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Merge pull request #497 from ilfreddy/surface_forces Singularity Build (docker) #64: Commit ae09736 pushed by ilfreddy
November 27, 2024 12:22 17m 42s master
master
November 27, 2024 12:22 17m 42s
Merge pull request #496 from moritzgubler/azora_all_potentials Singularity Build (docker) #63: Commit 72cb685 pushed by ilfreddy
November 7, 2024 13:36 16m 42s master
master
November 7, 2024 13:36 16m 42s
Merge pull request #494 from moritzgubler/property/hirshfeld Singularity Build (docker) #62: Commit aa3868b pushed by stigrj
September 29, 2024 17:14 16m 26s master
master
September 29, 2024 17:14 16m 26s
Kappa minus one (#491) Singularity Build (docker) #61: Commit f258b45 pushed by stigrj
September 22, 2024 09:01 16m 56s master
master
September 22, 2024 09:01 16m 56s
operator bugfix (#490) Singularity Build (docker) #60: Commit 03862bb pushed by robertodr
August 11, 2024 15:27 16m 21s master
master
August 11, 2024 15:27 16m 21s
Option to disable rotation in initial guess (#486) Singularity Build (docker) #59: Commit ad561b7 pushed by stigrj
May 30, 2024 12:55 17m 22s master
master
May 30, 2024 12:55 17m 22s
Merge pull request #483 from gitpeterwind/dftfix Singularity Build (docker) #58: Commit d5805a3 pushed by stigrj
May 2, 2024 06:53 19m 23s master
master
May 2, 2024 06:53 19m 23s
Merge pull request #480 from MRChemSoft/Gabrielgerez-patch-1 Singularity Build (docker) #57: Commit d770722 pushed by stigrj
May 1, 2024 09:56 17m 13s master
master
May 1, 2024 09:56 17m 13s
Update doc/users/user_inp.rst Singularity Build (docker) #56: Commit 1e7ea8e pushed by gitpeterwind
February 21, 2024 08:29 16m 35s master
master
February 21, 2024 08:29 16m 35s
Add poisson-boltzmann to the SCRF (#450) Singularity Build (docker) #55: Commit 698e74f pushed by ilfreddy
February 14, 2024 12:25 18m 55s master
master
February 14, 2024 12:25 18m 55s
correct numAtoms in xyz writer Singularity Build (docker) #54: Commit b94438c pushed by stigrj
February 6, 2024 12:25 16m 10s master
master
February 6, 2024 12:25 16m 10s
Merge pull request #479 from MRChemSoft/fix-476 Singularity Build (docker) #53: Commit 4b6acfe pushed by Gabrielgerez
February 6, 2024 09:42 16m 24s master
master
February 6, 2024 09:42 16m 24s
MRChem-v1.1.4: Bugfix release Singularity Build (docker) #52: Release v1.1.4 published by stigrj
January 17, 2024 13:03 15m 48s
January 17, 2024 13:03 15m 48s
Merge pull request #477 from stigrj/fix/magnetic Singularity Build (docker) #51: Commit a1c6199 pushed by stigrj
January 17, 2024 07:50 16m 21s master
master
January 17, 2024 07:50 16m 21s
Linear response with solvent (#471) Singularity Build (docker) #50: Commit 9de2280 pushed by robertodr
November 24, 2023 12:51 16m 11s master
master
November 24, 2023 12:51 16m 11s
Refactor the Permittivity function (#465) Singularity Build (docker) #49: Commit 887a887 pushed by robertodr
November 21, 2023 13:13 15m 44s master
master
November 21, 2023 13:13 15m 44s
Convert default radii to bohr when input units are not angstrom (#473) Singularity Build (docker) #48: Commit 2dcd68d pushed by robertodr
November 20, 2023 15:51 16m 15s master
master
November 20, 2023 15:51 16m 15s
cavity function used directly instead of projected first (#458) Singularity Build (docker) #47: Commit f0d0560 pushed by robertodr
November 2, 2023 10:24 22m 19s master
master
November 2, 2023 10:24 22m 19s