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update znh5md and apax
tests #966: Pull request #310 synchronize by PythonFZ
July 25, 2024 07:58 17m 37s h5md
July 25, 2024 07:58 17m 37s
update to uncertainty metrics, fix for stability check
tests #965: Pull request #304 synchronize by pre-commit-ci bot
July 24, 2024 16:33 26m 3s cal_stability
July 24, 2024 16:33 26m 3s
update znh5md and apax
tests #964: Pull request #310 synchronize by PythonFZ
July 24, 2024 16:33 18m 40s h5md
July 24, 2024 16:33 18m 40s
update to uncertainty metrics, fix for stability check
tests #963: Pull request #304 synchronize by M-R-Schaefer
July 24, 2024 16:32 29m 19s cal_stability
July 24, 2024 16:32 29m 19s
update to uncertainty metrics, fix for stability check
tests #962: Pull request #304 synchronize by M-R-Schaefer
July 24, 2024 16:31 20m 7s cal_stability
July 24, 2024 16:31 20m 7s
update znh5md and apax
tests #961: Pull request #310 synchronize by PythonFZ
July 24, 2024 16:11 17m 52s h5md
July 24, 2024 16:11 17m 52s
update znh5md and apax
tests #960: Pull request #310 synchronize by pre-commit-ci bot
July 24, 2024 16:07 18m 35s h5md
July 24, 2024 16:07 18m 35s
update znh5md and apax
tests #959: Pull request #310 synchronize by PythonFZ
July 24, 2024 16:06 19m 41s h5md
July 24, 2024 16:06 19m 41s
update znh5md and apax
tests #958: Pull request #310 synchronize by pre-commit-ci bot
July 24, 2024 14:00 15m 42s h5md
July 24, 2024 14:00 15m 42s
update znh5md and apax
tests #957: Pull request #310 synchronize by PythonFZ
July 24, 2024 14:00 15m 56s h5md
July 24, 2024 14:00 15m 56s
update to uncertainty metrics, fix for stability check
tests #956: Pull request #304 synchronize by M-R-Schaefer
July 24, 2024 13:06 22m 6s cal_stability
July 24, 2024 13:06 22m 6s
update znh5md and apax
tests #955: Pull request #310 synchronize by PythonFZ
July 24, 2024 12:19 15m 20s h5md
July 24, 2024 12:19 15m 20s
Disable broken test (#314)
tests #954: Commit 81c2b26 pushed by PythonFZ
July 24, 2024 12:18 27m 49s main
July 24, 2024 12:18 27m 49s
Disable broken test
tests #953: Pull request #314 synchronize by pre-commit-ci bot
July 24, 2024 11:40 27m 46s disable-tests
July 24, 2024 11:40 27m 46s
Disable broken test
tests #952: Pull request #314 opened by PythonFZ
July 24, 2024 11:40 27m 2s disable-tests
July 24, 2024 11:40 27m 2s
update znh5md and apax
tests #951: Pull request #310 synchronize by PythonFZ
July 24, 2024 11:28 15m 25s h5md
July 24, 2024 11:28 15m 25s
orca single point fix
tests #950: Pull request #313 synchronize by pre-commit-ci bot
July 24, 2024 07:59 18m 15s fix-orca-single-point
July 24, 2024 07:59 18m 15s
orca single point fix
tests #949: Pull request #313 opened by Tetracarbonylnickel
July 24, 2024 07:59 19m 28s fix-orca-single-point
July 24, 2024 07:59 19m 28s
update znh5md and apax
tests #948: Pull request #310 synchronize by pre-commit-ci bot
July 23, 2024 11:45 25s h5md
July 23, 2024 11:45 25s
update znh5md and apax
tests #947: Pull request #310 synchronize by PythonFZ
July 23, 2024 11:44 25s h5md
July 23, 2024 11:44 25s
update znh5md and apax
tests #946: Pull request #310 synchronize by pre-commit-ci bot
July 23, 2024 09:42 21s h5md
July 23, 2024 09:42 21s
update znh5md and apax
tests #945: Pull request #310 synchronize by PythonFZ
July 23, 2024 09:41 19s h5md
July 23, 2024 09:41 19s
Added Trajectory conversion to GMX
tests #944: Pull request #308 synchronize by PythonFZ
July 23, 2024 06:00 17m 43s gmx-atoms
July 23, 2024 06:00 17m 43s
[pre-commit.ci] pre-commit autoupdate
tests #943: Pull request #227 synchronize by pre-commit-ci bot
July 22, 2024 21:34 17m 52s pre-commit-ci-update-config
July 22, 2024 21:34 17m 52s
Allow for external ITP / PDB files
tests #942: Pull request #311 synchronize by pre-commit-ci bot
July 22, 2024 13:46 18m 3s ext-gmx-files
July 22, 2024 13:46 18m 3s