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Analyzed 1 day ago. based on code collected 2 days ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jul 22, 2024 — Jul 22, 2025 Showing page 1 of 24 Search / Filter on:
Merge pull request #1633 from berquist/1440-force-lf-line-endings	Eric Berquist	More...				17 days ago
pre-commit: no-commit-to-branch interferes with running on merge commits	Eric Berquist	More...				17 days ago
pre-commit: forbid CRLF line endings in code once and for all	Eric Berquist	More...				17 days ago
Merge pull request #1629 from berquist/1509-orca-giant-et	Eric Berquist	More...				17 days ago
Merge pull request #1632 from berquist/turn-off-automatic-pre-commit-fixes	Eric Berquist	More...				17 days ago
Run pre-commit in normal GitHub Actions workflow	Eric Berquist	More...				17 days ago
pre-commit: disable autofixes from pre-commit.ci	Eric Berquist	More...				17 days ago
ORCA: fix parsing singly-excited state calculations with over 1000 MOs	Eric Berquist	More...				18 days ago
See https://github.com/cclib/cclib/commit/65e3e027fdc2cf1b3a00c1de5930a8fbddc62a2d from refs/heads/master	cclib	More...				18 days ago
Merge pull request #1627 from cclib/renovate/astral-sh-ruff-pre-commit-0.x	Eric Berquist	More...				18 days ago
Merge pull request #1628 from berquist/fchk-gopt	Eric Berquist	More...				18 days ago
FChk: add unit tests for geometry optimization	Eric Berquist	More...				18 days ago
Psi4: fix typo	Eric Berquist	More...				18 days ago
testSP: clean up skip comments	Eric Berquist	More...				18 days ago
FChk: implement optstatus and optdone	Eric Berquist	More...				18 days ago
regressions: rename unconverged fchk files	Eric Berquist	More...				18 days ago
testing: factor out functions for checking optstatus	Eric Berquist	More...				18 days ago
Merge pull request #228 from berquist/fchk-gopt	Eric Berquist	More...				18 days ago
QChem: implement optstatus	Eric Berquist	More...				19 days ago
QChem: detect failed calculations	Eric Berquist	More...				19 days ago
Gaussian: detect failed calculations	Eric Berquist	More...				19 days ago
FChk: add (un)converged geometry optimizations using Q-Chem input geometry	Eric Berquist	More...				19 days ago
FChk: parse version information from Gaussian-generated files	Eric Berquist	More...				20 days ago
Update pre-commit hook astral-sh/ruff-pre-commit to v0.12.2	renovate[bot]	More...				20 days ago
FChk: ensure all atomcoords are saved	Eric Berquist	More...				24 days ago
FChk: fix parsing Gaussian keywords	Eric Berquist	More...				24 days ago
Merge pull request #226 from cclib/renovate/cachix-install-nix-action-digest	Shiv Upadhyay	More...				25 days ago
Update cachix/install-nix-action digest to f0fe604	renovate[bot]	More...				25 days ago
testGeoOpt: testgradsdim for NWChem	Eric Berquist	More...				25 days ago
FChk: parse partial scfvalues and geovalues for Gaussian	Eric Berquist	More...				25 days ago

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