Skip to content

Actions: grimme-lab/xtb

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
899 workflow runs
899 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Close Stale Close Stale #534: Scheduled
February 24, 2025 00:18 2s main
main
February 24, 2025 00:18 2s
Close Stale Close Stale #533: Scheduled
February 23, 2025 00:19 1s main
main
February 23, 2025 00:19 1s
Close Stale Close Stale #532: Scheduled
February 22, 2025 00:17 3s main
main
February 22, 2025 00:17 3s
Close Stale Close Stale #531: Scheduled
February 21, 2025 00:18 2s main
main
February 21, 2025 00:18 2s
Possibility to skip geo opt with aISS (#1198) CI #1755: Commit 76c1f5a pushed by cplett
February 20, 2025 15:45 9m 19s main
main
February 20, 2025 15:45 9m 19s
Possibility to skip the geometry optimizations during aISS docking CI #1754: Pull request #1198 synchronize by cplett
February 20, 2025 12:51 4m 31s cplett:main
cplett:main
February 20, 2025 12:51 4m 31s
Close Stale Close Stale #530: Scheduled
February 20, 2025 00:18 2s main
main
February 20, 2025 00:18 2s
Update model_hessian.f90 (#1177) CI #1753: Commit 65e9c14 pushed by marvinfriede
February 19, 2025 14:43 9m 5s main
main
February 19, 2025 14:43 9m 5s
Possibility to skip the geometry optimizations during aISS docking CI #1752: Pull request #1198 opened by cplett
February 19, 2025 12:55 8m 12s cplett:main
cplett:main
February 19, 2025 12:55 8m 12s
Close Stale Close Stale #529: Scheduled
February 19, 2025 00:18 3s main
main
February 19, 2025 00:18 3s
Speed-up hot path of GFN2 geometry optimization CI #1751: Pull request #1178 synchronize by foxtran
February 18, 2025 15:51 8m 36s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 18, 2025 15:51 8m 36s
Close Stale Close Stale #528: Scheduled
February 18, 2025 00:17 2s main
main
February 18, 2025 00:17 2s
Close Stale Close Stale #527: Scheduled
February 17, 2025 00:19 3s main
main
February 17, 2025 00:19 3s
Close Stale Close Stale #526: Scheduled
February 16, 2025 00:19 2s main
main
February 16, 2025 00:19 2s
Remove unused get_realspace_cutoff call (#1196) CI #1750: Commit c07df7a pushed by marvinfriede
February 15, 2025 07:50 8m 3s main
main
February 15, 2025 07:50 8m 3s
Close Stale Close Stale #525: Scheduled
February 15, 2025 00:17 2s main
main
February 15, 2025 00:17 2s
Avoid 0-indexed access in search_nci.f90 (#1192) CI #1749: Commit b28fbff pushed by marvinfriede
February 14, 2025 22:03 8m 31s main
main
February 14, 2025 22:03 8m 31s
Close Stale Close Stale #524: Scheduled
February 14, 2025 00:17 2s main
main
February 14, 2025 00:17 2s
No fixing for MD runs Close Stale #523: Issue #1197 labeled by foxtran
February 13, 2025 18:02 3s
February 13, 2025 18:02 3s
Avoid division by zero in xtb/gfn0 and xtb/GFN0-xTB tests CI #1748: Pull request #1196 opened by foxtran
February 13, 2025 09:10 8m 54s foxtran:fix/gfn0
foxtran:fix/gfn0
February 13, 2025 09:10 8m 54s
Enable CMake Debug builds CI #1747: Pull request #1184 synchronize by foxtran
February 13, 2025 08:37 9m 49s foxtran:check/CI
foxtran:check/CI
February 13, 2025 08:37 9m 49s
Speed-up hot path of GFN2 geometry optimization CI #1746: Pull request #1178 synchronize by foxtran
February 13, 2025 08:36 7m 58s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 13, 2025 08:36 7m 58s
Update OpenMP parallelization in WSC to avoid data-races (#1191) CI #1745: Commit 8964b4f pushed by marvinfriede
February 13, 2025 08:34 8m 55s main
main
February 13, 2025 08:34 8m 55s
Update OpenMP parallelization in WSC to avoid data-races CI #1744: Pull request #1191 synchronize by foxtran
February 13, 2025 08:23 8m 20s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 13, 2025 08:23 8m 20s
Update OpenMP parallelization in WSC to avoid data-races CI #1743: Pull request #1191 synchronize by foxtran
February 13, 2025 08:21 9m 29s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 13, 2025 08:21 9m 29s