Skip to content

Actions: AlexHeide/optking

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
12 workflow runs
12 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Adds freeze_all_dihedrals option CI #48: Commit f6edbed pushed by AlexHeide
August 21, 2024 18:38 23m 41s freeze_all
freeze_all
August 21, 2024 18:38 23m 41s
Merge branch 'psi-rking:master' into custom_coords CI #47: Commit 16bd7ac pushed by AlexHeide
August 19, 2024 20:58 23m 28s custom_coords
custom_coords
August 19, 2024 20:58 23m 28s
Bypassses psi4 option checking for new keywords CI #46: Commit fdb6932 pushed by AlexHeide
August 19, 2024 20:27 23m 11s custom_coords
custom_coords
August 19, 2024 20:27 23m 11s
Bypassses psi4 option checking for new keywords CI #45: Pull request #8 opened by katrosestan
August 16, 2024 21:24 23m 44s katrosestan:fix_tests
katrosestan:fix_tests
August 16, 2024 21:24 23m 44s
Fixes tests until psi4 options updated CI #44: Commit 1c593eb pushed by AlexHeide
August 13, 2024 21:54 22m 58s ts_tests
ts_tests
August 13, 2024 21:54 22m 58s
Fixes tests until psi4 options updated CI #43: Commit f5711fe pushed by AlexHeide
August 13, 2024 21:45 23m 21s image_rfo
image_rfo
August 13, 2024 21:45 23m 21s
Adds option to freeze all dihedral angles in molecule CI #42: Commit 3352365 pushed by AlexHeide
July 24, 2024 17:44 22m 47s custom_coords
custom_coords
July 24, 2024 17:44 22m 47s
Fixes index naming in displace CI #41: Commit d07264c pushed by AlexHeide
July 11, 2024 15:23 22m 45s image_rfo
image_rfo
July 11, 2024 15:23 22m 45s
Merge branch 'master' into image_rfo CI #40: Commit 526120e pushed by AlexHeide
July 2, 2024 14:15 22m 42s image_rfo
image_rfo
July 2, 2024 14:15 22m 42s
Relaxes force check for rejecting roots. Updates steps required CI #39: Commit 5560de1 pushed by AlexHeide
July 1, 2024 21:30 22m 39s image_rfo
image_rfo
July 1, 2024 21:30 22m 39s
Adds option to freeze all torsions and then unfreeze a subset CI #38: Commit 53ea698 pushed by AlexHeide
June 6, 2024 19:32 23m 56s custom_coords
custom_coords
June 6, 2024 19:32 23m 56s
Adds comments to print supression for backtransform CI #37: Commit 58089e6 pushed by AlexHeide
June 5, 2024 19:50 23m 30s image_rfo
image_rfo
June 5, 2024 19:50 23m 30s