+
Skip to content

Pull requests: pyscf/pyscf

New pull request New
12 Open 1,125 Closed
12 Open 1,125 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

Lattice sum range check
#2903 opened Jul 18, 2025 by sunqm Loading…
Fix a bug in KUKS+U linear-response U method
#2901 opened Jul 17, 2025 by sunqm Loading…
Analytical gradients for DFT+U methods
#2899 opened Jul 16, 2025 by sunqm • Draft
Multigrid API updates
#2890 opened Jul 8, 2025 by sunqm Loading…
2
Release 2.10
#2889 opened Jul 8, 2025 by sunqm Loading…
Update boys.py
#2497 opened Nov 4, 2024 by peggjt Loading…
1
Use the logger instead of stderr for warnings in the pbc modules
#2316 opened Jul 12, 2024 by william-dawson Loading…
9
Implementation of Fixed-Size APC
#2023 opened Jan 14, 2024 by dking072 Loading…
3
fixing frozen for FNO
#2021 opened Jan 11, 2024 by hongzhouye • Draft
9
Add DCSD
#1858 opened Sep 11, 2023 by verena-neufeld • Draft
4
Use normalized error basis in DIIS
#1124 opened Dec 8, 2021 by susilehtola Loading…
8
WIP: implement the superposition of fitted atomic potentials guess
#566 opened Mar 24, 2020 by susilehtola Loading…
1
ProTip! Filter pull requests by the default branch with base:master.
点击 这是indexloc提供的php浏览器服务，不要输入任何密码和下载