (slideIndex) {\n carousel.to(slideIndex);\n carousel._maybeEnableCycle();\n return;\n }\n if (Manipulator.getDataAttribute(this, 'slide') === 'next') {\n carousel.next();\n carousel._maybeEnableCycle();\n return;\n }\n carousel.prev();\n carousel._maybeEnableCycle();\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$3, () => {\n const carousels = SelectorEngine.find(SELECTOR_DATA_RIDE);\n for (const carousel of carousels) {\n Carousel.getOrCreateInstance(carousel);\n }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Carousel);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap collapse.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$b = 'collapse';\nconst DATA_KEY$7 = 'bs.collapse';\nconst EVENT_KEY$7 = `.${DATA_KEY$7}`;\nconst DATA_API_KEY$4 = '.data-api';\nconst EVENT_SHOW$6 = `show${EVENT_KEY$7}`;\nconst EVENT_SHOWN$6 = `shown${EVENT_KEY$7}`;\nconst EVENT_HIDE$6 = `hide${EVENT_KEY$7}`;\nconst EVENT_HIDDEN$6 = `hidden${EVENT_KEY$7}`;\nconst EVENT_CLICK_DATA_API$4 = `click${EVENT_KEY$7}${DATA_API_KEY$4}`;\nconst CLASS_NAME_SHOW$7 = 'show';\nconst CLASS_NAME_COLLAPSE = 'collapse';\nconst CLASS_NAME_COLLAPSING = 'collapsing';\nconst CLASS_NAME_COLLAPSED = 'collapsed';\nconst CLASS_NAME_DEEPER_CHILDREN = `:scope .${CLASS_NAME_COLLAPSE} .${CLASS_NAME_COLLAPSE}`;\nconst CLASS_NAME_HORIZONTAL = 'collapse-horizontal';\nconst WIDTH = 'width';\nconst HEIGHT = 'height';\nconst SELECTOR_ACTIVES = '.collapse.show, .collapse.collapsing';\nconst SELECTOR_DATA_TOGGLE$4 = '[data-bs-toggle=\"collapse\"]';\nconst Default$a = {\n parent: null,\n toggle: true\n};\nconst DefaultType$a = {\n parent: '(null|element)',\n toggle: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Collapse extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n this._isTransitioning = false;\n this._triggerArray = [];\n const toggleList = SelectorEngine.find(SELECTOR_DATA_TOGGLE$4);\n for (const elem of toggleList) {\n const selector = SelectorEngine.getSelectorFromElement(elem);\n const filterElement = SelectorEngine.find(selector).filter(foundElement => foundElement === this._element);\n if (selector !== null && filterElement.length) {\n this._triggerArray.push(elem);\n }\n }\n this._initializeChildren();\n if (!this._config.parent) {\n this._addAriaAndCollapsedClass(this._triggerArray, this._isShown());\n }\n if (this._config.toggle) {\n this.toggle();\n }\n }\n\n // Getters\n static get Default() {\n return Default$a;\n }\n static get DefaultType() {\n return DefaultType$a;\n }\n static get NAME() {\n return NAME$b;\n }\n\n // Public\n toggle() {\n if (this._isShown()) {\n this.hide();\n } else {\n this.show();\n }\n }\n show() {\n if (this._isTransitioning || this._isShown()) {\n return;\n }\n let activeChildren = [];\n\n // find active children\n if (this._config.parent) {\n activeChildren = this._getFirstLevelChildren(SELECTOR_ACTIVES).filter(element => element !== this._element).map(element => Collapse.getOrCreateInstance(element, {\n toggle: false\n }));\n }\n if (activeChildren.length && activeChildren[0]._isTransitioning) {\n return;\n }\n const startEvent = EventHandler.trigger(this._element, EVENT_SHOW$6);\n if (startEvent.defaultPrevented) {\n return;\n }\n for (const activeInstance of activeChildren) {\n activeInstance.hide();\n }\n const dimension = this._getDimension();\n this._element.classList.remove(CLASS_NAME_COLLAPSE);\n this._element.classList.add(CLASS_NAME_COLLAPSING);\n this._element.style[dimension] = 0;\n this._addAriaAndCollapsedClass(this._triggerArray, true);\n this._isTransitioning = true;\n const complete = () => {\n this._isTransitioning = false;\n this._element.classList.remove(CLASS_NAME_COLLAPSING);\n this._element.classList.add(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n this._element.style[dimension] = '';\n EventHandler.trigger(this._element, EVENT_SHOWN$6);\n };\n const capitalizedDimension = dimension[0].toUpperCase() + dimension.slice(1);\n const scrollSize = `scroll${capitalizedDimension}`;\n this._queueCallback(complete, this._element, true);\n this._element.style[dimension] = `${this._element[scrollSize]}px`;\n }\n hide() {\n if (this._isTransitioning || !this._isShown()) {\n return;\n }\n const startEvent = EventHandler.trigger(this._element, EVENT_HIDE$6);\n if (startEvent.defaultPrevented) {\n return;\n }\n const dimension = this._getDimension();\n this._element.style[dimension] = `${this._element.getBoundingClientRect()[dimension]}px`;\n reflow(this._element);\n this._element.classList.add(CLASS_NAME_COLLAPSING);\n this._element.classList.remove(CLASS_NAME_COLLAPSE, CLASS_NAME_SHOW$7);\n for (const trigger of this._triggerArray) {\n const element = SelectorEngine.getElementFromSelector(trigger);\n if (element && !this._isShown(element)) {\n this._addAriaAndCollapsedClass([trigger], false);\n }\n }\n this._isTransitioning = true;\n const complete = () => {\n this._isTransitioning = false;\n this._element.classList.remove(CLASS_NAME_COLLAPSING);\n this._element.classList.add(CLASS_NAME_COLLAPSE);\n EventHandler.trigger(this._element, EVENT_HIDDEN$6);\n };\n this._element.style[dimension] = '';\n this._queueCallback(complete, this._element, true);\n }\n _isShown(element = this._element) {\n return element.classList.contains(CLASS_NAME_SHOW$7);\n }\n\n // Private\n _configAfterMerge(config) {\n config.toggle = Boolean(config.toggle); // Coerce string values\n config.parent = getElement(config.parent);\n return config;\n }\n _getDimension() {\n return this._element.classList.contains(CLASS_NAME_HORIZONTAL) ? WIDTH : HEIGHT;\n }\n _initializeChildren() {\n if (!this._config.parent) {\n return;\n }\n const children = this._getFirstLevelChildren(SELECTOR_DATA_TOGGLE$4);\n for (const element of children) {\n const selected = SelectorEngine.getElementFromSelector(element);\n if (selected) {\n this._addAriaAndCollapsedClass([element], this._isShown(selected));\n }\n }\n }\n _getFirstLevelChildren(selector) {\n const children = SelectorEngine.find(CLASS_NAME_DEEPER_CHILDREN, this._config.parent);\n // remove children if greater depth\n return SelectorEngine.find(selector, this._config.parent).filter(element => !children.includes(element));\n }\n _addAriaAndCollapsedClass(triggerArray, isOpen) {\n if (!triggerArray.length) {\n return;\n }\n for (const element of triggerArray) {\n element.classList.toggle(CLASS_NAME_COLLAPSED, !isOpen);\n element.setAttribute('aria-expanded', isOpen);\n }\n }\n\n // Static\n static jQueryInterface(config) {\n const _config = {};\n if (typeof config === 'string' && /show|hide/.test(config)) {\n _config.toggle = false;\n }\n return this.each(function () {\n const data = Collapse.getOrCreateInstance(this, _config);\n if (typeof config === 'string') {\n if (typeof data[config] === 'undefined') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config]();\n }\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$4, SELECTOR_DATA_TOGGLE$4, function (event) {\n // preventDefault only for elements (which change the URL) not inside the collapsible element\n if (event.target.tagName === 'A' || event.delegateTarget && event.delegateTarget.tagName === 'A') {\n event.preventDefault();\n }\n for (const element of SelectorEngine.getMultipleElementsFromSelector(this)) {\n Collapse.getOrCreateInstance(element, {\n toggle: false\n }).toggle();\n }\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Collapse);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap dropdown.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$a = 'dropdown';\nconst DATA_KEY$6 = 'bs.dropdown';\nconst EVENT_KEY$6 = `.${DATA_KEY$6}`;\nconst DATA_API_KEY$3 = '.data-api';\nconst ESCAPE_KEY$2 = 'Escape';\nconst TAB_KEY$1 = 'Tab';\nconst ARROW_UP_KEY$1 = 'ArrowUp';\nconst ARROW_DOWN_KEY$1 = 'ArrowDown';\nconst RIGHT_MOUSE_BUTTON = 2; // MouseEvent.button value for the secondary button, usually the right button\n\nconst EVENT_HIDE$5 = `hide${EVENT_KEY$6}`;\nconst EVENT_HIDDEN$5 = `hidden${EVENT_KEY$6}`;\nconst EVENT_SHOW$5 = `show${EVENT_KEY$6}`;\nconst EVENT_SHOWN$5 = `shown${EVENT_KEY$6}`;\nconst EVENT_CLICK_DATA_API$3 = `click${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYDOWN_DATA_API = `keydown${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst EVENT_KEYUP_DATA_API = `keyup${EVENT_KEY$6}${DATA_API_KEY$3}`;\nconst CLASS_NAME_SHOW$6 = 'show';\nconst CLASS_NAME_DROPUP = 'dropup';\nconst CLASS_NAME_DROPEND = 'dropend';\nconst CLASS_NAME_DROPSTART = 'dropstart';\nconst CLASS_NAME_DROPUP_CENTER = 'dropup-center';\nconst CLASS_NAME_DROPDOWN_CENTER = 'dropdown-center';\nconst SELECTOR_DATA_TOGGLE$3 = '[data-bs-toggle=\"dropdown\"]:not(.disabled):not(:disabled)';\nconst SELECTOR_DATA_TOGGLE_SHOWN = `${SELECTOR_DATA_TOGGLE$3}.${CLASS_NAME_SHOW$6}`;\nconst SELECTOR_MENU = '.dropdown-menu';\nconst SELECTOR_NAVBAR = '.navbar';\nconst SELECTOR_NAVBAR_NAV = '.navbar-nav';\nconst SELECTOR_VISIBLE_ITEMS = '.dropdown-menu .dropdown-item:not(.disabled):not(:disabled)';\nconst PLACEMENT_TOP = isRTL() ? 'top-end' : 'top-start';\nconst PLACEMENT_TOPEND = isRTL() ? 'top-start' : 'top-end';\nconst PLACEMENT_BOTTOM = isRTL() ? 'bottom-end' : 'bottom-start';\nconst PLACEMENT_BOTTOMEND = isRTL() ? 'bottom-start' : 'bottom-end';\nconst PLACEMENT_RIGHT = isRTL() ? 'left-start' : 'right-start';\nconst PLACEMENT_LEFT = isRTL() ? 'right-start' : 'left-start';\nconst PLACEMENT_TOPCENTER = 'top';\nconst PLACEMENT_BOTTOMCENTER = 'bottom';\nconst Default$9 = {\n autoClose: true,\n boundary: 'clippingParents',\n display: 'dynamic',\n offset: [0, 2],\n popperConfig: null,\n reference: 'toggle'\n};\nconst DefaultType$9 = {\n autoClose: '(boolean|string)',\n boundary: '(string|element)',\n display: 'string',\n offset: '(array|string|function)',\n popperConfig: '(null|object|function)',\n reference: '(string|element|object)'\n};\n\n/**\n * Class definition\n */\n\nclass Dropdown extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n this._popper = null;\n this._parent = this._element.parentNode; // dropdown wrapper\n // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n this._menu = SelectorEngine.next(this._element, SELECTOR_MENU)[0] || SelectorEngine.prev(this._element, SELECTOR_MENU)[0] || SelectorEngine.findOne(SELECTOR_MENU, this._parent);\n this._inNavbar = this._detectNavbar();\n }\n\n // Getters\n static get Default() {\n return Default$9;\n }\n static get DefaultType() {\n return DefaultType$9;\n }\n static get NAME() {\n return NAME$a;\n }\n\n // Public\n toggle() {\n return this._isShown() ? this.hide() : this.show();\n }\n show() {\n if (isDisabled(this._element) || this._isShown()) {\n return;\n }\n const relatedTarget = {\n relatedTarget: this._element\n };\n const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$5, relatedTarget);\n if (showEvent.defaultPrevented) {\n return;\n }\n this._createPopper();\n\n // If this is a touch-enabled device we add extra\n // empty mouseover listeners to the body's immediate children;\n // only needed because of broken event delegation on iOS\n // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n if ('ontouchstart' in document.documentElement && !this._parent.closest(SELECTOR_NAVBAR_NAV)) {\n for (const element of [].concat(...document.body.children)) {\n EventHandler.on(element, 'mouseover', noop);\n }\n }\n this._element.focus();\n this._element.setAttribute('aria-expanded', true);\n this._menu.classList.add(CLASS_NAME_SHOW$6);\n this._element.classList.add(CLASS_NAME_SHOW$6);\n EventHandler.trigger(this._element, EVENT_SHOWN$5, relatedTarget);\n }\n hide() {\n if (isDisabled(this._element) || !this._isShown()) {\n return;\n }\n const relatedTarget = {\n relatedTarget: this._element\n };\n this._completeHide(relatedTarget);\n }\n dispose() {\n if (this._popper) {\n this._popper.destroy();\n }\n super.dispose();\n }\n update() {\n this._inNavbar = this._detectNavbar();\n if (this._popper) {\n this._popper.update();\n }\n }\n\n // Private\n _completeHide(relatedTarget) {\n const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$5, relatedTarget);\n if (hideEvent.defaultPrevented) {\n return;\n }\n\n // If this is a touch-enabled device we remove the extra\n // empty mouseover listeners we added for iOS support\n if ('ontouchstart' in document.documentElement) {\n for (const element of [].concat(...document.body.children)) {\n EventHandler.off(element, 'mouseover', noop);\n }\n }\n if (this._popper) {\n this._popper.destroy();\n }\n this._menu.classList.remove(CLASS_NAME_SHOW$6);\n this._element.classList.remove(CLASS_NAME_SHOW$6);\n this._element.setAttribute('aria-expanded', 'false');\n Manipulator.removeDataAttribute(this._menu, 'popper');\n EventHandler.trigger(this._element, EVENT_HIDDEN$5, relatedTarget);\n }\n _getConfig(config) {\n config = super._getConfig(config);\n if (typeof config.reference === 'object' && !isElement(config.reference) && typeof config.reference.getBoundingClientRect !== 'function') {\n // Popper virtual elements require a getBoundingClientRect method\n throw new TypeError(`${NAME$a.toUpperCase()}: Option \"reference\" provided type \"object\" without a required \"getBoundingClientRect\" method.`);\n }\n return config;\n }\n _createPopper() {\n if (typeof Popper === 'undefined') {\n throw new TypeError('Bootstrap\\'s dropdowns require Popper (https://popper.js.org)');\n }\n let referenceElement = this._element;\n if (this._config.reference === 'parent') {\n referenceElement = this._parent;\n } else if (isElement(this._config.reference)) {\n referenceElement = getElement(this._config.reference);\n } else if (typeof this._config.reference === 'object') {\n referenceElement = this._config.reference;\n }\n const popperConfig = this._getPopperConfig();\n this._popper = Popper.createPopper(referenceElement, this._menu, popperConfig);\n }\n _isShown() {\n return this._menu.classList.contains(CLASS_NAME_SHOW$6);\n }\n _getPlacement() {\n const parentDropdown = this._parent;\n if (parentDropdown.classList.contains(CLASS_NAME_DROPEND)) {\n return PLACEMENT_RIGHT;\n }\n if (parentDropdown.classList.contains(CLASS_NAME_DROPSTART)) {\n return PLACEMENT_LEFT;\n }\n if (parentDropdown.classList.contains(CLASS_NAME_DROPUP_CENTER)) {\n return PLACEMENT_TOPCENTER;\n }\n if (parentDropdown.classList.contains(CLASS_NAME_DROPDOWN_CENTER)) {\n return PLACEMENT_BOTTOMCENTER;\n }\n\n // We need to trim the value because custom properties can also include spaces\n const isEnd = getComputedStyle(this._menu).getPropertyValue('--bs-position').trim() === 'end';\n if (parentDropdown.classList.contains(CLASS_NAME_DROPUP)) {\n return isEnd ? PLACEMENT_TOPEND : PLACEMENT_TOP;\n }\n return isEnd ? PLACEMENT_BOTTOMEND : PLACEMENT_BOTTOM;\n }\n _detectNavbar() {\n return this._element.closest(SELECTOR_NAVBAR) !== null;\n }\n _getOffset() {\n const {\n offset\n } = this._config;\n if (typeof offset === 'string') {\n return offset.split(',').map(value => Number.parseInt(value, 10));\n }\n if (typeof offset === 'function') {\n return popperData => offset(popperData, this._element);\n }\n return offset;\n }\n _getPopperConfig() {\n const defaultBsPopperConfig = {\n placement: this._getPlacement(),\n modifiers: [{\n name: 'preventOverflow',\n options: {\n boundary: this._config.boundary\n }\n }, {\n name: 'offset',\n options: {\n offset: this._getOffset()\n }\n }]\n };\n\n // Disable Popper if we have a static display or Dropdown is in Navbar\n if (this._inNavbar || this._config.display === 'static') {\n Manipulator.setDataAttribute(this._menu, 'popper', 'static'); // TODO: v6 remove\n defaultBsPopperConfig.modifiers = [{\n name: 'applyStyles',\n enabled: false\n }];\n }\n return {\n ...defaultBsPopperConfig,\n ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n };\n }\n _selectMenuItem({\n key,\n target\n }) {\n const items = SelectorEngine.find(SELECTOR_VISIBLE_ITEMS, this._menu).filter(element => isVisible(element));\n if (!items.length) {\n return;\n }\n\n // if target isn't included in items (e.g. when expanding the dropdown)\n // allow cycling to get the last item in case key equals ARROW_UP_KEY\n getNextActiveElement(items, target, key === ARROW_DOWN_KEY$1, !items.includes(target)).focus();\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Dropdown.getOrCreateInstance(this, config);\n if (typeof config !== 'string') {\n return;\n }\n if (typeof data[config] === 'undefined') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config]();\n });\n }\n static clearMenus(event) {\n if (event.button === RIGHT_MOUSE_BUTTON || event.type === 'keyup' && event.key !== TAB_KEY$1) {\n return;\n }\n const openToggles = SelectorEngine.find(SELECTOR_DATA_TOGGLE_SHOWN);\n for (const toggle of openToggles) {\n const context = Dropdown.getInstance(toggle);\n if (!context || context._config.autoClose === false) {\n continue;\n }\n const composedPath = event.composedPath();\n const isMenuTarget = composedPath.includes(context._menu);\n if (composedPath.includes(context._element) || context._config.autoClose === 'inside' && !isMenuTarget || context._config.autoClose === 'outside' && isMenuTarget) {\n continue;\n }\n\n // Tab navigation through the dropdown menu or events from contained inputs shouldn't close the menu\n if (context._menu.contains(event.target) && (event.type === 'keyup' && event.key === TAB_KEY$1 || /input|select|option|textarea|form/i.test(event.target.tagName))) {\n continue;\n }\n const relatedTarget = {\n relatedTarget: context._element\n };\n if (event.type === 'click') {\n relatedTarget.clickEvent = event;\n }\n context._completeHide(relatedTarget);\n }\n }\n static dataApiKeydownHandler(event) {\n // If not an UP | DOWN | ESCAPE key => not a dropdown command\n // If input/textarea && if key is other than ESCAPE => not a dropdown command\n\n const isInput = /input|textarea/i.test(event.target.tagName);\n const isEscapeEvent = event.key === ESCAPE_KEY$2;\n const isUpOrDownEvent = [ARROW_UP_KEY$1, ARROW_DOWN_KEY$1].includes(event.key);\n if (!isUpOrDownEvent && !isEscapeEvent) {\n return;\n }\n if (isInput && !isEscapeEvent) {\n return;\n }\n event.preventDefault();\n\n // TODO: v6 revert #37011 & change markup https://getbootstrap.com/docs/5.3/forms/input-group/\n const getToggleButton = this.matches(SELECTOR_DATA_TOGGLE$3) ? this : SelectorEngine.prev(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.next(this, SELECTOR_DATA_TOGGLE$3)[0] || SelectorEngine.findOne(SELECTOR_DATA_TOGGLE$3, event.delegateTarget.parentNode);\n const instance = Dropdown.getOrCreateInstance(getToggleButton);\n if (isUpOrDownEvent) {\n event.stopPropagation();\n instance.show();\n instance._selectMenuItem(event);\n return;\n }\n if (instance._isShown()) {\n // else is escape and we check if it is shown\n event.stopPropagation();\n instance.hide();\n getToggleButton.focus();\n }\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_DATA_TOGGLE$3, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_KEYDOWN_DATA_API, SELECTOR_MENU, Dropdown.dataApiKeydownHandler);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_KEYUP_DATA_API, Dropdown.clearMenus);\nEventHandler.on(document, EVENT_CLICK_DATA_API$3, SELECTOR_DATA_TOGGLE$3, function (event) {\n event.preventDefault();\n Dropdown.getOrCreateInstance(this).toggle();\n});\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Dropdown);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/backdrop.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$9 = 'backdrop';\nconst CLASS_NAME_FADE$4 = 'fade';\nconst CLASS_NAME_SHOW$5 = 'show';\nconst EVENT_MOUSEDOWN = `mousedown.bs.${NAME$9}`;\nconst Default$8 = {\n className: 'modal-backdrop',\n clickCallback: null,\n isAnimated: false,\n isVisible: true,\n // if false, we use the backdrop helper without adding any element to the dom\n rootElement: 'body' // give the choice to place backdrop under different elements\n};\n\nconst DefaultType$8 = {\n className: 'string',\n clickCallback: '(function|null)',\n isAnimated: 'boolean',\n isVisible: 'boolean',\n rootElement: '(element|string)'\n};\n\n/**\n * Class definition\n */\n\nclass Backdrop extends Config {\n constructor(config) {\n super();\n this._config = this._getConfig(config);\n this._isAppended = false;\n this._element = null;\n }\n\n // Getters\n static get Default() {\n return Default$8;\n }\n static get DefaultType() {\n return DefaultType$8;\n }\n static get NAME() {\n return NAME$9;\n }\n\n // Public\n show(callback) {\n if (!this._config.isVisible) {\n execute(callback);\n return;\n }\n this._append();\n const element = this._getElement();\n if (this._config.isAnimated) {\n reflow(element);\n }\n element.classList.add(CLASS_NAME_SHOW$5);\n this._emulateAnimation(() => {\n execute(callback);\n });\n }\n hide(callback) {\n if (!this._config.isVisible) {\n execute(callback);\n return;\n }\n this._getElement().classList.remove(CLASS_NAME_SHOW$5);\n this._emulateAnimation(() => {\n this.dispose();\n execute(callback);\n });\n }\n dispose() {\n if (!this._isAppended) {\n return;\n }\n EventHandler.off(this._element, EVENT_MOUSEDOWN);\n this._element.remove();\n this._isAppended = false;\n }\n\n // Private\n _getElement() {\n if (!this._element) {\n const backdrop = document.createElement('div');\n backdrop.className = this._config.className;\n if (this._config.isAnimated) {\n backdrop.classList.add(CLASS_NAME_FADE$4);\n }\n this._element = backdrop;\n }\n return this._element;\n }\n _configAfterMerge(config) {\n // use getElement() with the default \"body\" to get a fresh Element on each instantiation\n config.rootElement = getElement(config.rootElement);\n return config;\n }\n _append() {\n if (this._isAppended) {\n return;\n }\n const element = this._getElement();\n this._config.rootElement.append(element);\n EventHandler.on(element, EVENT_MOUSEDOWN, () => {\n execute(this._config.clickCallback);\n });\n this._isAppended = true;\n }\n _emulateAnimation(callback) {\n executeAfterTransition(callback, this._getElement(), this._config.isAnimated);\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/focustrap.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$8 = 'focustrap';\nconst DATA_KEY$5 = 'bs.focustrap';\nconst EVENT_KEY$5 = `.${DATA_KEY$5}`;\nconst EVENT_FOCUSIN$2 = `focusin${EVENT_KEY$5}`;\nconst EVENT_KEYDOWN_TAB = `keydown.tab${EVENT_KEY$5}`;\nconst TAB_KEY = 'Tab';\nconst TAB_NAV_FORWARD = 'forward';\nconst TAB_NAV_BACKWARD = 'backward';\nconst Default$7 = {\n autofocus: true,\n trapElement: null // The element to trap focus inside of\n};\n\nconst DefaultType$7 = {\n autofocus: 'boolean',\n trapElement: 'element'\n};\n\n/**\n * Class definition\n */\n\nclass FocusTrap extends Config {\n constructor(config) {\n super();\n this._config = this._getConfig(config);\n this._isActive = false;\n this._lastTabNavDirection = null;\n }\n\n // Getters\n static get Default() {\n return Default$7;\n }\n static get DefaultType() {\n return DefaultType$7;\n }\n static get NAME() {\n return NAME$8;\n }\n\n // Public\n activate() {\n if (this._isActive) {\n return;\n }\n if (this._config.autofocus) {\n this._config.trapElement.focus();\n }\n EventHandler.off(document, EVENT_KEY$5); // guard against infinite focus loop\n EventHandler.on(document, EVENT_FOCUSIN$2, event => this._handleFocusin(event));\n EventHandler.on(document, EVENT_KEYDOWN_TAB, event => this._handleKeydown(event));\n this._isActive = true;\n }\n deactivate() {\n if (!this._isActive) {\n return;\n }\n this._isActive = false;\n EventHandler.off(document, EVENT_KEY$5);\n }\n\n // Private\n _handleFocusin(event) {\n const {\n trapElement\n } = this._config;\n if (event.target === document || event.target === trapElement || trapElement.contains(event.target)) {\n return;\n }\n const elements = SelectorEngine.focusableChildren(trapElement);\n if (elements.length === 0) {\n trapElement.focus();\n } else if (this._lastTabNavDirection === TAB_NAV_BACKWARD) {\n elements[elements.length - 1].focus();\n } else {\n elements[0].focus();\n }\n }\n _handleKeydown(event) {\n if (event.key !== TAB_KEY) {\n return;\n }\n this._lastTabNavDirection = event.shiftKey ? TAB_NAV_BACKWARD : TAB_NAV_FORWARD;\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/scrollBar.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst SELECTOR_FIXED_CONTENT = '.fixed-top, .fixed-bottom, .is-fixed, .sticky-top';\nconst SELECTOR_STICKY_CONTENT = '.sticky-top';\nconst PROPERTY_PADDING = 'padding-right';\nconst PROPERTY_MARGIN = 'margin-right';\n\n/**\n * Class definition\n */\n\nclass ScrollBarHelper {\n constructor() {\n this._element = document.body;\n }\n\n // Public\n getWidth() {\n // https://developer.mozilla.org/en-US/docs/Web/API/Window/innerWidth#usage_notes\n const documentWidth = document.documentElement.clientWidth;\n return Math.abs(window.innerWidth - documentWidth);\n }\n hide() {\n const width = this.getWidth();\n this._disableOverFlow();\n // give padding to element to balance the hidden scrollbar width\n this._setElementAttributes(this._element, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n // trick: We adjust positive paddingRight and negative marginRight to sticky-top elements to keep showing fullwidth\n this._setElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING, calculatedValue => calculatedValue + width);\n this._setElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN, calculatedValue => calculatedValue - width);\n }\n reset() {\n this._resetElementAttributes(this._element, 'overflow');\n this._resetElementAttributes(this._element, PROPERTY_PADDING);\n this._resetElementAttributes(SELECTOR_FIXED_CONTENT, PROPERTY_PADDING);\n this._resetElementAttributes(SELECTOR_STICKY_CONTENT, PROPERTY_MARGIN);\n }\n isOverflowing() {\n return this.getWidth() > 0;\n }\n\n // Private\n _disableOverFlow() {\n this._saveInitialAttribute(this._element, 'overflow');\n this._element.style.overflow = 'hidden';\n }\n _setElementAttributes(selector, styleProperty, callback) {\n const scrollbarWidth = this.getWidth();\n const manipulationCallBack = element => {\n if (element !== this._element && window.innerWidth > element.clientWidth + scrollbarWidth) {\n return;\n }\n this._saveInitialAttribute(element, styleProperty);\n const calculatedValue = window.getComputedStyle(element).getPropertyValue(styleProperty);\n element.style.setProperty(styleProperty, `${callback(Number.parseFloat(calculatedValue))}px`);\n };\n this._applyManipulationCallback(selector, manipulationCallBack);\n }\n _saveInitialAttribute(element, styleProperty) {\n const actualValue = element.style.getPropertyValue(styleProperty);\n if (actualValue) {\n Manipulator.setDataAttribute(element, styleProperty, actualValue);\n }\n }\n _resetElementAttributes(selector, styleProperty) {\n const manipulationCallBack = element => {\n const value = Manipulator.getDataAttribute(element, styleProperty);\n // We only want to remove the property if the value is `null`; the value can also be zero\n if (value === null) {\n element.style.removeProperty(styleProperty);\n return;\n }\n Manipulator.removeDataAttribute(element, styleProperty);\n element.style.setProperty(styleProperty, value);\n };\n this._applyManipulationCallback(selector, manipulationCallBack);\n }\n _applyManipulationCallback(selector, callBack) {\n if (isElement(selector)) {\n callBack(selector);\n return;\n }\n for (const sel of SelectorEngine.find(selector, this._element)) {\n callBack(sel);\n }\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap modal.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$7 = 'modal';\nconst DATA_KEY$4 = 'bs.modal';\nconst EVENT_KEY$4 = `.${DATA_KEY$4}`;\nconst DATA_API_KEY$2 = '.data-api';\nconst ESCAPE_KEY$1 = 'Escape';\nconst EVENT_HIDE$4 = `hide${EVENT_KEY$4}`;\nconst EVENT_HIDE_PREVENTED$1 = `hidePrevented${EVENT_KEY$4}`;\nconst EVENT_HIDDEN$4 = `hidden${EVENT_KEY$4}`;\nconst EVENT_SHOW$4 = `show${EVENT_KEY$4}`;\nconst EVENT_SHOWN$4 = `shown${EVENT_KEY$4}`;\nconst EVENT_RESIZE$1 = `resize${EVENT_KEY$4}`;\nconst EVENT_CLICK_DISMISS = `click.dismiss${EVENT_KEY$4}`;\nconst EVENT_MOUSEDOWN_DISMISS = `mousedown.dismiss${EVENT_KEY$4}`;\nconst EVENT_KEYDOWN_DISMISS$1 = `keydown.dismiss${EVENT_KEY$4}`;\nconst EVENT_CLICK_DATA_API$2 = `click${EVENT_KEY$4}${DATA_API_KEY$2}`;\nconst CLASS_NAME_OPEN = 'modal-open';\nconst CLASS_NAME_FADE$3 = 'fade';\nconst CLASS_NAME_SHOW$4 = 'show';\nconst CLASS_NAME_STATIC = 'modal-static';\nconst OPEN_SELECTOR$1 = '.modal.show';\nconst SELECTOR_DIALOG = '.modal-dialog';\nconst SELECTOR_MODAL_BODY = '.modal-body';\nconst SELECTOR_DATA_TOGGLE$2 = '[data-bs-toggle=\"modal\"]';\nconst Default$6 = {\n backdrop: true,\n focus: true,\n keyboard: true\n};\nconst DefaultType$6 = {\n backdrop: '(boolean|string)',\n focus: 'boolean',\n keyboard: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Modal extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n this._dialog = SelectorEngine.findOne(SELECTOR_DIALOG, this._element);\n this._backdrop = this._initializeBackDrop();\n this._focustrap = this._initializeFocusTrap();\n this._isShown = false;\n this._isTransitioning = false;\n this._scrollBar = new ScrollBarHelper();\n this._addEventListeners();\n }\n\n // Getters\n static get Default() {\n return Default$6;\n }\n static get DefaultType() {\n return DefaultType$6;\n }\n static get NAME() {\n return NAME$7;\n }\n\n // Public\n toggle(relatedTarget) {\n return this._isShown ? this.hide() : this.show(relatedTarget);\n }\n show(relatedTarget) {\n if (this._isShown || this._isTransitioning) {\n return;\n }\n const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$4, {\n relatedTarget\n });\n if (showEvent.defaultPrevented) {\n return;\n }\n this._isShown = true;\n this._isTransitioning = true;\n this._scrollBar.hide();\n document.body.classList.add(CLASS_NAME_OPEN);\n this._adjustDialog();\n this._backdrop.show(() => this._showElement(relatedTarget));\n }\n hide() {\n if (!this._isShown || this._isTransitioning) {\n return;\n }\n const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$4);\n if (hideEvent.defaultPrevented) {\n return;\n }\n this._isShown = false;\n this._isTransitioning = true;\n this._focustrap.deactivate();\n this._element.classList.remove(CLASS_NAME_SHOW$4);\n this._queueCallback(() => this._hideModal(), this._element, this._isAnimated());\n }\n dispose() {\n EventHandler.off(window, EVENT_KEY$4);\n EventHandler.off(this._dialog, EVENT_KEY$4);\n this._backdrop.dispose();\n this._focustrap.deactivate();\n super.dispose();\n }\n handleUpdate() {\n this._adjustDialog();\n }\n\n // Private\n _initializeBackDrop() {\n return new Backdrop({\n isVisible: Boolean(this._config.backdrop),\n // 'static' option will be translated to true, and booleans will keep their value,\n isAnimated: this._isAnimated()\n });\n }\n _initializeFocusTrap() {\n return new FocusTrap({\n trapElement: this._element\n });\n }\n _showElement(relatedTarget) {\n // try to append dynamic modal\n if (!document.body.contains(this._element)) {\n document.body.append(this._element);\n }\n this._element.style.display = 'block';\n this._element.removeAttribute('aria-hidden');\n this._element.setAttribute('aria-modal', true);\n this._element.setAttribute('role', 'dialog');\n this._element.scrollTop = 0;\n const modalBody = SelectorEngine.findOne(SELECTOR_MODAL_BODY, this._dialog);\n if (modalBody) {\n modalBody.scrollTop = 0;\n }\n reflow(this._element);\n this._element.classList.add(CLASS_NAME_SHOW$4);\n const transitionComplete = () => {\n if (this._config.focus) {\n this._focustrap.activate();\n }\n this._isTransitioning = false;\n EventHandler.trigger(this._element, EVENT_SHOWN$4, {\n relatedTarget\n });\n };\n this._queueCallback(transitionComplete, this._dialog, this._isAnimated());\n }\n _addEventListeners() {\n EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS$1, event => {\n if (event.key !== ESCAPE_KEY$1) {\n return;\n }\n if (this._config.keyboard) {\n this.hide();\n return;\n }\n this._triggerBackdropTransition();\n });\n EventHandler.on(window, EVENT_RESIZE$1, () => {\n if (this._isShown && !this._isTransitioning) {\n this._adjustDialog();\n }\n });\n EventHandler.on(this._element, EVENT_MOUSEDOWN_DISMISS, event => {\n // a bad trick to segregate clicks that may start inside dialog but end outside, and avoid listen to scrollbar clicks\n EventHandler.one(this._element, EVENT_CLICK_DISMISS, event2 => {\n if (this._element !== event.target || this._element !== event2.target) {\n return;\n }\n if (this._config.backdrop === 'static') {\n this._triggerBackdropTransition();\n return;\n }\n if (this._config.backdrop) {\n this.hide();\n }\n });\n });\n }\n _hideModal() {\n this._element.style.display = 'none';\n this._element.setAttribute('aria-hidden', true);\n this._element.removeAttribute('aria-modal');\n this._element.removeAttribute('role');\n this._isTransitioning = false;\n this._backdrop.hide(() => {\n document.body.classList.remove(CLASS_NAME_OPEN);\n this._resetAdjustments();\n this._scrollBar.reset();\n EventHandler.trigger(this._element, EVENT_HIDDEN$4);\n });\n }\n _isAnimated() {\n return this._element.classList.contains(CLASS_NAME_FADE$3);\n }\n _triggerBackdropTransition() {\n const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED$1);\n if (hideEvent.defaultPrevented) {\n return;\n }\n const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n const initialOverflowY = this._element.style.overflowY;\n // return if the following background transition hasn't yet completed\n if (initialOverflowY === 'hidden' || this._element.classList.contains(CLASS_NAME_STATIC)) {\n return;\n }\n if (!isModalOverflowing) {\n this._element.style.overflowY = 'hidden';\n }\n this._element.classList.add(CLASS_NAME_STATIC);\n this._queueCallback(() => {\n this._element.classList.remove(CLASS_NAME_STATIC);\n this._queueCallback(() => {\n this._element.style.overflowY = initialOverflowY;\n }, this._dialog);\n }, this._dialog);\n this._element.focus();\n }\n\n /**\n * The following methods are used to handle overflowing modals\n */\n\n _adjustDialog() {\n const isModalOverflowing = this._element.scrollHeight > document.documentElement.clientHeight;\n const scrollbarWidth = this._scrollBar.getWidth();\n const isBodyOverflowing = scrollbarWidth > 0;\n if (isBodyOverflowing && !isModalOverflowing) {\n const property = isRTL() ? 'paddingLeft' : 'paddingRight';\n this._element.style[property] = `${scrollbarWidth}px`;\n }\n if (!isBodyOverflowing && isModalOverflowing) {\n const property = isRTL() ? 'paddingRight' : 'paddingLeft';\n this._element.style[property] = `${scrollbarWidth}px`;\n }\n }\n _resetAdjustments() {\n this._element.style.paddingLeft = '';\n this._element.style.paddingRight = '';\n }\n\n // Static\n static jQueryInterface(config, relatedTarget) {\n return this.each(function () {\n const data = Modal.getOrCreateInstance(this, config);\n if (typeof config !== 'string') {\n return;\n }\n if (typeof data[config] === 'undefined') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config](relatedTarget);\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$2, SELECTOR_DATA_TOGGLE$2, function (event) {\n const target = SelectorEngine.getElementFromSelector(this);\n if (['A', 'AREA'].includes(this.tagName)) {\n event.preventDefault();\n }\n EventHandler.one(target, EVENT_SHOW$4, showEvent => {\n if (showEvent.defaultPrevented) {\n // only register focus restorer if modal will actually get shown\n return;\n }\n EventHandler.one(target, EVENT_HIDDEN$4, () => {\n if (isVisible(this)) {\n this.focus();\n }\n });\n });\n\n // avoid conflict when clicking modal toggler while another one is open\n const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR$1);\n if (alreadyOpen) {\n Modal.getInstance(alreadyOpen).hide();\n }\n const data = Modal.getOrCreateInstance(target);\n data.toggle(this);\n});\nenableDismissTrigger(Modal);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Modal);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap offcanvas.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$6 = 'offcanvas';\nconst DATA_KEY$3 = 'bs.offcanvas';\nconst EVENT_KEY$3 = `.${DATA_KEY$3}`;\nconst DATA_API_KEY$1 = '.data-api';\nconst EVENT_LOAD_DATA_API$2 = `load${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst ESCAPE_KEY = 'Escape';\nconst CLASS_NAME_SHOW$3 = 'show';\nconst CLASS_NAME_SHOWING$1 = 'showing';\nconst CLASS_NAME_HIDING = 'hiding';\nconst CLASS_NAME_BACKDROP = 'offcanvas-backdrop';\nconst OPEN_SELECTOR = '.offcanvas.show';\nconst EVENT_SHOW$3 = `show${EVENT_KEY$3}`;\nconst EVENT_SHOWN$3 = `shown${EVENT_KEY$3}`;\nconst EVENT_HIDE$3 = `hide${EVENT_KEY$3}`;\nconst EVENT_HIDE_PREVENTED = `hidePrevented${EVENT_KEY$3}`;\nconst EVENT_HIDDEN$3 = `hidden${EVENT_KEY$3}`;\nconst EVENT_RESIZE = `resize${EVENT_KEY$3}`;\nconst EVENT_CLICK_DATA_API$1 = `click${EVENT_KEY$3}${DATA_API_KEY$1}`;\nconst EVENT_KEYDOWN_DISMISS = `keydown.dismiss${EVENT_KEY$3}`;\nconst SELECTOR_DATA_TOGGLE$1 = '[data-bs-toggle=\"offcanvas\"]';\nconst Default$5 = {\n backdrop: true,\n keyboard: true,\n scroll: false\n};\nconst DefaultType$5 = {\n backdrop: '(boolean|string)',\n keyboard: 'boolean',\n scroll: 'boolean'\n};\n\n/**\n * Class definition\n */\n\nclass Offcanvas extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n this._isShown = false;\n this._backdrop = this._initializeBackDrop();\n this._focustrap = this._initializeFocusTrap();\n this._addEventListeners();\n }\n\n // Getters\n static get Default() {\n return Default$5;\n }\n static get DefaultType() {\n return DefaultType$5;\n }\n static get NAME() {\n return NAME$6;\n }\n\n // Public\n toggle(relatedTarget) {\n return this._isShown ? this.hide() : this.show(relatedTarget);\n }\n show(relatedTarget) {\n if (this._isShown) {\n return;\n }\n const showEvent = EventHandler.trigger(this._element, EVENT_SHOW$3, {\n relatedTarget\n });\n if (showEvent.defaultPrevented) {\n return;\n }\n this._isShown = true;\n this._backdrop.show();\n if (!this._config.scroll) {\n new ScrollBarHelper().hide();\n }\n this._element.setAttribute('aria-modal', true);\n this._element.setAttribute('role', 'dialog');\n this._element.classList.add(CLASS_NAME_SHOWING$1);\n const completeCallBack = () => {\n if (!this._config.scroll || this._config.backdrop) {\n this._focustrap.activate();\n }\n this._element.classList.add(CLASS_NAME_SHOW$3);\n this._element.classList.remove(CLASS_NAME_SHOWING$1);\n EventHandler.trigger(this._element, EVENT_SHOWN$3, {\n relatedTarget\n });\n };\n this._queueCallback(completeCallBack, this._element, true);\n }\n hide() {\n if (!this._isShown) {\n return;\n }\n const hideEvent = EventHandler.trigger(this._element, EVENT_HIDE$3);\n if (hideEvent.defaultPrevented) {\n return;\n }\n this._focustrap.deactivate();\n this._element.blur();\n this._isShown = false;\n this._element.classList.add(CLASS_NAME_HIDING);\n this._backdrop.hide();\n const completeCallback = () => {\n this._element.classList.remove(CLASS_NAME_SHOW$3, CLASS_NAME_HIDING);\n this._element.removeAttribute('aria-modal');\n this._element.removeAttribute('role');\n if (!this._config.scroll) {\n new ScrollBarHelper().reset();\n }\n EventHandler.trigger(this._element, EVENT_HIDDEN$3);\n };\n this._queueCallback(completeCallback, this._element, true);\n }\n dispose() {\n this._backdrop.dispose();\n this._focustrap.deactivate();\n super.dispose();\n }\n\n // Private\n _initializeBackDrop() {\n const clickCallback = () => {\n if (this._config.backdrop === 'static') {\n EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n return;\n }\n this.hide();\n };\n\n // 'static' option will be translated to true, and booleans will keep their value\n const isVisible = Boolean(this._config.backdrop);\n return new Backdrop({\n className: CLASS_NAME_BACKDROP,\n isVisible,\n isAnimated: true,\n rootElement: this._element.parentNode,\n clickCallback: isVisible ? clickCallback : null\n });\n }\n _initializeFocusTrap() {\n return new FocusTrap({\n trapElement: this._element\n });\n }\n _addEventListeners() {\n EventHandler.on(this._element, EVENT_KEYDOWN_DISMISS, event => {\n if (event.key !== ESCAPE_KEY) {\n return;\n }\n if (this._config.keyboard) {\n this.hide();\n return;\n }\n EventHandler.trigger(this._element, EVENT_HIDE_PREVENTED);\n });\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Offcanvas.getOrCreateInstance(this, config);\n if (typeof config !== 'string') {\n return;\n }\n if (data[config] === undefined || config.startsWith('_') || config === 'constructor') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config](this);\n });\n }\n}\n\n/**\n * Data API implementation\n */\n\nEventHandler.on(document, EVENT_CLICK_DATA_API$1, SELECTOR_DATA_TOGGLE$1, function (event) {\n const target = SelectorEngine.getElementFromSelector(this);\n if (['A', 'AREA'].includes(this.tagName)) {\n event.preventDefault();\n }\n if (isDisabled(this)) {\n return;\n }\n EventHandler.one(target, EVENT_HIDDEN$3, () => {\n // focus on trigger when it is closed\n if (isVisible(this)) {\n this.focus();\n }\n });\n\n // avoid conflict when clicking a toggler of an offcanvas, while another is open\n const alreadyOpen = SelectorEngine.findOne(OPEN_SELECTOR);\n if (alreadyOpen && alreadyOpen !== target) {\n Offcanvas.getInstance(alreadyOpen).hide();\n }\n const data = Offcanvas.getOrCreateInstance(target);\n data.toggle(this);\n});\nEventHandler.on(window, EVENT_LOAD_DATA_API$2, () => {\n for (const selector of SelectorEngine.find(OPEN_SELECTOR)) {\n Offcanvas.getOrCreateInstance(selector).show();\n }\n});\nEventHandler.on(window, EVENT_RESIZE, () => {\n for (const element of SelectorEngine.find('[aria-modal][class*=show][class*=offcanvas-]')) {\n if (getComputedStyle(element).position !== 'fixed') {\n Offcanvas.getOrCreateInstance(element).hide();\n }\n }\n});\nenableDismissTrigger(Offcanvas);\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Offcanvas);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/sanitizer.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n// js-docs-start allow-list\nconst ARIA_ATTRIBUTE_PATTERN = /^aria-[\\w-]*$/i;\nconst DefaultAllowlist = {\n // Global attributes allowed on any supplied element below.\n '*': ['class', 'dir', 'id', 'lang', 'role', ARIA_ATTRIBUTE_PATTERN],\n a: ['target', 'href', 'title', 'rel'],\n area: [],\n b: [],\n br: [],\n col: [],\n code: [],\n div: [],\n em: [],\n hr: [],\n h1: [],\n h2: [],\n h3: [],\n h4: [],\n h5: [],\n h6: [],\n i: [],\n img: ['src', 'srcset', 'alt', 'title', 'width', 'height'],\n li: [],\n ol: [],\n p: [],\n pre: [],\n s: [],\n small: [],\n span: [],\n sub: [],\n sup: [],\n strong: [],\n u: [],\n ul: []\n};\n// js-docs-end allow-list\n\nconst uriAttributes = new Set(['background', 'cite', 'href', 'itemtype', 'longdesc', 'poster', 'src', 'xlink:href']);\n\n/**\n * A pattern that recognizes URLs that are safe wrt. XSS in URL navigation\n * contexts.\n *\n * Shout-out to Angular https://github.com/angular/angular/blob/15.2.8/packages/core/src/sanitization/url_sanitizer.ts#L38\n */\n// eslint-disable-next-line unicorn/better-regex\nconst SAFE_URL_PATTERN = /^(?!javascript:)(?:[a-z0-9+.-]+:|[^&:/?#]*(?:[/?#]|$))/i;\nconst allowedAttribute = (attribute, allowedAttributeList) => {\n const attributeName = attribute.nodeName.toLowerCase();\n if (allowedAttributeList.includes(attributeName)) {\n if (uriAttributes.has(attributeName)) {\n return Boolean(SAFE_URL_PATTERN.test(attribute.nodeValue));\n }\n return true;\n }\n\n // Check if a regular expression validates the attribute.\n return allowedAttributeList.filter(attributeRegex => attributeRegex instanceof RegExp).some(regex => regex.test(attributeName));\n};\nfunction sanitizeHtml(unsafeHtml, allowList, sanitizeFunction) {\n if (!unsafeHtml.length) {\n return unsafeHtml;\n }\n if (sanitizeFunction && typeof sanitizeFunction === 'function') {\n return sanitizeFunction(unsafeHtml);\n }\n const domParser = new window.DOMParser();\n const createdDocument = domParser.parseFromString(unsafeHtml, 'text/html');\n const elements = [].concat(...createdDocument.body.querySelectorAll('*'));\n for (const element of elements) {\n const elementName = element.nodeName.toLowerCase();\n if (!Object.keys(allowList).includes(elementName)) {\n element.remove();\n continue;\n }\n const attributeList = [].concat(...element.attributes);\n const allowedAttributes = [].concat(allowList['*'] || [], allowList[elementName] || []);\n for (const attribute of attributeList) {\n if (!allowedAttribute(attribute, allowedAttributes)) {\n element.removeAttribute(attribute.nodeName);\n }\n }\n }\n return createdDocument.body.innerHTML;\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap util/template-factory.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$5 = 'TemplateFactory';\nconst Default$4 = {\n allowList: DefaultAllowlist,\n content: {},\n // { selector : text , selector2 : text2 , }\n extraClass: '',\n html: false,\n sanitize: true,\n sanitizeFn: null,\n template: '
'\n};\nconst DefaultType$4 = {\n allowList: 'object',\n content: 'object',\n extraClass: '(string|function)',\n html: 'boolean',\n sanitize: 'boolean',\n sanitizeFn: '(null|function)',\n template: 'string'\n};\nconst DefaultContentType = {\n entry: '(string|element|function|null)',\n selector: '(string|element)'\n};\n\n/**\n * Class definition\n */\n\nclass TemplateFactory extends Config {\n constructor(config) {\n super();\n this._config = this._getConfig(config);\n }\n\n // Getters\n static get Default() {\n return Default$4;\n }\n static get DefaultType() {\n return DefaultType$4;\n }\n static get NAME() {\n return NAME$5;\n }\n\n // Public\n getContent() {\n return Object.values(this._config.content).map(config => this._resolvePossibleFunction(config)).filter(Boolean);\n }\n hasContent() {\n return this.getContent().length > 0;\n }\n changeContent(content) {\n this._checkContent(content);\n this._config.content = {\n ...this._config.content,\n ...content\n };\n return this;\n }\n toHtml() {\n const templateWrapper = document.createElement('div');\n templateWrapper.innerHTML = this._maybeSanitize(this._config.template);\n for (const [selector, text] of Object.entries(this._config.content)) {\n this._setContent(templateWrapper, text, selector);\n }\n const template = templateWrapper.children[0];\n const extraClass = this._resolvePossibleFunction(this._config.extraClass);\n if (extraClass) {\n template.classList.add(...extraClass.split(' '));\n }\n return template;\n }\n\n // Private\n _typeCheckConfig(config) {\n super._typeCheckConfig(config);\n this._checkContent(config.content);\n }\n _checkContent(arg) {\n for (const [selector, content] of Object.entries(arg)) {\n super._typeCheckConfig({\n selector,\n entry: content\n }, DefaultContentType);\n }\n }\n _setContent(template, content, selector) {\n const templateElement = SelectorEngine.findOne(selector, template);\n if (!templateElement) {\n return;\n }\n content = this._resolvePossibleFunction(content);\n if (!content) {\n templateElement.remove();\n return;\n }\n if (isElement(content)) {\n this._putElementInTemplate(getElement(content), templateElement);\n return;\n }\n if (this._config.html) {\n templateElement.innerHTML = this._maybeSanitize(content);\n return;\n }\n templateElement.textContent = content;\n }\n _maybeSanitize(arg) {\n return this._config.sanitize ? sanitizeHtml(arg, this._config.allowList, this._config.sanitizeFn) : arg;\n }\n _resolvePossibleFunction(arg) {\n return execute(arg, [this]);\n }\n _putElementInTemplate(element, templateElement) {\n if (this._config.html) {\n templateElement.innerHTML = '';\n templateElement.append(element);\n return;\n }\n templateElement.textContent = element.textContent;\n }\n}\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap tooltip.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$4 = 'tooltip';\nconst DISALLOWED_ATTRIBUTES = new Set(['sanitize', 'allowList', 'sanitizeFn']);\nconst CLASS_NAME_FADE$2 = 'fade';\nconst CLASS_NAME_MODAL = 'modal';\nconst CLASS_NAME_SHOW$2 = 'show';\nconst SELECTOR_TOOLTIP_INNER = '.tooltip-inner';\nconst SELECTOR_MODAL = `.${CLASS_NAME_MODAL}`;\nconst EVENT_MODAL_HIDE = 'hide.bs.modal';\nconst TRIGGER_HOVER = 'hover';\nconst TRIGGER_FOCUS = 'focus';\nconst TRIGGER_CLICK = 'click';\nconst TRIGGER_MANUAL = 'manual';\nconst EVENT_HIDE$2 = 'hide';\nconst EVENT_HIDDEN$2 = 'hidden';\nconst EVENT_SHOW$2 = 'show';\nconst EVENT_SHOWN$2 = 'shown';\nconst EVENT_INSERTED = 'inserted';\nconst EVENT_CLICK$1 = 'click';\nconst EVENT_FOCUSIN$1 = 'focusin';\nconst EVENT_FOCUSOUT$1 = 'focusout';\nconst EVENT_MOUSEENTER = 'mouseenter';\nconst EVENT_MOUSELEAVE = 'mouseleave';\nconst AttachmentMap = {\n AUTO: 'auto',\n TOP: 'top',\n RIGHT: isRTL() ? 'left' : 'right',\n BOTTOM: 'bottom',\n LEFT: isRTL() ? 'right' : 'left'\n};\nconst Default$3 = {\n allowList: DefaultAllowlist,\n animation: true,\n boundary: 'clippingParents',\n container: false,\n customClass: '',\n delay: 0,\n fallbackPlacements: ['top', 'right', 'bottom', 'left'],\n html: false,\n offset: [0, 6],\n placement: 'top',\n popperConfig: null,\n sanitize: true,\n sanitizeFn: null,\n selector: false,\n template: '
' + '
' + '
' + '
',\n title: '',\n trigger: 'hover focus'\n};\nconst DefaultType$3 = {\n allowList: 'object',\n animation: 'boolean',\n boundary: '(string|element)',\n container: '(string|element|boolean)',\n customClass: '(string|function)',\n delay: '(number|object)',\n fallbackPlacements: 'array',\n html: 'boolean',\n offset: '(array|string|function)',\n placement: '(string|function)',\n popperConfig: '(null|object|function)',\n sanitize: 'boolean',\n sanitizeFn: '(null|function)',\n selector: '(string|boolean)',\n template: 'string',\n title: '(string|element|function)',\n trigger: 'string'\n};\n\n/**\n * Class definition\n */\n\nclass Tooltip extends BaseComponent {\n constructor(element, config) {\n if (typeof Popper === 'undefined') {\n throw new TypeError('Bootstrap\\'s tooltips require Popper (https://popper.js.org)');\n }\n super(element, config);\n\n // Private\n this._isEnabled = true;\n this._timeout = 0;\n this._isHovered = null;\n this._activeTrigger = {};\n this._popper = null;\n this._templateFactory = null;\n this._newContent = null;\n\n // Protected\n this.tip = null;\n this._setListeners();\n if (!this._config.selector) {\n this._fixTitle();\n }\n }\n\n // Getters\n static get Default() {\n return Default$3;\n }\n static get DefaultType() {\n return DefaultType$3;\n }\n static get NAME() {\n return NAME$4;\n }\n\n // Public\n enable() {\n this._isEnabled = true;\n }\n disable() {\n this._isEnabled = false;\n }\n toggleEnabled() {\n this._isEnabled = !this._isEnabled;\n }\n toggle() {\n if (!this._isEnabled) {\n return;\n }\n this._activeTrigger.click = !this._activeTrigger.click;\n if (this._isShown()) {\n this._leave();\n return;\n }\n this._enter();\n }\n dispose() {\n clearTimeout(this._timeout);\n EventHandler.off(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n if (this._element.getAttribute('data-bs-original-title')) {\n this._element.setAttribute('title', this._element.getAttribute('data-bs-original-title'));\n }\n this._disposePopper();\n super.dispose();\n }\n show() {\n if (this._element.style.display === 'none') {\n throw new Error('Please use show on visible elements');\n }\n if (!(this._isWithContent() && this._isEnabled)) {\n return;\n }\n const showEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOW$2));\n const shadowRoot = findShadowRoot(this._element);\n const isInTheDom = (shadowRoot || this._element.ownerDocument.documentElement).contains(this._element);\n if (showEvent.defaultPrevented || !isInTheDom) {\n return;\n }\n\n // TODO: v6 remove this or make it optional\n this._disposePopper();\n const tip = this._getTipElement();\n this._element.setAttribute('aria-describedby', tip.getAttribute('id'));\n const {\n container\n } = this._config;\n if (!this._element.ownerDocument.documentElement.contains(this.tip)) {\n container.append(tip);\n EventHandler.trigger(this._element, this.constructor.eventName(EVENT_INSERTED));\n }\n this._popper = this._createPopper(tip);\n tip.classList.add(CLASS_NAME_SHOW$2);\n\n // If this is a touch-enabled device we add extra\n // empty mouseover listeners to the body's immediate children;\n // only needed because of broken event delegation on iOS\n // https://www.quirksmode.org/blog/archives/2014/02/mouse_event_bub.html\n if ('ontouchstart' in document.documentElement) {\n for (const element of [].concat(...document.body.children)) {\n EventHandler.on(element, 'mouseover', noop);\n }\n }\n const complete = () => {\n EventHandler.trigger(this._element, this.constructor.eventName(EVENT_SHOWN$2));\n if (this._isHovered === false) {\n this._leave();\n }\n this._isHovered = false;\n };\n this._queueCallback(complete, this.tip, this._isAnimated());\n }\n hide() {\n if (!this._isShown()) {\n return;\n }\n const hideEvent = EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDE$2));\n if (hideEvent.defaultPrevented) {\n return;\n }\n const tip = this._getTipElement();\n tip.classList.remove(CLASS_NAME_SHOW$2);\n\n // If this is a touch-enabled device we remove the extra\n // empty mouseover listeners we added for iOS support\n if ('ontouchstart' in document.documentElement) {\n for (const element of [].concat(...document.body.children)) {\n EventHandler.off(element, 'mouseover', noop);\n }\n }\n this._activeTrigger[TRIGGER_CLICK] = false;\n this._activeTrigger[TRIGGER_FOCUS] = false;\n this._activeTrigger[TRIGGER_HOVER] = false;\n this._isHovered = null; // it is a trick to support manual triggering\n\n const complete = () => {\n if (this._isWithActiveTrigger()) {\n return;\n }\n if (!this._isHovered) {\n this._disposePopper();\n }\n this._element.removeAttribute('aria-describedby');\n EventHandler.trigger(this._element, this.constructor.eventName(EVENT_HIDDEN$2));\n };\n this._queueCallback(complete, this.tip, this._isAnimated());\n }\n update() {\n if (this._popper) {\n this._popper.update();\n }\n }\n\n // Protected\n _isWithContent() {\n return Boolean(this._getTitle());\n }\n _getTipElement() {\n if (!this.tip) {\n this.tip = this._createTipElement(this._newContent || this._getContentForTemplate());\n }\n return this.tip;\n }\n _createTipElement(content) {\n const tip = this._getTemplateFactory(content).toHtml();\n\n // TODO: remove this check in v6\n if (!tip) {\n return null;\n }\n tip.classList.remove(CLASS_NAME_FADE$2, CLASS_NAME_SHOW$2);\n // TODO: v6 the following can be achieved with CSS only\n tip.classList.add(`bs-${this.constructor.NAME}-auto`);\n const tipId = getUID(this.constructor.NAME).toString();\n tip.setAttribute('id', tipId);\n if (this._isAnimated()) {\n tip.classList.add(CLASS_NAME_FADE$2);\n }\n return tip;\n }\n setContent(content) {\n this._newContent = content;\n if (this._isShown()) {\n this._disposePopper();\n this.show();\n }\n }\n _getTemplateFactory(content) {\n if (this._templateFactory) {\n this._templateFactory.changeContent(content);\n } else {\n this._templateFactory = new TemplateFactory({\n ...this._config,\n // the `content` var has to be after `this._config`\n // to override config.content in case of popover\n content,\n extraClass: this._resolvePossibleFunction(this._config.customClass)\n });\n }\n return this._templateFactory;\n }\n _getContentForTemplate() {\n return {\n [SELECTOR_TOOLTIP_INNER]: this._getTitle()\n };\n }\n _getTitle() {\n return this._resolvePossibleFunction(this._config.title) || this._element.getAttribute('data-bs-original-title');\n }\n\n // Private\n _initializeOnDelegatedTarget(event) {\n return this.constructor.getOrCreateInstance(event.delegateTarget, this._getDelegateConfig());\n }\n _isAnimated() {\n return this._config.animation || this.tip && this.tip.classList.contains(CLASS_NAME_FADE$2);\n }\n _isShown() {\n return this.tip && this.tip.classList.contains(CLASS_NAME_SHOW$2);\n }\n _createPopper(tip) {\n const placement = execute(this._config.placement, [this, tip, this._element]);\n const attachment = AttachmentMap[placement.toUpperCase()];\n return Popper.createPopper(this._element, tip, this._getPopperConfig(attachment));\n }\n _getOffset() {\n const {\n offset\n } = this._config;\n if (typeof offset === 'string') {\n return offset.split(',').map(value => Number.parseInt(value, 10));\n }\n if (typeof offset === 'function') {\n return popperData => offset(popperData, this._element);\n }\n return offset;\n }\n _resolvePossibleFunction(arg) {\n return execute(arg, [this._element]);\n }\n _getPopperConfig(attachment) {\n const defaultBsPopperConfig = {\n placement: attachment,\n modifiers: [{\n name: 'flip',\n options: {\n fallbackPlacements: this._config.fallbackPlacements\n }\n }, {\n name: 'offset',\n options: {\n offset: this._getOffset()\n }\n }, {\n name: 'preventOverflow',\n options: {\n boundary: this._config.boundary\n }\n }, {\n name: 'arrow',\n options: {\n element: `.${this.constructor.NAME}-arrow`\n }\n }, {\n name: 'preSetPlacement',\n enabled: true,\n phase: 'beforeMain',\n fn: data => {\n // Pre-set Popper's placement attribute in order to read the arrow sizes properly.\n // Otherwise, Popper mixes up the width and height dimensions since the initial arrow style is for top placement\n this._getTipElement().setAttribute('data-popper-placement', data.state.placement);\n }\n }]\n };\n return {\n ...defaultBsPopperConfig,\n ...execute(this._config.popperConfig, [defaultBsPopperConfig])\n };\n }\n _setListeners() {\n const triggers = this._config.trigger.split(' ');\n for (const trigger of triggers) {\n if (trigger === 'click') {\n EventHandler.on(this._element, this.constructor.eventName(EVENT_CLICK$1), this._config.selector, event => {\n const context = this._initializeOnDelegatedTarget(event);\n context.toggle();\n });\n } else if (trigger !== TRIGGER_MANUAL) {\n const eventIn = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSEENTER) : this.constructor.eventName(EVENT_FOCUSIN$1);\n const eventOut = trigger === TRIGGER_HOVER ? this.constructor.eventName(EVENT_MOUSELEAVE) : this.constructor.eventName(EVENT_FOCUSOUT$1);\n EventHandler.on(this._element, eventIn, this._config.selector, event => {\n const context = this._initializeOnDelegatedTarget(event);\n context._activeTrigger[event.type === 'focusin' ? TRIGGER_FOCUS : TRIGGER_HOVER] = true;\n context._enter();\n });\n EventHandler.on(this._element, eventOut, this._config.selector, event => {\n const context = this._initializeOnDelegatedTarget(event);\n context._activeTrigger[event.type === 'focusout' ? TRIGGER_FOCUS : TRIGGER_HOVER] = context._element.contains(event.relatedTarget);\n context._leave();\n });\n }\n }\n this._hideModalHandler = () => {\n if (this._element) {\n this.hide();\n }\n };\n EventHandler.on(this._element.closest(SELECTOR_MODAL), EVENT_MODAL_HIDE, this._hideModalHandler);\n }\n _fixTitle() {\n const title = this._element.getAttribute('title');\n if (!title) {\n return;\n }\n if (!this._element.getAttribute('aria-label') && !this._element.textContent.trim()) {\n this._element.setAttribute('aria-label', title);\n }\n this._element.setAttribute('data-bs-original-title', title); // DO NOT USE IT. Is only for backwards compatibility\n this._element.removeAttribute('title');\n }\n _enter() {\n if (this._isShown() || this._isHovered) {\n this._isHovered = true;\n return;\n }\n this._isHovered = true;\n this._setTimeout(() => {\n if (this._isHovered) {\n this.show();\n }\n }, this._config.delay.show);\n }\n _leave() {\n if (this._isWithActiveTrigger()) {\n return;\n }\n this._isHovered = false;\n this._setTimeout(() => {\n if (!this._isHovered) {\n this.hide();\n }\n }, this._config.delay.hide);\n }\n _setTimeout(handler, timeout) {\n clearTimeout(this._timeout);\n this._timeout = setTimeout(handler, timeout);\n }\n _isWithActiveTrigger() {\n return Object.values(this._activeTrigger).includes(true);\n }\n _getConfig(config) {\n const dataAttributes = Manipulator.getDataAttributes(this._element);\n for (const dataAttribute of Object.keys(dataAttributes)) {\n if (DISALLOWED_ATTRIBUTES.has(dataAttribute)) {\n delete dataAttributes[dataAttribute];\n }\n }\n config = {\n ...dataAttributes,\n ...(typeof config === 'object' && config ? config : {})\n };\n config = this._mergeConfigObj(config);\n config = this._configAfterMerge(config);\n this._typeCheckConfig(config);\n return config;\n }\n _configAfterMerge(config) {\n config.container = config.container === false ? document.body : getElement(config.container);\n if (typeof config.delay === 'number') {\n config.delay = {\n show: config.delay,\n hide: config.delay\n };\n }\n if (typeof config.title === 'number') {\n config.title = config.title.toString();\n }\n if (typeof config.content === 'number') {\n config.content = config.content.toString();\n }\n return config;\n }\n _getDelegateConfig() {\n const config = {};\n for (const [key, value] of Object.entries(this._config)) {\n if (this.constructor.Default[key] !== value) {\n config[key] = value;\n }\n }\n config.selector = false;\n config.trigger = 'manual';\n\n // In the future can be replaced with:\n // const keysWithDifferentValues = Object.entries(this._config).filter(entry => this.constructor.Default[entry[0]] !== this._config[entry[0]])\n // `Object.fromEntries(keysWithDifferentValues)`\n return config;\n }\n _disposePopper() {\n if (this._popper) {\n this._popper.destroy();\n this._popper = null;\n }\n if (this.tip) {\n this.tip.remove();\n this.tip = null;\n }\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Tooltip.getOrCreateInstance(this, config);\n if (typeof config !== 'string') {\n return;\n }\n if (typeof data[config] === 'undefined') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config]();\n });\n }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Tooltip);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap popover.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$3 = 'popover';\nconst SELECTOR_TITLE = '.popover-header';\nconst SELECTOR_CONTENT = '.popover-body';\nconst Default$2 = {\n ...Tooltip.Default,\n content: '',\n offset: [0, 8],\n placement: 'right',\n template: '
' + '
' + '

' + '
' + '
',\n trigger: 'click'\n};\nconst DefaultType$2 = {\n ...Tooltip.DefaultType,\n content: '(null|string|element|function)'\n};\n\n/**\n * Class definition\n */\n\nclass Popover extends Tooltip {\n // Getters\n static get Default() {\n return Default$2;\n }\n static get DefaultType() {\n return DefaultType$2;\n }\n static get NAME() {\n return NAME$3;\n }\n\n // Overrides\n _isWithContent() {\n return this._getTitle() || this._getContent();\n }\n\n // Private\n _getContentForTemplate() {\n return {\n [SELECTOR_TITLE]: this._getTitle(),\n [SELECTOR_CONTENT]: this._getContent()\n };\n }\n _getContent() {\n return this._resolvePossibleFunction(this._config.content);\n }\n\n // Static\n static jQueryInterface(config) {\n return this.each(function () {\n const data = Popover.getOrCreateInstance(this, config);\n if (typeof config !== 'string') {\n return;\n }\n if (typeof data[config] === 'undefined') {\n throw new TypeError(`No method named \"${config}\"`);\n }\n data[config]();\n });\n }\n}\n\n/**\n * jQuery\n */\n\ndefineJQueryPlugin(Popover);\n\n/**\n * --------------------------------------------------------------------------\n * Bootstrap scrollspy.js\n * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE)\n * --------------------------------------------------------------------------\n */\n\n\n/**\n * Constants\n */\n\nconst NAME$2 = 'scrollspy';\nconst DATA_KEY$2 = 'bs.scrollspy';\nconst EVENT_KEY$2 = `.${DATA_KEY$2}`;\nconst DATA_API_KEY = '.data-api';\nconst EVENT_ACTIVATE = `activate${EVENT_KEY$2}`;\nconst EVENT_CLICK = `click${EVENT_KEY$2}`;\nconst EVENT_LOAD_DATA_API$1 = `load${EVENT_KEY$2}${DATA_API_KEY}`;\nconst CLASS_NAME_DROPDOWN_ITEM = 'dropdown-item';\nconst CLASS_NAME_ACTIVE$1 = 'active';\nconst SELECTOR_DATA_SPY = '[data-bs-spy=\"scroll\"]';\nconst SELECTOR_TARGET_LINKS = '[href]';\nconst SELECTOR_NAV_LIST_GROUP = '.nav, .list-group';\nconst SELECTOR_NAV_LINKS = '.nav-link';\nconst SELECTOR_NAV_ITEMS = '.nav-item';\nconst SELECTOR_LIST_ITEMS = '.list-group-item';\nconst SELECTOR_LINK_ITEMS = `${SELECTOR_NAV_LINKS}, ${SELECTOR_NAV_ITEMS} > ${SELECTOR_NAV_LINKS}, ${SELECTOR_LIST_ITEMS}`;\nconst SELECTOR_DROPDOWN = '.dropdown';\nconst SELECTOR_DROPDOWN_TOGGLE$1 = '.dropdown-toggle';\nconst Default$1 = {\n offset: null,\n // TODO: v6 @deprecated, keep it for backwards compatibility reasons\n rootMargin: '0px 0px -25%',\n smoothScroll: false,\n target: null,\n threshold: [0.1, 0.5, 1]\n};\nconst DefaultType$1 = {\n offset: '(number|null)',\n // TODO v6 @deprecated, keep it for backwards compatibility reasons\n rootMargin: 'string',\n smoothScroll: 'boolean',\n target: 'element',\n threshold: 'array'\n};\n\n/**\n * Class definition\n */\n\nclass ScrollSpy extends BaseComponent {\n constructor(element, config) {\n super(element, config);\n\n // this._element is the observablesContainer and config.target the menu links wrapper\n this._targetLinks = new Map();\n this._observableSections = new Map();\n this._rootElement = getComputedStyle(this._element).overflowY === 'visible' ? null : this._element;\n this._activeTarget = null;\n this._observer = null;\n this._previousScrollData = {\n visibleEntryTop: 0,\n parentScrollTop: 0\n };\n this.refresh(); // initialize\n }\n\n // Getters\n static get Default() {\n return Default$1;\n }\n static get DefaultType() {\n return DefaultType$1;\n }\n static get NAME() {\n return NAME$2;\n }\n\n // Public\n refresh() {\n this._initializeTargetsAndObservables();\n this._maybeEnableSmoothScroll();\n if (this._observer) {\n this._observer.disconnect();\n } else {\n this._observer = this._getNewObserver();\n }\n for (const section of this._observableSections.values()) {\n this._observer.observe(section);\n }\n }\n dispose() {\n this._observer.disconnect();\n super.dispose();\n }\n\n // Private\n _configAfterMerge(config) {\n // TODO: on v6 target should be given explicitly & remove the {target: 'ss-target'} case\n config.target = getElement(config.target) || document.body;\n\n // TODO: v6 Only for backwards compatibility reasons. Use rootMargin only\n config.rootMargin = config.offset ? `${config.offset}px 0px -30%` : config.rootMargin;\n if (typeof config.threshold === 'string') {\n config.threshold = config.threshold.split(',').map(value => Number.parseFloat(value));\n }\n return config;\n }\n _maybeEnableSmoothScroll() {\n if (!this._config.smoothScroll) {\n return;\n }\n\n // unregister any previous listeners\n EventHandler.off(this._config.target, EVENT_CLICK);\n EventHandler.on(this._config.target, EVENT_CLICK, SELECTOR_TARGET_LINKS, event => {\n const observableSection = this._observableSections.get(event.target.hash);\n if (observableSection) {\n event.preventDefault();\n const root = this._rootElement || window;\n const height = observableSection.offsetTop - this._element.offsetTop;\n if (root.scrollTo) {\n root.scrollTo({\n top: height,\n behavior: 'smooth'\n });\n return;\n }\n\n // Chrome 60 doesn't support `scrollTo`\n root.scrollTop = height;\n }\n });\n }\n _getNewObserver() {\n const options = {\n root: this._rootElement,\n threshold: this._config.threshold,\n rootMargin: this._config.rootMargin\n };\n return new IntersectionObserver(entries => this._observerCallback(entries), options);\n }\n\n // The logic of selection\n _observerCallback(entries) {\n const targetElement = entry => this._targetLinks.get(`#${entry.target.id}`);\n const activate = entry => {\n this._previousScrollData.visibleEntryTop = entry.target.offsetTop;\n this._process(targetElement(entry));\n };\n const parentScrollTop = (this._rootElement || document.documentElement).scrollTop;\n const userScrollsDown = parentScrollTop >= this._previousScrollData.parentScrollTop;\n this._previousScrollData.parentScrollTop = parentScrollTop;\n for (const entry of entries) {\n if (!entry.isIntersecting) {\n this._activeTarget = null;\n this._clearActiveClass(targetElement(entry));\n continue;\n }\n const entryIsLowerThanPrevious = entry.target.offsetTop >= this._previousScrollData.visibleEntryTop;\n // if we are scrolling down, pick the bigger offsetTop\n if (userScrollsDown && entryIsLowerThanPrevious) {\n activate(entry);\n // if parent isn't scrolled, let's keep the first visible item, breaking the iteration\n if (!parentScrollTop) {\n return;\n }\n continue;\n }\n\n // if we are scrolling up, pick the smallest offsetTop\n if (!userScrollsDown && !entryIsLowerThanPrevious) {\n activate(entry);\n }\n }\n }\n _initializeTargetsAndObservables() {\n this._targetLinks = new Map();\n this._observableSections = new Map();\n const targetLinks = SelectorEngine.find(SELECTOR_TARGET_LINKS, this._config.target);\n for (const anchor of targetLinks) {\n // ensure that the anchor has an id and is not disabled\n if (!anchor.hash || isDisabled(anchor)) {\n continue;\n }\n const observableSection = SelectorEngine.findOne(decodeURI(anchor.hash), this._element);\n\n // ensure that the observableSection exists & is visible\n if (isVisible(observableSection)) {\n this._targetLinks.set(decodeURI(anchor.hash), anchor);\n this._observableSections.set(anchor.hash, observableSection);\n }\n }\n }\n _process(target) {\n if (this._activeTarget === target) {\n return;\n }\n this._clearActiveClass(this._config.target);\n this._activeTarget = target;\n target.classList.add(CLASS_NAME_ACTIVE$1);\n this._activateParents(target);\n EventHandler.trigger(this._element, EVENT_ACTIVATE, {\n relatedTarget: target\n });\n }\n _activateParents(target) {\n // Activate dropdown parents\n if (target.classList.contains(CLASS_NAME_DROPDOWN_ITEM)) {\n SelectorEngine.findOne(SELECTOR_DROPDOWN_TOGGLE$1, target.closest(SELECTOR_DROPDOWN)).classList.add(CLASS_NAME_ACTIVE$1);\n return;\n }\n for (const listGroup of SelectorEngine.parents(target, SELECTOR_NAV_LIST_GROUP)) {\n // Set triggered links parents as active\n // With both