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Default to anaconda and not conda-forge
CI #25: Commit fcebfdc pushed by WardLT
April 26, 2024 17:44 3m 44s improv
April 26, 2024 17:44 3m 44s
Add instructions for running on Improv
CI #24: Pull request #4 opened by WardLT
April 26, 2024 16:36 3m 44s improv
April 26, 2024 16:36 3m 44s
update environment
CI #23: Commit 23018b3 pushed by WardLT
April 26, 2024 16:30 4m 0s main
April 26, 2024 16:30 4m 0s
Transfer coordinates using file
CI #22: Commit 889efbd pushed by WardLT
April 26, 2024 16:29 3m 46s improv
April 26, 2024 16:29 3m 46s
Transfer coordinates using file
CI #21: Commit 889efbd pushed by WardLT
April 26, 2024 16:28 3m 39s main
April 26, 2024 16:28 3m 39s
Add example queue file for running notebook
CI #20: Commit 23cacce pushed by WardLT
April 26, 2024 16:28 7m 47s main
April 26, 2024 16:28 7m 47s
update config for docker
CI #19: Commit b3aab35 pushed by miketynes
April 22, 2024 17:56 3m 46s perlmutter
April 22, 2024 17:56 3m 46s
update sbatch to match docs
CI #18: Commit b847fe7 pushed by miketynes
April 22, 2024 17:25 3m 49s perlmutter
April 22, 2024 17:25 3m 49s
add papermill parameters
CI #17: Commit 04c1158 pushed by miketynes
April 22, 2024 17:25 6m 11s perlmutter
April 22, 2024 17:25 6m 11s
update environment
CI #16: Commit 23018b3 pushed by miketynes
April 22, 2024 17:24 5m 14s main
April 22, 2024 17:24 5m 14s
add papermill parameters
CI #15: Commit 04c1158 pushed by miketynes
April 21, 2024 22:36 3m 52s main
April 21, 2024 22:36 3m 52s
add papermill runs,sbatch files
CI #14: Commit 8eb39f6 pushed by miketynes
April 21, 2024 22:34 3m 42s main
April 21, 2024 22:34 3m 42s
mike local nb rerun with fixed seed
CI #13: Commit 0b9a3a8 pushed by miketynes
April 11, 2024 15:35 4m 43s main
April 11, 2024 15:35 4m 43s
Merge branch 'main' of github.com:globus-labs/cascade
CI #12: Commit 35c77de pushed by miketynes
April 9, 2024 21:02 4m 35s main
April 9, 2024 21:02 4m 35s
Merge branch 'main' of github.com:globus-labs/cascade
CI #11: Commit 56459c3 pushed by WardLT
April 9, 2024 20:10 4m 52s main
April 9, 2024 20:10 4m 52s
add cp2k conda install
CI #10: Commit c4a52ea pushed by miketynes
April 9, 2024 19:59 4m 38s main
April 9, 2024 19:59 4m 38s
Introduce tests, CI, and first notebooks (#2)
CI #9: Commit 91d60f2 pushed by WardLT
April 9, 2024 18:27 8m 24s main
April 9, 2024 18:27 8m 24s
Introduce tests, CI, and first notebooks
CI #8: Pull request #2 synchronize by WardLT
April 9, 2024 18:27 4m 32s init-packmol
April 9, 2024 18:27 4m 32s
Add initial simulation notebooks
CI #7: Commit 813ccf7 pushed by WardLT
April 9, 2024 18:27 6m 11s init-packmol
April 9, 2024 18:27 6m 11s
Introduce tests, CI, and first notebooks
CI #6: Pull request #2 synchronize by WardLT
April 9, 2024 17:59 10m 41s init-packmol
April 9, 2024 17:59 10m 41s
Extend the allowed line lengths
CI #5: Commit 5ea8bed pushed by WardLT
April 9, 2024 17:59 4m 33s init-packmol
April 9, 2024 17:59 4m 33s
Introduce tests, CI, and first notebooks
CI #4: Pull request #2 synchronize by WardLT
April 9, 2024 16:22 3m 52s init-packmol
April 9, 2024 16:22 3m 52s
Do not hard code to Logan's cp2k
CI #3: Commit 16146f4 pushed by WardLT
April 9, 2024 16:22 4m 7s init-packmol
April 9, 2024 16:22 4m 7s
Introduce tests, CI, and first notebooks
CI #2: Pull request #2 opened by WardLT
April 9, 2024 15:54 3m 55s init-packmol
April 9, 2024 15:54 3m 55s
Introduce tests and CI
CI #1: Commit 75a5f9a pushed by WardLT
April 9, 2024 15:53 3m 48s init-packmol
April 9, 2024 15:53 3m 48s
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