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Move pert_file CLI option into Config class Build and test #104: Pull request #27 synchronize by lohedges
March 13, 2024 12:16 15s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 12:16 15s
Fix error message. Build and test #103: Commit 09c9e7c pushed by lohedges
March 13, 2024 12:16 12m 36s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 12:16 12m 36s
Move pert_file CLI option into Config class Build and test #102: Pull request #27 opened by lohedges
March 13, 2024 11:54 12s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 11:54 12s
Move pert_file option into Config and apply in Runner setup. Build and test #101: Commit c913c7d pushed by lohedges
March 13, 2024 11:50 24m 12s feature_somd1_compatibility3
feature_somd1_compatibility3
March 13, 2024 11:50 24m 12s
Merge pull request #26 from OpenBioSim/feature_somd1_compatibility2 Build and test #100: Commit e2e7a97 pushed by lohedges
March 11, 2024 12:22 23s main
main
March 11, 2024 12:22 23s
Further SOMD1 compatibility updates Build and test #99: Pull request #26 synchronize by lohedges
March 11, 2024 09:33 15s feature_somd1_compatibility2
feature_somd1_compatibility2
March 11, 2024 09:33 15s
Expose barostat_frequency kwarg. Build and test #98: Commit d3bc06f pushed by lohedges
March 11, 2024 09:33 13m 45s feature_somd1_compatibility2
feature_somd1_compatibility2
March 11, 2024 09:33 13m 45s
Further SOMD1 compatibility updates Build and test #97: Pull request #26 opened by lohedges
March 8, 2024 14:52 18s feature_somd1_compatibility2
feature_somd1_compatibility2
March 8, 2024 14:52 18s
Flag perturbable atom as light by max mass and check constraints. Build and test #96: Commit 7ed8d94 pushed by lohedges
March 8, 2024 14:47 15m 14s feature_somd1_compatibility2
feature_somd1_compatibility2
March 8, 2024 14:47 15m 14s
Merge pull request #25 from OpenBioSim/fix_24 Build and test #94: Commit 6e0da22 pushed by mb2055
March 7, 2024 10:51 12s main
main
March 7, 2024 10:51 12s
Fix 24 Build and test #93: Pull request #25 opened by mb2055
March 7, 2024 10:35 14s fix_24
fix_24
March 7, 2024 10:35 14s
Revert change to warning string Build and test #92: Commit 32c085c pushed by mb2055
March 7, 2024 10:33 16m 58s fix_24
fix_24
March 7, 2024 10:33 16m 58s
Fix for issue when restarting in the absence of a checkpoint file Build and test #91: Commit cd88560 pushed by mb2055
March 7, 2024 10:31 17m 47s fix_24
fix_24
March 7, 2024 10:31 17m 47s
Merge pull request #23 from OpenBioSim/fix_somd1_compatibility Build and test #90: Commit ace21b4 pushed by lohedges
February 16, 2024 13:55 18m 18s main
main
February 16, 2024 13:55 18m 18s
Merge pull request #21 from OpenBioSim/fix_20 Build and test #89: Commit 266e951 pushed by mb2055
February 16, 2024 13:23 13s main
main
February 16, 2024 13:23 13s
Bonded potentials don't preserve order so need to exhaustively search. Build and test #88: Commit e4af134 pushed by lohedges
February 16, 2024 12:53 17m 28s fix_somd1_compatibility
fix_somd1_compatibility
February 16, 2024 12:53 17m 28s
Bonded potentials don't preserve order so need to exhaustively search. Build and test #87: Commit 7a29370 pushed by lohedges
February 16, 2024 12:19 10m 38s fix_somd1_compatibility
fix_somd1_compatibility
February 16, 2024 12:19 10m 38s
Merge pull request #19 from OpenBioSim/feature_somd1_compatibility Build and test #86: Commit 83cfd45 pushed by lohedges
February 16, 2024 12:17 14s fix_somd1_compatibility
fix_somd1_compatibility
February 16, 2024 12:17 14s
Fix 20 Build and test #85: Pull request #21 opened by mb2055
February 12, 2024 16:57 13s fix_20
fix_20
February 12, 2024 16:57 13s
Adds test to ensure config and lambda are written to checkpoint prope… Build and test #84: Commit 2b7c280 pushed by mb2055
February 12, 2024 16:50 13m 49s fix_20
fix_20
February 12, 2024 16:50 13m 49s
Merge pull request #19 from OpenBioSim/feature_somd1_compatibility Build and test #83: Commit 83cfd45 pushed by mb2055
February 12, 2024 15:11 15s main
main
February 12, 2024 15:11 15s
Add SOMD1 compatibility mode Build and test #82: Pull request #19 opened by lohedges
February 12, 2024 09:44 12m 36s feature_somd1_compatibility
feature_somd1_compatibility
February 12, 2024 09:44 12m 36s
Merge pull request #17 from OpenBioSim/feature_cutoff Build and test #75: Commit ddc6240 pushed by lohedges
December 14, 2023 16:53 12s main
main
December 14, 2023 16:53 12s
Expose cutoff kwarg Build and test #74: Pull request #17 opened by lohedges
December 14, 2023 16:38 19s feature_cutoff
feature_cutoff
December 14, 2023 16:38 19s
Fix cutoff setter. Build and test #73: Commit 288c648 pushed by lohedges
December 14, 2023 16:33 12m 52s feature_cutoff
feature_cutoff
December 14, 2023 16:33 12m 52s