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Pull requests: cclib/cclib-data

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Pull requests list

chore(deps): update cachix/install-nix-action digest to 1ca7d21 dependencies github_actions
#269 opened Mar 10, 2026 by renovate bot Loading…
1 task
chore(deps): update pre-commit hook zizmorcore/zizmor-pre-commit to v1.23.1 dependencies pre-commit
#268 opened Mar 8, 2026 by renovate bot Loading…
1 task
chore(deps): lock file maintenance dependencies nix
#265 opened Feb 16, 2026 by renovate bot Loading…
1 task
QChem: ALMO-CIS excited state calculation QChem regression
#230 opened Jul 6, 2025 by berquist • Draft
ORCA: singly-excited state calculation with over 1000 MOs ORCA regression
#229 opened Jul 5, 2025 by berquist • Draft
Gaussian: linear molecule with stars for rotational constant Gaussian regression
#223 opened Jun 9, 2025 by berquist • Draft
Gaussian: constrained geometry optimization + frequencies Gaussian regression
#217 opened Jun 5, 2025 by berquist Loading…
problem file for issue 1009-overlap bug GAMESS
#177 opened Sep 29, 2023 by amandadumi Loading…
2
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