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numpy.NINF replaced by -numpy.inf ci #110: Commit 60706b7 pushed by berquist
January 8, 2025 04:18 11m 7s numpy-2-fixes
numpy-2-fixes
January 8, 2025 04:18 11m 7s
CI: temporarily fix publishing to (Test)PyPI ci #109: Commit 98ff6b9 pushed by berquist
January 8, 2025 03:48 11m 30s temp-fix-publishing
temp-fix-publishing
January 8, 2025 03:48 11m 30s
[pre-commit.ci] auto fixes from pre-commit.com hooks ci #108: Commit c4f51f7 pushed by pre-commit-ci bot
January 8, 2025 03:37 10m 58s temp-fix-publishing
temp-fix-publishing
January 8, 2025 03:37 10m 58s
CI: temporarily fix publishing to (Test)PyPI ci #107: Commit 9996c4a pushed by berquist
January 8, 2025 03:33 11m 16s temp-fix-publishing
temp-fix-publishing
January 8, 2025 03:33 11m 16s
numpy.NINF replaced by -numpy.inf ci #106: Commit 0dc3e2c pushed by berquist
December 23, 2024 04:13 11m 15s numpy-2-fixes
numpy-2-fixes
December 23, 2024 04:13 11m 15s
Gaussian: parse charges derived from the electrostatic potential ci #105: Commit bb69915 pushed by berquist
December 13, 2024 04:17 2m 12s 1504-gaussian-atomcharges
1504-gaussian-atomcharges
December 13, 2024 04:17 2m 12s
Gaussian: move atomspins and atomcharges strings to object members ci #104: Commit ed9fecc pushed by berquist
November 29, 2024 20:00 11m 30s 1504-gaussian-atomcharges
1504-gaussian-atomcharges
November 29, 2024 20:00 11m 30s
Jaguar: fix for <= 6 normal modes ci #103: Commit 375ab2f pushed by berquist
October 24, 2024 20:03 11m 9s 911-jaguar-few-vibrational-modes
911-jaguar-few-vibrational-modes
October 24, 2024 20:03 11m 9s
NWChem: fix for fixed-width mass-weighted Hessian ci #102: Commit c1a20af pushed by berquist
October 24, 2024 17:11 11m 8s old-nwchem-frequencies
old-nwchem-frequencies
October 24, 2024 17:11 11m 8s
revert https://github.com/cclib/cclib/pull/1414 ci #101: Commit 8b0868f pushed by berquist
October 23, 2024 15:22 2h 2m 4s 1482-revert-atomic-units-on-master
1482-revert-atomic-units-on-master
October 23, 2024 15:22 2h 2m 4s
revert https://github.com/cclib/cclib/pull/1405 ci #100: Commit 891424a pushed by berquist
October 23, 2024 02:30 11m 59s 1482-revert-atomic-units-on-master
1482-revert-atomic-units-on-master
October 23, 2024 02:30 11m 59s
xTB: test for atomcoords when elements have two-letter symbols ci #99: Commit 48cbef5 pushed by berquist
October 20, 2024 20:41 4m 19s 1448-xtb-two-letter-element-coordinates
1448-xtb-two-letter-element-coordinates
October 20, 2024 20:41 4m 19s
Nix: reenable build in CI ci #98: Commit 0bbafdf pushed by berquist
October 20, 2024 20:18 4h 5m 58s nix-flake-update
nix-flake-update
October 20, 2024 20:18 4h 5m 58s
Gaussian: parsing performance info now inside the version/keyword block ci #97: Commit 2e98549 pushed by berquist
October 20, 2024 20:13 11m 6s 1491-parse-comment-to-metadata
1491-parse-comment-to-metadata
October 20, 2024 20:13 11m 6s
Gaussian: parse keyword and comment lines ci #96: Commit c6787ba pushed by berquist
October 20, 2024 16:55 2m 1s 1491-parse-comment-to-metadata
1491-parse-comment-to-metadata
October 20, 2024 16:55 2m 1s
[pre-commit.ci] auto fixes from pre-commit.com hooks ci #95: Commit 1eb013f pushed by pre-commit-ci bot
October 16, 2024 15:50 1m 48s qcjson
qcjson
October 16, 2024 15:50 1m 48s
switch QCSchema to organization fork ci #94: Commit fb328dd pushed by berquist
October 16, 2024 15:49 1m 58s qcjson
qcjson
October 16, 2024 15:49 1m 58s
add cffconvert to Nix devshell ci #93: Commit 0fa2d48 pushed by berquist
October 16, 2024 15:45 3m 5s citation-cff
citation-cff
October 16, 2024 15:45 3m 5s
Gaussian09/OPT_td.out is actually Gaussian 03 ci #92: Commit 65a636a pushed by berquist
October 15, 2024 12:20 4m 20s move-gaussian03-opt-td
move-gaussian03-opt-td
October 15, 2024 12:20 4m 20s
remove walrus operator to support Python 3.7 ci #91: Commit 05f6f3b pushed by berquist
October 4, 2024 03:15 2m 19s master-into-main
master-into-main
October 4, 2024 03:15 2m 19s
Merge branch 'master' into master-into-main ci #90: Commit 7dbaf61 pushed by berquist
October 4, 2024 02:49 2m 21s master-into-main
master-into-main
October 4, 2024 02:49 2m 21s
Merge pull request #1461 from Andrew-S-Rosen/paper ci #89: Commit 88ffa1c pushed by berquist
September 29, 2024 01:13 2m 19s master-into-main
master-into-main
September 29, 2024 01:13 2m 19s
Don't run nix build in CI ci #88: Commit 759deee pushed by berquist
August 29, 2024 14:09 11m 18s disable-nix-build
disable-nix-build
August 29, 2024 14:09 11m 18s
Nix: full build in CI ci #87: Commit ea23b18 pushed by berquist
August 24, 2024 18:33 3h 58m 9s nix-build-fixes
nix-build-fixes
August 24, 2024 18:33 3h 58m 9s
fix type comparisons ci #86: Commit c64e77d pushed by berquist
August 24, 2024 15:54 11m 1s lints-and-type-annotations
lints-and-type-annotations
August 24, 2024 15:54 11m 1s