Skip to content

Pull requests: theochem/gbasis

New pull request New
10 Open 142 Closed
10 Open 142 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

Add screening to point charge integrals
#214 opened Sep 27, 2025 by marco-2023 Loading…
4 tasks done
Test direct density derivatives
#213 opened Sep 27, 2025 by marco-2023 Loading…
Fix pre-commit errors (#192)
#193 opened Jul 10, 2024 by leila-pujal Loading…
2 of 5 tasks
3
Fix memory usage issue in evaluate_density (#121)
#191 opened Jun 26, 2024 by msricher Loading…
5 tasks done
5
Add profiling capabilities to GBasis
#190 opened Jun 26, 2024 by msricher Loading…
5 tasks done
2
Add functions for 1rdms and 2-body exchange hole
#165 opened Jan 29, 2024 by sanchezw17 Loading…
1 of 5 tasks
17
Add nuclear gradient functions
#164 opened Jan 24, 2024 by msricher • Draft
1 of 5 tasks
1
Autograd
#153 opened Jan 11, 2024 by RichRick1 Loading…
@FarnazH @Ali-Tehrani
1
Fix linters and installation using editable mode
#151 opened Jan 10, 2024 by Ali-Tehrani Loading…
1 task
9
Add tests for density evaluations low priority Low priority issue
#94 opened Jun 26, 2019 by kimt33 Loading…
5 tasks done
@FarnazH
7
ProTip! Follow long discussions with comments:>50.