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Analyzed about 16 hours ago. based on code collected 1 day ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
May 02, 2023 — May 02, 2024 Showing page 3 of 195 Search / Filter on:
Merge pull request #188 from berquist/1401-metadata-success	Eric Berquist	More...				22 days ago
FChk: add parent unconverged outputs that don't need testing themselves	Eric Berquist	More...				22 days ago
FChk: improve regression tests looking at success tag	Eric Berquist	More...				22 days ago
FChk: printing for unknown jobtype	Eric Berquist	More...				22 days ago
FChk: add outputs from unconverged calculations	Eric Berquist	More...				22 days ago
FChk: start program-dependent setting of success flag	Eric Berquist	More...				23 days ago
Merge pull request #187 from cclib/pre-commit-ci-update-config	Eric Berquist	More...				25 days ago
[pre-commit.ci] pre-commit autoupdate	pre-commit-ci[bot]	More...				25 days ago
test geometry optimizations with atomic units	Eric Berquist	More...				27 days ago
test pyscf bridge with atomic units	Eric Berquist	More...				27 days ago
test PES scans with atomic units	Eric Berquist	More...				27 days ago
test excited states with atomic units	Eric Berquist	More...				27 days ago
test single-point energies with atomic units	Eric Berquist	More...				27 days ago
test ccenergies with atomic units	Eric Berquist	More...				27 days ago
don't put atomic units behind future flag	Eric Berquist	More...				28 days ago
Merge pull request #1404 from berquist/optdone-as-list-now-default	Eric Berquist	More...				28 days ago
update optdone documentation	Eric Berquist	More...				28 days ago
split optdone and geo convergence tests; look for list of int	Eric Berquist	More...				28 days ago
DALTON: fix optdone list	Eric Berquist	More...				28 days ago
Merge pull request #1403 from berquist/update-readme-for-2.0-development	Eric Berquist	More...				28 days ago
update readme for 2.0 development	Eric Berquist	More...				28 days ago
metadata: test for success flag on SP	Eric Berquist	More...				28 days ago
MOPAC: fix detecting successful termination	Eric Berquist	More...				28 days ago
metadata: test for success flag on SP	Eric Berquist	More...				28 days ago
FChk: set metadata success for Gaussian 16	Eric Berquist	More...				28 days ago
metadata: default to not setting success at all	Eric Berquist	More...				28 days ago
chmod 644 data/FChk/basicQChem5.2/*	Eric Berquist	More...				28 days ago
update some file extensions from .FChk to .fchk	Eric Berquist	More...				28 days ago
Merge pull request #1400 from cclib/pre-commit-ci-update-config	Eric Berquist	More...				about 1 month ago
[pre-commit.ci] pre-commit autoupdate	pre-commit-ci[bot]	More...				about 1 month ago

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