Skip to content

Pull requests: theochem/PyCI

New pull request New
15 Open 53 Closed
15 Open 53 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Performance improvement for compute_enpt2 and add_hci
#113 opened Dec 20, 2025 by peter-reinholdt Loading…
Add option to use 64-bit rapidhash for MacOS build
#104 opened Mar 6, 2025 by msricher Loading…
13
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
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…
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.