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Fix velocity unit scale for existing vels passed to OpenMM (#1367) Tests #347: Commit 1650aab pushed by swails
September 22, 2024 23:21 6m 35s master
master
September 22, 2024 23:21 6m 35s
Fix velocity unit scale for existing vels passed to OpenMM Tests #346: Pull request #1367 synchronize by swails
September 21, 2024 14:08 6m 35s nffaruk:rst_vel_fix
nffaruk:rst_vel_fix
September 21, 2024 14:08 6m 35s
Improve mdin parsing to not split restraintmask fields using '=' wild… Tests #345: Commit 6190e8d pushed by swails
September 21, 2024 14:08 6m 57s master
master
September 21, 2024 14:08 6m 57s
Improve mdin parsing to not split restraintmask fields using '=' wildcard char Tests #344: Pull request #1369 synchronize by swails
September 20, 2024 14:18 6m 53s nffaruk:mdin_parse_fix
nffaruk:mdin_parse_fix
September 20, 2024 14:18 6m 53s
Ensure PBC box vectors are in reduced form for OpenMM (#1368) Tests #343: Commit cc4f3ac pushed by swails
September 18, 2024 20:25 7m 41s master
master
September 18, 2024 20:25 7m 41s
Ensure PBC box vectors are in reduced form for OpenMM Tests #342: Pull request #1368 synchronize by swails
September 18, 2024 19:59 6m 48s nffaruk:pbc_vec_fix
nffaruk:pbc_vec_fix
September 18, 2024 19:59 6m 48s
Improve mdin parsing to not split restraintmask fields using '=' wildcard char Tests #341: Pull request #1369 synchronize by swails
September 18, 2024 19:58 6m 43s nffaruk:mdin_parse_fix
nffaruk:mdin_parse_fix
September 18, 2024 19:58 6m 43s
Fix serialization of structure with bond type attributes and add test… Tests #340: Commit 09cbe19 pushed by swails
September 18, 2024 19:54 6m 39s master
master
September 18, 2024 19:54 6m 39s
Fix serialization of structure with bond type attributes and add test Tests #339: Pull request #1376 synchronize by swails
September 18, 2024 19:48 6m 36s swails:fix/bond-type-getstate
swails:fix/bond-type-getstate
September 18, 2024 19:48 6m 36s
Fix serialization of structure with bond type attributes and add test Tests #338: Pull request #1376 synchronize by swails
September 18, 2024 19:39 6m 49s swails:fix/bond-type-getstate
swails:fix/bond-type-getstate
September 18, 2024 19:39 6m 49s
Fixed compatibility with NumPy 2.0+ (#1374) Tests #337: Commit 3a0b8af pushed by swails
September 18, 2024 19:32 6m 44s master
master
September 18, 2024 19:32 6m 44s
Fix serialization of structure with bond type attributes and add test Tests #336: Pull request #1376 synchronize by swails
September 18, 2024 19:22 6m 42s swails:fix/bond-type-getstate
swails:fix/bond-type-getstate
September 18, 2024 19:22 6m 42s
Fixed compatibility with NumPy 2.0+ Tests #335: Pull request #1374 synchronize by swails
September 18, 2024 19:22 6m 43s vedranmiletic:master
vedranmiletic:master
September 18, 2024 19:22 6m 43s
Fix the build wrt RDKit package issues (#1370) Tests #334: Commit 1f82b70 pushed by swails
September 18, 2024 19:22 6m 49s master
master
September 18, 2024 19:22 6m 49s
Fix the build wrt RDKit package issues Tests #333: Pull request #1370 synchronize by swails
September 18, 2024 18:47 7m 5s swails:fix-build
swails:fix-build
September 18, 2024 18:47 7m 5s
Fix the build wrt RDKit package issues Tests #332: Pull request #1370 synchronize by swails
September 18, 2024 17:51 6m 36s swails:fix-build
swails:fix-build
September 18, 2024 17:51 6m 36s
Fix serialization of structure with bond type attributes and add test Tests #331: Pull request #1376 opened by swails
September 18, 2024 17:40 6m 47s swails:fix/bond-type-getstate
swails:fix/bond-type-getstate
September 18, 2024 17:40 6m 47s
Fixed compatibility with NumPy 2.0+ Tests #330: Pull request #1374 synchronize by vedranmiletic
September 13, 2024 09:04 6m 43s vedranmiletic:master
vedranmiletic:master
September 13, 2024 09:04 6m 43s
Fixed compatibility with NumPy 2.0+ Tests #329: Pull request #1374 opened by vedranmiletic
September 13, 2024 07:42 6m 40s vedranmiletic:master
vedranmiletic:master
September 13, 2024 07:42 6m 40s
Fix the build wrt RDKit package issues Tests #328: Pull request #1370 opened by swails
August 28, 2024 20:46 6m 52s swails:fix-build
swails:fix-build
August 28, 2024 20:46 6m 52s
Fix a bug reported via email Tests #327: Pull request #1356 synchronize by swails
August 27, 2024 17:54 6m 44s swails:fix/float-periodicity-gromacs
swails:fix/float-periodicity-gromacs
August 27, 2024 17:54 6m 44s
Improve mdin parsing to not split restraintmask fields using '=' wildcard char Tests #326: Pull request #1369 opened by nffaruk
August 27, 2024 05:08 6m 46s nffaruk:mdin_parse_fix
nffaruk:mdin_parse_fix
August 27, 2024 05:08 6m 46s
Ensure PBC box vectors are in reduced form for OpenMM Tests #325: Pull request #1368 opened by nffaruk
August 27, 2024 03:18 6m 35s nffaruk:pbc_vec_fix
nffaruk:pbc_vec_fix
August 27, 2024 03:18 6m 35s
Fix velocity unit scale for existing vels passed to OpenMM Tests #324: Pull request #1367 opened by nffaruk
August 27, 2024 01:42 6m 40s nffaruk:rst_vel_fix
nffaruk:rst_vel_fix
August 27, 2024 01:42 6m 40s
Bugfixed AtomType equality operator (#1360) Tests #323: Commit cd0f878 pushed by swails
June 26, 2024 23:23 6m 47s master
master
June 26, 2024 23:23 6m 47s