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Pseudopotentials and numeric orbitals for initial guess Build and test MRChem #783: Pull request #499 opened by moritzgubler
January 7, 2025 17:23 19m 43s moritzgubler:clean_pp_initial_guess
moritzgubler:clean_pp_initial_guess
January 7, 2025 17:23 19m 43s
Save or read orbitals in text format, portable and readable by MADNESS group Build and test MRChem #782: Pull request #498 synchronize by gitpeterwind
January 2, 2025 08:30 1m 5s gitpeterwind:text
gitpeterwind:text
January 2, 2025 08:30 1m 5s
Render programmers' manual in docs Build and test MRChem #781: Pull request #469 synchronize by robertodr
December 3, 2024 13:16 18m 51s programmers-docs
programmers-docs
December 3, 2024 13:16 18m 51s
Merge pull request #497 from ilfreddy/surface_forces Build and test MRChem #780: Commit ae09736 pushed by ilfreddy
November 27, 2024 12:22 14m 31s master
master
November 27, 2024 12:22 14m 31s
Surface forces (after rebasing #488) Build and test MRChem #779: Pull request #497 synchronize by ilfreddy
November 27, 2024 10:16 16m 45s ilfreddy:surface_forces
ilfreddy:surface_forces
November 27, 2024 10:16 16m 45s
Surface forces (after rebasing #488) Build and test MRChem #778: Pull request #497 synchronize by ilfreddy
November 27, 2024 10:11 16m 20s ilfreddy:surface_forces
ilfreddy:surface_forces
November 27, 2024 10:11 16m 20s
Surface forces (after rebasing #488) Build and test MRChem #777: Pull request #497 synchronize by stigrj
November 26, 2024 15:51 16m 50s ilfreddy:surface_forces
ilfreddy:surface_forces
November 26, 2024 15:51 16m 50s
Surface forces (after rebasing #488) Build and test MRChem #776: Pull request #497 synchronize by ilfreddy
November 20, 2024 11:08 16m 32s ilfreddy:surface_forces
ilfreddy:surface_forces
November 20, 2024 11:08 16m 32s
Surface forces (after rebasing #488) Build and test MRChem #775: Pull request #497 synchronize by ilfreddy
November 20, 2024 09:03 16m 47s ilfreddy:surface_forces
ilfreddy:surface_forces
November 20, 2024 09:03 16m 47s
Surface forces (after rebasing #488) Build and test MRChem #774: Pull request #497 synchronize by ilfreddy
November 9, 2024 08:09 18m 50s ilfreddy:surface_forces
ilfreddy:surface_forces
November 9, 2024 08:09 18m 50s
Surface forces (after rebasing #488) Build and test MRChem #773: Pull request #497 opened by ilfreddy
November 8, 2024 10:50 1m 12s ilfreddy:surface_forces
ilfreddy:surface_forces
November 8, 2024 10:50 1m 12s
Merge pull request #496 from moritzgubler/azora_all_potentials Build and test MRChem #772: Commit 72cb685 pushed by ilfreddy
November 7, 2024 13:36 13m 27s master
master
November 7, 2024 13:36 13m 27s
Atomic Zora Relativity Build and test MRChem #771: Pull request #496 synchronize by moritzgubler
November 6, 2024 12:03 18m 26s moritzgubler:azora_all_potentials
moritzgubler:azora_all_potentials
November 6, 2024 12:03 18m 26s
Core hole calculations with MOM / IMOM Build and test MRChem #770: Pull request #481 synchronize by ilfreddy
November 5, 2024 12:05 17m 52s msnik1999:mom_merged
msnik1999:mom_merged
November 5, 2024 12:05 17m 52s
Surface forces Build and test MRChem #769: Pull request #488 synchronize by moritzgubler
October 25, 2024 06:12 18m 3s moritzgubler:surface_forces
moritzgubler:surface_forces
October 25, 2024 06:12 18m 3s
Atomic Zora Relativity Build and test MRChem #768: Pull request #496 synchronize by moritzgubler
October 22, 2024 09:38 19m 35s moritzgubler:azora_all_potentials
moritzgubler:azora_all_potentials
October 22, 2024 09:38 19m 35s
Atomic Zora Relativity Build and test MRChem #767: Pull request #496 opened by moritzgubler
October 17, 2024 15:44 12m 18s moritzgubler:azora_all_potentials
moritzgubler:azora_all_potentials
October 17, 2024 15:44 12m 18s
Merge pull request #494 from moritzgubler/property/hirshfeld Build and test MRChem #766: Commit aa3868b pushed by stigrj
September 29, 2024 17:14 14m 26s master
master
September 29, 2024 17:14 14m 26s
Add Hirshfeld charge analysis Build and test MRChem #765: Pull request #494 synchronize by moritzgubler
September 27, 2024 12:35 17m 26s moritzgubler:property/hirshfeld
moritzgubler:property/hirshfeld
September 27, 2024 12:35 17m 26s
Add Hirshfeld charge analysis Build and test MRChem #764: Pull request #494 synchronize by moritzgubler
September 26, 2024 14:48 22m 22s moritzgubler:property/hirshfeld
moritzgubler:property/hirshfeld
September 26, 2024 14:48 22m 22s
Add Hirshfeld charge analysis Build and test MRChem #763: Pull request #494 synchronize by moritzgubler
September 25, 2024 14:49 20m 42s moritzgubler:property/hirshfeld
moritzgubler:property/hirshfeld
September 25, 2024 14:49 20m 42s
Add Hirshfeld charge analysis Build and test MRChem #762: Pull request #494 opened by moritzgubler
September 25, 2024 14:47 16m 10s moritzgubler:property/hirshfeld
moritzgubler:property/hirshfeld
September 25, 2024 14:47 16m 10s
Core hole calculations with MOM / IMOM Build and test MRChem #761: Pull request #481 synchronize by msnik1999
September 23, 2024 08:58 19m 59s msnik1999:mom_merged
msnik1999:mom_merged
September 23, 2024 08:58 19m 59s
Kappa minus one (#491) Build and test MRChem #760: Commit f258b45 pushed by stigrj
September 22, 2024 09:01 25m 28s master
master
September 22, 2024 09:01 25m 28s
Core hole calculations with MOM / IMOM Build and test MRChem #759: Pull request #481 synchronize by msnik1999
September 3, 2024 15:53 20m 8s msnik1999:mom_merged
msnik1999:mom_merged
September 3, 2024 15:53 20m 8s