Skip to content

Actions: davidkastner/pyEF

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
139 workflow runs
139 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Generalized multifwn to work on different clusters CI #114: Pull request #36 opened by davidkastner
June 10, 2024 19:21 1m 34s generalize-multiwfn
generalize-multiwfn
June 10, 2024 19:21 1m 34s
CI CI #113: Scheduled
June 9, 2024 00:16 2m 25s main
main
June 9, 2024 00:16 2m 25s
Merge pull request #35 from davidkastner/switch-to-config CI #112: Commit 51814f4 pushed by davidkastner
June 7, 2024 20:42 3m 9s main
main
June 7, 2024 20:42 3m 9s
Switching to using a config.yaml CI #111: Pull request #35 opened by davidkastner
June 7, 2024 20:42 1m 29s switch-to-config
switch-to-config
June 7, 2024 20:42 1m 29s
Merge pull request #34 from davidkastner/fixFemolden CI #110: Commit 702bfc9 pushed by mane292
June 6, 2024 20:13 2m 22s main
main
June 6, 2024 20:13 2m 22s
Added fix to ensure that Fe with ECP molden files are in correct format CI #109: Pull request #34 opened by mane292
June 6, 2024 20:13 1m 28s fixFemolden
fixFemolden
June 6, 2024 20:13 1m 28s
Merge pull request #33 from davidkastner/fixEfieldptchgs CI #108: Commit ef9e791 pushed by mane292
June 6, 2024 18:19 2m 17s main
main
June 6, 2024 18:19 2m 17s
Fixed indexing issue with Efield calculation that included partial ch… CI #107: Pull request #33 opened by mane292
June 6, 2024 18:19 1m 27s fixEfieldptchgs
fixEfieldptchgs
June 6, 2024 18:19 1m 27s
CI CI #106: Scheduled
June 2, 2024 00:15 1m 24s main
main
June 2, 2024 00:15 1m 24s
Merge pull request #32 from davidkastner/fix_atomwiseESPptch CI #105: Commit e336255 pushed by mane292
May 29, 2024 15:12 2m 12s main
main
May 29, 2024 15:12 2m 12s
Fixed partial charge function CI #104: Pull request #32 opened by mane292
May 29, 2024 15:12 1m 52s fix_atomwiseESPptch
fix_atomwiseESPptch
May 29, 2024 15:12 1m 52s
Merge pull request #31 from davidkastner/ESPanalysisMultipleAtoms CI #103: Commit 3fe7fc2 pushed by mane292
May 29, 2024 14:51 2m 10s main
main
May 29, 2024 14:51 2m 10s
Added function to just compute partial charges for set of atom Indices CI #102: Pull request #31 opened by mane292
May 29, 2024 14:51 1m 36s ESPanalysisMultipleAtoms
ESPanalysisMultipleAtoms
May 29, 2024 14:51 1m 36s
CI CI #101: Scheduled
May 26, 2024 00:15 1m 29s main
main
May 26, 2024 00:15 1m 29s
CI CI #100: Scheduled
May 19, 2024 00:15 1m 41s main
main
May 19, 2024 00:15 1m 41s
Merge pull request #30 from davidkastner/EfieldcompatwithMM CI #99: Commit 563d5bf pushed by mane292
May 14, 2024 20:25 2m 16s main
main
May 14, 2024 20:25 2m 16s
Efieldcompatwith mm CI #98: Pull request #30 opened by mane292
May 14, 2024 20:25 1m 21s EfieldcompatwithMM
EfieldcompatwithMM
May 14, 2024 20:25 1m 21s
Merge pull request #29 from davidkastner/QMMMpoint CI #97: Commit 1f85efe pushed by mane292
May 14, 2024 14:21 2m 27s main
main
May 14, 2024 14:21 2m 27s
Added ESP compatibility with point charges from MM calculation CI #96: Pull request #29 opened by mane292
May 14, 2024 14:21 1m 34s QMMMpoint
QMMMpoint
May 14, 2024 14:21 1m 34s
CI CI #95: Scheduled
May 12, 2024 00:14 1m 32s main
main
May 12, 2024 00:14 1m 32s
CI CI #94: Scheduled
May 5, 2024 00:14 2m 21s main
main
May 5, 2024 00:14 2m 21s
CI CI #93: Scheduled
April 28, 2024 00:15 6h 0m 15s main
main
April 28, 2024 00:15 6h 0m 15s
CI CI #92: Scheduled
April 21, 2024 00:14 1m 42s main
main
April 21, 2024 00:14 1m 42s
CI CI #91: Scheduled
April 14, 2024 00:16 1m 47s main
main
April 14, 2024 00:16 1m 47s
Merge pull request #28 from davidkastner/makeDielectriccontrol CI #90: Commit 351e829 pushed by mane292
April 9, 2024 13:21 2m 19s main
main
April 9, 2024 13:21 2m 19s