Jan 17, 2023
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Jan 17, 2024
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Commit Message | Contributor | Files Modified | Lines Added | Lines Removed | Code Location | Date |
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Merge pull request #2569 from e-kwsm/bind2nd | More... | over 1 year ago | ||||
Fix potential crash reading and writing CJSON files (#2612) | More... | over 1 year ago | ||||
updated runner python setup (#2592) | More... | over 1 year ago | ||||
Write x and y, not x and x (#2596) | More... | over 1 year ago | ||||
obrms improvements | More... | over 1 year ago | ||||
Fixed alignment of partial charges for PDBQT-files | More... | over 1 year ago | ||||
fix bug when read gro file as first residue idx is 0 * when the first resid is 0, it will trigger object res without initialization * fix with check whether object res is nullptr | More... | over 1 year ago | ||||
refactor: remove deprecated std::bind2nd | More... | almost 2 years ago | ||||
fix: vaspformat | More... | almost 2 years ago |