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Add a VASP handler (warning) for too high NBANDS
Testing #89: Pull request #324 synchronize by pre-commit-ci bot
March 12, 2024 18:02 12m 29s Andrew-S-Rosen:autonbands
March 12, 2024 18:02 12m 29s
use list concat over extend/concat, better var names
Testing #87: Commit 93bd2d6 pushed by janosh
March 12, 2024 05:25 9m 44s master
March 12, 2024 05:25 9m 44s
define skip_if_no_openbabel decorator once and reuse
Testing #86: Commit 266cc0f pushed by janosh
March 12, 2024 05:02 8m 34s master
March 12, 2024 05:02 8m 34s
Add missing directory kwarg on QCJob run() method (#323)
Testing #85: Commit 26b828b pushed by janosh
March 12, 2024 04:59 11m 3s master
March 12, 2024 04:59 11m 3s
Add missing directory kwarg on QCJob run() method
Testing #84: Pull request #323 synchronize by janosh
March 12, 2024 04:52 8m 48s Andrew-S-Rosen:qchemdirs
March 12, 2024 04:52 8m 48s
Add support for directory for Q-Chem (#318)
Testing #82: Commit 30576c6 pushed by shyuep
March 11, 2024 18:48 9m 28s master
March 11, 2024 18:48 9m 28s
Add missing function signature comment (#322)
Testing #81: Commit 41bd7d5 pushed by shyuep
March 11, 2024 18:48 10m 7s master
March 11, 2024 18:48 10m 7s
Add missing function signature comment
Testing #80: Pull request #322 opened by Andrew-S-Rosen
March 11, 2024 18:37 10m 52s Andrew-S-Rosen:dirstring
March 11, 2024 18:37 10m 52s
Add support for directory for Q-Chem
Testing #79: Pull request #318 synchronize by Andrew-S-Rosen
March 11, 2024 18:15 9m 7s Andrew-S-Rosen:qchem
March 11, 2024 18:15 9m 7s
Add support for directory for Q-Chem
Testing #78: Pull request #318 synchronize by Andrew-S-Rosen
March 11, 2024 18:02 9m 0s Andrew-S-Rosen:qchem
March 11, 2024 18:02 9m 0s
Add support for directory for Q-Chem
Testing #77: Pull request #318 synchronize by Andrew-S-Rosen
March 11, 2024 18:01 9m 49s Andrew-S-Rosen:qchem
March 11, 2024 18:01 9m 49s
Add support for directory for Q-Chem
Testing #76: Pull request #318 synchronize by Andrew-S-Rosen
March 11, 2024 17:12 10m 39s Andrew-S-Rosen:qchem
March 11, 2024 17:12 10m 39s
Make custodian threadsafe (explicit file paths) (#317)
Testing #75: Commit 34420c4 pushed by shyuep
March 11, 2024 16:43 10m 37s master
March 11, 2024 16:43 10m 37s
Make custodian threadsafe (explicit file paths)
Testing #74: Pull request #317 synchronize by pre-commit-ci bot
March 11, 2024 16:27 11m 51s zulissimeta:threadsafe
March 11, 2024 16:27 11m 51s
Make custodian threadsafe (explicit file paths)
Testing #73: Pull request #317 synchronize by zulissimeta
March 11, 2024 16:24 10m 16s zulissimeta:threadsafe
March 11, 2024 16:24 10m 16s
pip to uv CI migration (#321)
Testing #72: Commit d7f79f4 pushed by janosh
March 9, 2024 07:13 10m 26s master
March 9, 2024 07:13 10m 26s
pip to uv CI migration
Testing #71: Pull request #321 synchronize by janosh
March 9, 2024 07:12 9m 52s uv
uv
March 9, 2024 07:12 9m 52s
pip to uv CI migration
Testing #70: Pull request #321 synchronize by janosh
March 9, 2024 07:11 47s uv
uv
March 9, 2024 07:11 47s
pip to uv CI migration
Testing #69: Pull request #321 synchronize by janosh
March 9, 2024 07:08 47s uv
uv
March 9, 2024 07:08 47s
pip to uv CI migration
Testing #68: Pull request #321 synchronize by janosh
March 9, 2024 07:03 41s uv
uv
March 9, 2024 07:03 41s
pip to uv CI migration
Testing #67: Pull request #321 synchronize by janosh
March 9, 2024 06:58 41s uv
uv
March 9, 2024 06:58 41s
Add support for directory for Q-Chem
Testing #66: Pull request #318 synchronize by Andrew-S-Rosen
March 9, 2024 06:55 11m 40s Andrew-S-Rosen:qchem
March 9, 2024 06:55 11m 40s