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Support to modify cmaps based on phi psi mask CNCACN Tests #361: Pull request #1400 opened by kbelfon007
March 19, 2025 05:06 7m 38s kbelfon007:edit_cmap_options
kbelfon007:edit_cmap_options
March 19, 2025 05:06 7m 38s
Fix an issue where openmm system can't be created for Drude molecules or virtual sites Tests #360: Pull request #1393 opened by swails
February 26, 2025 21:31 7m 33s swails-patch-1
swails-patch-1
February 26, 2025 21:31 7m 33s
Resolve issue/1386, fix numpy.compat deprecation warning Tests #359: Pull request #1387 synchronize by swails
February 25, 2025 16:04 7m 37s MattBurn:issue/1386
MattBurn:issue/1386
February 25, 2025 16:04 7m 37s
Update dev environment and add testing for python 3.13 (#1391) Tests #358: Commit f1b07c9 pushed by swails
February 25, 2025 16:03 7m 36s master
master
February 25, 2025 16:03 7m 36s
Update dev environment and add testing for python 3.13 Tests #357: Pull request #1391 synchronize by chrisjonesBSU
February 14, 2025 21:11 7m 37s chrisjonesBSU:py313
chrisjonesBSU:py313
February 14, 2025 21:11 7m 37s
Update dev environment and add testing for python 3.13 Tests #356: Pull request #1391 synchronize by chrisjonesBSU
February 14, 2025 20:44 7m 38s chrisjonesBSU:py313
chrisjonesBSU:py313
February 14, 2025 20:44 7m 38s
Update dev environment and add testing for python 3.13 Tests #355: Pull request #1391 opened by chrisjonesBSU
February 14, 2025 20:40 2m 5s chrisjonesBSU:py313
chrisjonesBSU:py313
February 14, 2025 20:40 2m 5s
Resolve issue/1386, fix numpy.compat deprecation warning Tests #354: Pull request #1387 opened by MattBurn
February 3, 2025 10:00 7m 20s MattBurn:issue/1386
MattBurn:issue/1386
February 3, 2025 10:00 7m 20s
Copy impropers when compressing Tests #353: Pull request #1385 opened by epretti
January 28, 2025 23:59 7m 20s epretti:openmm-compress-impropers-copy
epretti:openmm-compress-impropers-copy
January 28, 2025 23:59 7m 20s
Fixed deepcopy for Atom. Tests #352: Pull request #1377 synchronize by swails
October 2, 2024 18:28 7m 7s ywu:master
ywu:master
October 2, 2024 18:28 7m 7s
Switch to non-deprecated miniforge (#1378) Tests #351: Commit f82923a pushed by swails
October 2, 2024 18:28 7m 13s master
master
October 2, 2024 18:28 7m 13s
Switch to non-deprecated miniforge Tests #350: Pull request #1378 opened by swails
October 2, 2024 16:29 7m 10s swails:switch-to-miniforge
swails:switch-to-miniforge
October 2, 2024 16:29 7m 10s
Fixed deepcopy for Atom. Tests #349: Pull request #1377 synchronize by ywu
September 28, 2024 23:30 6h 0m 13s ywu:master
ywu:master
September 28, 2024 23:30 6h 0m 13s
Fixed deepcopy for Atom. Tests #348: Pull request #1377 opened by ywu
September 28, 2024 04:45 6h 0m 14s ywu:master
ywu:master
September 28, 2024 04:45 6h 0m 14s
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
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