Skip to content

Pull requests: MolSSI-BSE/basis_set_exchange

New pull request New
10 Open 123 Closed
10 Open 123 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
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Draft: Fix two issues with CRYSTAL ECP input and output
#336 opened Mar 12, 2025 by susilehtola Loading…
1
1
Fixing zorilla -> zorrilla
#334 opened Mar 7, 2025 by Leticia-maria Loading…
1
Update sigmaNZ with new elements and slight modifications
#332 opened Feb 24, 2025 by bennybp Loading…
Fix deprecation warnings
#328 opened Dec 4, 2024 by bennybp Loading…
1 of 2 tasks
WIP: Augmentation adds contracted exponents as free primitives
#232 opened Nov 9, 2021 by susilehtola Loading…
1
Implemented P-orthogonalization.
#205 opened Mar 4, 2021 by susilehtola Loading…
1
1
WIP: Implement manual augmentation
#204 opened Mar 3, 2021 by susilehtola Loading…
1
Split general contractions into blocks whenever possible
#199 opened Feb 26, 2021 by susilehtola Loading…
1
WIP: Implement def2-mTZVP and def2-mTZVPP
#197 opened Feb 25, 2021 by susilehtola Loading…
1
4
WIP: Add basic MINIX basis
#129 opened Nov 4, 2020 by susilehtola Loading…
1
ProTip! Add no:assignee to see everything that’s not assigned.