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Commits
: Listings
Analyzed
about 1 year
ago. based on code collected
about 1 year
ago.
Jan 16, 2023 — Jan 16, 2024
Showing page 3 of 184
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Contributor
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Code Location
Date
fix
Andrew-S-Rosen
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about 1 year ago
Remove unused import
Andrew-S-Rosen
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about 1 year ago
Use `set_attribute` (part 1)
Andrew-S-Rosen
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about 1 year ago
Refactor methods
Andrew-S-Rosen
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about 1 year ago
Remove redundant skip
Andrew-S-Rosen
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about 1 year ago
`free_energy` --> `freenergy` in `cclib2ase.py`
Andrew S. Rosen
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about 1 year ago
Delete data/XTB/basicXTB6.6.1/test.ipynb
Andrew S. Rosen
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about 1 year ago
Typo fix
Andrew S. Rosen
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about 1 year ago
Merge pull request #1318 from cclib/pre-commit-ci-update-config
Eric Berquist
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about 1 year ago
Fix comment
Andrew-S-Rosen
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about 1 year ago
Fix tests
Andrew-S-Rosen
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about 1 year ago
Fix atomcoords
Andrew-S-Rosen
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about 1 year ago
Fix SCF energy parsing
Andrew-S-Rosen
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about 1 year ago
Add IR test fiels
Andrew-S-Rosen
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about 1 year ago
Clean up test files
Andrew-S-Rosen
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about 1 year ago
Add support for temperature parsing
Andrew-S-Rosen
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about 1 year ago
Fix free energy parsing
Andrew-S-Rosen
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about 1 year ago
Fix ohess parsing
Andrew-S-Rosen
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about 1 year ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot]
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about 1 year ago
Merge pull request #1315 from berquist/1285-remove-qt4progress
Eric Berquist
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about 1 year ago
No need to ignore PyQt4 for mypy anymore
Eric Berquist
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about 1 year ago
Remove Qt4Progress
Eric Berquist
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about 1 year ago
Separate out "dev" and "all" dependency groups
Eric Berquist
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about 1 year ago
Merge pull request #1312 from berquist/1267-remove-rtd
Shiv Upadhyay
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about 1 year ago
Merge pull request #1310 from berquist/1122-git-blame-ignore-revs
Shiv Upadhyay
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about 1 year ago
remove unused GHA-based docs build
Eric Berquist
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about 1 year ago
remove Read the Docs config
Eric Berquist
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about 1 year ago
Add URLs and maintainer info
Eric Berquist
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about 1 year ago
pandas is a dependency of ccframe
Eric Berquist
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about 1 year ago
Migrate to pyproject.toml for package installation
Eric Berquist
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about 1 year ago
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