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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
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
fix More... about 1 year ago
Remove unused import More... about 1 year ago
Use `set_attribute` (part 1) More... about 1 year ago
Refactor methods More... about 1 year ago
Remove redundant skip More... about 1 year ago
`free_energy` --> `freenergy` in `cclib2ase.py` More... about 1 year ago
Delete data/XTB/basicXTB6.6.1/test.ipynb More... about 1 year ago
Typo fix More... about 1 year ago
Merge pull request #1318 from cclib/pre-commit-ci-update-config More... about 1 year ago
Fix comment More... about 1 year ago
Fix tests More... about 1 year ago
Fix atomcoords More... about 1 year ago
Fix SCF energy parsing More... about 1 year ago
Add IR test fiels More... about 1 year ago
Clean up test files More... about 1 year ago
Add support for temperature parsing More... about 1 year ago
Fix free energy parsing More... about 1 year ago
Fix ohess parsing More... about 1 year ago
[pre-commit.ci] pre-commit autoupdate More... about 1 year ago
Merge pull request #1315 from berquist/1285-remove-qt4progress More... about 1 year ago
No need to ignore PyQt4 for mypy anymore More... about 1 year ago
Remove Qt4Progress More... about 1 year ago
Separate out "dev" and "all" dependency groups More... about 1 year ago
Merge pull request #1312 from berquist/1267-remove-rtd More... about 1 year ago
Merge pull request #1310 from berquist/1122-git-blame-ignore-revs More... about 1 year ago
remove unused GHA-based docs build More... about 1 year ago
remove Read the Docs config More... about 1 year ago
Add URLs and maintainer info More... about 1 year ago
pandas is a dependency of ccframe More... about 1 year ago
Migrate to pyproject.toml for package installation More... about 1 year ago