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SCM-NV / PLAMS Public

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Add delete_atoms method and use bonding info for add_hatoms SO107#178

Merged

GiulioIlBen merged 8 commits intotrunkSCM-NV/PLAMS:trunkfrom DavidOrmrodMorley/molecule_add_hatoms_fixSCM-NV/PLAMS:DavidOrmrodMorley/molecule_add_hatoms_fixCopy head branch name to clipboard

Dec 20, 2024

+526-14

Conversation Commits8 (8)Checks Files changed

Commits

Commits on Dec 16, 2024

Add delete_atoms method to molecule SCMSUITE-9742 SO107
dormrod
committed
Using bonding information in add_hatoms SCMSUITE-10114 SO107
dormrod
committed
Update changelog SCMSUITE-10114 SO107
dormrod
committed
Add fragment xyz file for unit tests SCMSUITE-10114 SO107
dormrod
committed
Fix for mypy SCMSUITE-10114 SO107
dormrod
committed
Use bonding information from amsprep for add_hatoms SCMSUITE-10114 SO107
dormrod
committed

Commits on Dec 20, 2024

added some tutorials
Giulio Benedini
committed
Small tweaks to example
dormrod
committed

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