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Test system (#116) pytest #26: Commit b99faae pushed by juraskov
December 9, 2024 13:45 6m 24s main
main
December 9, 2024 13:45 6m 24s
Bump codecov/codecov-action from 4 to 5 in the gha-dependencies group… pytest #25: Commit 8e58b3c pushed by juraskov
December 2, 2024 17:53 6m 21s main
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December 2, 2024 17:53 6m 21s
Plumed CNCV (#114) pytest #24: Commit 1f6dacf pushed by juraskov
November 29, 2024 17:02 6m 17s main
main
November 29, 2024 17:02 6m 17s
Add PBC and improve AL extra time setting pytest #23: Commit db7c4a7 pushed by juraskov
November 25, 2024 22:02 6m 44s main
main
November 25, 2024 22:02 6m 44s
Fix calculate check2 pytest #22: Pull request #1 synchronize by juraskov
November 24, 2024 17:07 7m 21s fix_calculate_check2
fix_calculate_check2
November 24, 2024 17:07 7m 21s
Fix calculate check2 pytest #21: Pull request #1 synchronize by juraskov
November 24, 2024 17:03 6m 22s fix_calculate_check2
fix_calculate_check2
November 24, 2024 17:03 6m 22s
Fix calculate check2 pytest #20: Pull request #1 synchronize by juraskov
November 24, 2024 17:00 6m 8s fix_calculate_check2
fix_calculate_check2
November 24, 2024 17:00 6m 8s
Fix calculate check2 pytest #19: Pull request #1 synchronize by juraskov
November 24, 2024 16:31 7m 13s fix_calculate_check2
fix_calculate_check2
November 24, 2024 16:31 7m 13s
Fix calculate check2 pytest #18: Pull request #1 synchronize by juraskov
November 24, 2024 16:29 6m 9s fix_calculate_check2
fix_calculate_check2
November 24, 2024 16:29 6m 9s
Fix calculate check2 pytest #17: Pull request #1 synchronize by juraskov
November 24, 2024 15:54 7m 28s fix_calculate_check2
fix_calculate_check2
November 24, 2024 15:54 7m 28s
Move all test to new folder (#108) pytest #16: Commit 4bd5c1f pushed by juraskov
November 3, 2024 18:05 6m 20s main
main
November 3, 2024 18:05 6m 20s
Fix calculate check2 pytest #15: Pull request #1 synchronize by juraskov
November 3, 2024 00:56 6m 8s fix_calculate_check2
fix_calculate_check2
November 3, 2024 00:56 6m 8s
Fix calculate check2 pytest #14: Pull request #1 opened by juraskov
November 2, 2024 23:33 6m 6s fix_calculate_check2
fix_calculate_check2
November 2, 2024 23:33 6m 6s
Bump mamba-org/setup-micromamba in the gha-dependencies group (#107) pytest #13: Commit 2e9755a pushed by juraskov
November 1, 2024 16:59 6m 25s main
main
November 1, 2024 16:59 6m 25s
Fix issue with MACE error table following training. (#104) pytest #12: Commit 9c0b07e pushed by juraskov
October 28, 2024 12:19 6m 45s main
main
October 28, 2024 12:19 6m 45s
Clean cache after MACE training (#98) pytest #11: Commit 7cfa2fb pushed by juraskov
May 22, 2024 15:24 7m 3s main
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May 22, 2024 15:24 7m 3s
Mace update (#93) pytest #10: Commit 2ba37a0 pushed by juraskov
April 4, 2024 09:53 5m 8s main
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April 4, 2024 09:53 5m 8s
Add code coverage analysis by Codecov (#92) pytest #9: Commit 99e251c pushed by juraskov
March 30, 2024 00:26 4m 38s main
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March 30, 2024 00:26 4m 38s
Config update (#91) pytest #8: Commit cd35f02 pushed by juraskov
March 27, 2024 09:55 1m 11s main
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March 27, 2024 09:55 1m 11s
Add ruff format commit to .git-blame-ignore-revs (#86) pytest #7: Commit 839b77c pushed by juraskov
March 25, 2024 21:35 4m 31s main
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March 25, 2024 21:35 4m 31s
Ruff formater vol2 (#85) pytest #6: Commit a5e89e4 pushed by juraskov
February 15, 2024 09:01 4m 34s main
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February 15, 2024 09:01 4m 34s
fix minor bugs for example code of DA in solvent (#77) pytest #5: Commit 02bfbb1 pushed by juraskov
December 7, 2023 15:03 4m 21s main
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December 7, 2023 15:03 4m 21s
Adding OpenMM as an optional MD engine (#55) pytest #4: Commit 3ba53a5 pushed by juraskov
November 6, 2023 14:28 5m 19s main
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November 6, 2023 14:28 5m 19s
Add pre commit (#66) pytest #3: Commit 41fbb2c pushed by juraskov
October 30, 2023 09:56 4m 51s main
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October 30, 2023 09:56 4m 51s
Switch from setup.py to pyproject.toml (#67) pytest #2: Commit be29fa9 pushed by juraskov
October 28, 2023 12:46 2m 4s main
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October 28, 2023 12:46 2m 4s