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Pull requests: theochem/PyCI

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Pull requests list

Add Issue Templates for Bug Report, Feature Request, Documentation, and General Issues
#93 opened Jan 9, 2025 by q-pratz-chem Loading…
NonSingletCI Class, AP1roGSDGeneralizedSen-o Wfn
#92 opened Jan 9, 2025 by q-pratz-chem Loading…
#82 Update genciwfn.cpp
#91 opened Jan 6, 2025 by pm-235779 Loading…
4
Fix wrong dependency (#86)
#90 opened Dec 13, 2024 by msricher Loading…
1
1
Cibuildwheel Attempt
#89 opened Dec 13, 2024 by FanwangM Loading…
Add more Python version support
#88 opened Dec 12, 2024 by FanwangM Loading…
Attempt to support MacOS
#81 opened Nov 2, 2024 by FanwangM Loading…
2 tasks
Fix type for Windows OS
#80 opened Oct 31, 2024 by FanwangM Loading…
Use cibuildwheel for building PyPI releases
#79 opened Oct 31, 2024 by FanwangM Loading…
Initial FanPT Implementation
#70 opened Jun 12, 2024 by carlosevmoura Loading…
2
Update constraints.py
#69 opened Jun 12, 2024 by Jonathan-Lindley Loading…
1
Add Q constraint
#68 opened May 23, 2024 by alnaba1 Loading…
48 pt2
#67 opened May 16, 2024 by Pavlo3P Loading…
2
[pre-commit.ci] pre-commit autoupdate
#41 opened Apr 15, 2024 by pre-commit-ci bot Loading…
Adding RMSD
#38 opened Apr 9, 2024 by AlexandreDeCamargo Loading…
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