Skip to content

Pull requests: psi4/psi4

New pull request New
62 Open 1,867 Closed
62 Open 1,867 Closed
Author
Filter by author
Label
Filter by label
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Milestones
Filter by milestone
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

Eliminate casting of Dimension objects to pointers within libmoinfo
#3177 opened Jun 1, 2024 by TiborGY Loading…
6 of 9 tasks
memdf in saptdft
#3173 opened May 23, 2024 by Awallace3 Loading…
9 tasks
SAPT0-D4M
#3172 opened May 22, 2024 by Awallace3 Loading…
9 tasks
3
separate sapt0 terms in fisapt code
#3171 opened May 22, 2024 by loriab • Draft
9 tasks
Ghost atom and ECPs bug fix
#3167 opened May 20, 2024 by btyrcha Loading…
5 of 8 tasks
7
Make aliases for MGGA_ DFTs and PW91 consistent
#3166 opened May 16, 2024 by KB1RD Loading…
6 tasks done
test einsums env solving
#3163 opened May 2, 2024 by loriab • Draft
9 tasks
QCManyBody in DDD bug driver For issues that are specifically about Psi's driver. external-interface For issues about interfaces with external programs: ADCC, CheMPS2, GDMA, MRCC... schema deploys or develops MolSSI/QCSchema
#3160 opened Apr 23, 2024 by loriab Loading…
20 of 22 tasks
Psi4 1.10
SCF_COSX_GUESS: COSX->DirectJK/LinK JK build
#3158 opened Apr 22, 2024 by davpoolechem • Draft
7 of 10 tasks
Least Squares Tensor Hypercontraction (LS-THC) for ERIs (Part 1)
#3157 opened Apr 21, 2024 by andyj10224 Loading…
8 tasks done
38
Interface Psi4 to GauXC's sn-LinK
#3150 opened Mar 22, 2024 by davpoolechem Loading…
8 of 9 tasks
83
Added possibility to pass external hamiltonian
#3149 opened Mar 21, 2024 by timostrunk Loading…
3 of 7 tasks
1
Fix initial cartesian units backport bug
#3148 opened Mar 21, 2024 by timostrunk Loading…
6 of 7 tasks
1
3
Orbitals should be multiplied by sqrt(occ) not occ
#3138 opened Feb 24, 2024 by susilehtola Loading…
2 of 9 tasks
1
5
openorbitaloptimizer
#3136 opened Feb 23, 2024 by loriab • Draft
8 tasks
MintsHelper: OMP on helper and getter fxns
#3128 opened Jan 30, 2024 by EricaCMitchell Loading…
9 tasks done
30
try DPD init rework
#3114 opened Dec 22, 2023 by TiborGY • Draft
8 tasks
2
Implement fixed reference variant of DirectJK.
#3111 opened Dec 16, 2023 by susilehtola Loading…
4 of 9 tasks
11
[Draft] MP2-F12
#3110 opened Dec 15, 2023 by EricaCMitchell • Draft
7 of 14 tasks
13
Print final MBIS shell populations and widths
#3102 opened Dec 9, 2023 by kzinovjev Loading…
4 tasks done
3
Reboot - Density Screening Refactor Part 2: Implementation of shell_significant()
#3098 opened Dec 8, 2023 by davpoolechem Loading…
9 tasks
Fixes to SCF_TYPE + SCF_SUBTYPE + SCREENING Combinations
#3060 opened Oct 10, 2023 by davpoolechem Loading…
7 of 8 tasks
Psi4 1.10
7
Pydantic API v2
#3034 opened Aug 24, 2023 by loriab Loading…
9 tasks
Psi4 1.10
4
Cleanup remove_distant_points function.
#3012 opened Jul 12, 2023 by susilehtola Loading…
2 of 9 tasks
2
Begone, ERISieve (Actually!)
#3009 opened Jul 11, 2023 by davpoolechem Loading…
6 of 7 tasks
3
ProTip! Add no:assignee to see everything that’s not assigned.