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Commits

Commits on Jun 1, 2025

Merge pull request #85 from coltonbh/feature-remove-cheminformatics-functions
coltonbh
authored
Moved all constants and periodic table data to qcconst package. Moved all cheminformatics functions to qcinf package. Updated package layout to src/qcio.
coltonbh
committed

Commits on Apr 1, 2025

Bumped version to 0.14.0. Updated CHANGELOG.
coltonbh
committed
Merge pull request #82 from coltonbh/feature-assist-qcparse-qccodec-refactor
coltonbh
authored
Added BaseModel.open_multi() to open and return a list of objects. Structure.open() now only returns a single Structure rather than optionally a list[Structure]. Removed backwards compatibility cla…
coltonbh
committed

Commits on Mar 1, 2025

Added Issues templates
coltonbh
authored

Commits on Feb 18, 2025

Commits on Feb 6, 2025

Commits on Jan 16, 2025

Bumped version to 0.12.1. Updated CHANGELOG.
coltonbh
committed

Commits on Dec 20, 2024

Commits on Dec 19, 2024

Commits on Dec 18, 2024

Commits on Dec 11, 2024

Commits on Nov 13, 2024

Bumped version to 0.11.16. Updated CHANGELOG.
coltonbh
committed

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