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Add PBC and improve AL extra time setting
Lint #71: Commit db7c4a7 pushed by juraskov
November 25, 2024 22:02 31s main
November 25, 2024 22:02 31s
Add PBC and improve AL extra time setting
pytest #23: Commit db7c4a7 pushed by juraskov
November 25, 2024 22:02 6m 44s main
November 25, 2024 22:02 6m 44s
Add test for system.py
Lint #70: Commit 24a9044 pushed by juraskov
November 25, 2024 22:01 27s test_system
November 25, 2024 22:01 27s
Update format active.py
Lint #69: Commit 4aa693b pushed by juraskov
November 25, 2024 10:11 25s hanwen/PBC_AL
November 25, 2024 10:11 25s
Fix calculate check2
pytest #22: Pull request #1 synchronize by juraskov
November 24, 2024 17:07 7m 21s fix_calculate_check2
November 24, 2024 17:07 7m 21s
Fix calculate check2
Lint #68: Pull request #1 synchronize by juraskov
November 24, 2024 17:07 17s fix_calculate_check2
November 24, 2024 17:07 17s
Decrease mace-torch version
Lint #67: Commit 72923b2 pushed by juraskov
November 24, 2024 17:07 15s fix_calculate_check2
November 24, 2024 17:07 15s
Fix calculate check2
Lint #66: Pull request #1 synchronize by juraskov
November 24, 2024 17:03 13s fix_calculate_check2
November 24, 2024 17:03 13s
Fix calculate check2
pytest #21: Pull request #1 synchronize by juraskov
November 24, 2024 17:03 6m 22s fix_calculate_check2
November 24, 2024 17:03 6m 22s
Pin correctly openmm version
Lint #65: Commit f111b96 pushed by juraskov
November 24, 2024 17:03 15s fix_calculate_check2
November 24, 2024 17:03 15s
Fix calculate check2
pytest #20: Pull request #1 synchronize by juraskov
November 24, 2024 17:00 6m 8s fix_calculate_check2
November 24, 2024 17:00 6m 8s
Fix calculate check2
Lint #64: Pull request #1 synchronize by juraskov
November 24, 2024 17:00 21s fix_calculate_check2
November 24, 2024 17:00 21s
Pin openmm version
Lint #63: Commit 873c481 pushed by juraskov
November 24, 2024 17:00 25s fix_calculate_check2
November 24, 2024 17:00 25s
Fix calculate check2
pytest #19: Pull request #1 synchronize by juraskov
November 24, 2024 16:31 7m 13s fix_calculate_check2
November 24, 2024 16:31 7m 13s
Fix calculate check2
Lint #62: Pull request #1 synchronize by juraskov
November 24, 2024 16:31 15s fix_calculate_check2
November 24, 2024 16:31 15s
Pin correctly mace-torch version
Lint #61: Commit c690b77 pushed by juraskov
November 24, 2024 16:31 16s fix_calculate_check2
November 24, 2024 16:31 16s
Fix calculate check2
pytest #18: Pull request #1 synchronize by juraskov
November 24, 2024 16:29 6m 9s fix_calculate_check2
November 24, 2024 16:29 6m 9s
Fix calculate check2
Lint #60: Pull request #1 synchronize by juraskov
November 24, 2024 16:29 16s fix_calculate_check2
November 24, 2024 16:29 16s
Fix calculate check2
pytest #17: Pull request #1 synchronize by juraskov
November 24, 2024 15:54 7m 28s fix_calculate_check2
November 24, 2024 15:54 7m 28s
Fix calculate check2
Lint #58: Pull request #1 synchronize by juraskov
November 24, 2024 15:54 25s fix_calculate_check2
November 24, 2024 15:54 25s
Merge branch 'main' into fix_calculate_check2
Lint #57: Commit 8f578b3 pushed by juraskov
November 24, 2024 15:54 29s fix_calculate_check2
November 24, 2024 15:54 29s
Move all test to new folder (#108)
Lint #56: Commit 4bd5c1f pushed by juraskov
November 3, 2024 18:05 28s main
November 3, 2024 18:05 28s
Move all test to new folder (#108)
pytest #16: Commit 4bd5c1f pushed by juraskov
November 3, 2024 18:05 6m 20s main
November 3, 2024 18:05 6m 20s
Fix calculate check2
Lint #55: Pull request #1 synchronize by juraskov
November 3, 2024 00:56 19s fix_calculate_check2
November 3, 2024 00:56 19s