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test_openmm_dmff_plugin.yml
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Update pme.py OpenMM DMFF Plugin tests. #40: Commit f20b893 pushed by WangXinyan940
October 26, 2023 07:52 9m 59s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 26, 2023 07:52 9m 59s
Upload OpenMM DMFF Plugin tests. #39: Commit 7e94269 pushed by WangXinyan940
October 26, 2023 07:45 11m 48s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 26, 2023 07:45 11m 48s
Add frontend for EANN OpenMM DMFF Plugin tests. #38: Pull request #127 opened by junminchen
October 25, 2023 14:52 13m 41s junminchen:wangxy/v1.0.0-devel
junminchen:wangxy/v1.0.0-devel
October 25, 2023 14:52 13m 41s
make the behavior of ADMP correct while using NoCutoff OpenMM DMFF Plugin tests. #37: Commit 23a1238 pushed by WangXinyan940
October 24, 2023 09:20 11m 54s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 24, 2023 09:20 11m 54s
Update admp.py OpenMM DMFF Plugin tests. #36: Commit cf07e05 pushed by WangXinyan940
October 24, 2023 07:47 11m 40s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 24, 2023 07:47 11m 40s
Explicit support nopbc calculation OpenMM DMFF Plugin tests. #35: Commit 6de2f47 pushed by WangXinyan940
October 24, 2023 07:44 10m 17s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 24, 2023 07:44 10m 17s
Update ut.yml OpenMM DMFF Plugin tests. #34: Commit 919bef2 pushed by WangXinyan940
October 24, 2023 05:14 12m 32s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 24, 2023 05:14 12m 32s
Change jaxopt root finder to be jit-able OpenMM DMFF Plugin tests. #33: Commit 9b03c2b pushed by WangXinyan940
October 24, 2023 03:26 11m 38s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 24, 2023 03:26 11m 38s
Add new unit test for QEQ with two residues. OpenMM DMFF Plugin tests. #32: Commit a03c841 pushed by WangXinyan940
October 23, 2023 15:06 10m 23s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 23, 2023 15:06 10m 23s
Clean the way of aux_data implementation OpenMM DMFF Plugin tests. #31: Commit db28782 pushed by WangXinyan940
October 23, 2023 14:38 12m 8s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 23, 2023 14:38 12m 8s
Fix ADMP examples OpenMM DMFF Plugin tests. #30: Pull request #126 synchronize by KuangYu
October 23, 2023 08:56 10m 35s KuangYu:wangxy/v1.0.0-devel
KuangYu:wangxy/v1.0.0-devel
October 23, 2023 08:56 10m 35s
Update qeq.py OpenMM DMFF Plugin tests. #29: Commit 6134176 pushed by WangXinyan940
October 22, 2023 16:57 9m 37s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 22, 2023 16:57 9m 37s
Add jaxopt requirement in github workflow OpenMM DMFF Plugin tests. #28: Commit 4aa5b77 pushed by WangXinyan940
October 22, 2023 12:57 10m 24s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 22, 2023 12:57 10m 24s
Add QEQ test OpenMM DMFF Plugin tests. #27: Commit 81741de pushed by WangXinyan940
October 22, 2023 12:31 12m 28s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 22, 2023 12:31 12m 28s
Fix ADMP examples OpenMM DMFF Plugin tests. #26: Pull request #126 opened by KuangYu
October 22, 2023 10:26 10m 9s KuangYu:wangxy/v1.0.0-devel
KuangYu:wangxy/v1.0.0-devel
October 22, 2023 10:26 10m 9s
Modified QEQ potential and add JIT support OpenMM DMFF Plugin tests. #25: Commit 5acacff pushed by WangXinyan940
October 22, 2023 08:41 11m 55s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 22, 2023 08:41 11m 55s
Add frontend for sGNN (#125) OpenMM DMFF Plugin tests. #24: Commit 800480a pushed by WangXinyan940
October 22, 2023 08:40 9m 46s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 22, 2023 08:40 9m 46s
Add frontend for sGNN OpenMM DMFF Plugin tests. #23: Pull request #125 opened by KuangYu
October 21, 2023 09:49 9m 48s KuangYu:wangxy/v1.0.0-devel
KuangYu:wangxy/v1.0.0-devel
October 21, 2023 09:49 9m 48s
qeq merge (#124) OpenMM DMFF Plugin tests. #22: Commit 66d2eb9 pushed by WangXinyan940
October 20, 2023 06:46 10m 33s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 20, 2023 06:46 10m 33s
qeq merge OpenMM DMFF Plugin tests. #21: Pull request #124 opened by gust-07
October 20, 2023 04:12 9m 43s gust-07:master
gust-07:master
October 20, 2023 04:12 9m 43s
Fix no axis type bug (#120) OpenMM DMFF Plugin tests. #19: Commit e0877ee pushed by WangXinyan940
October 20, 2023 01:36 12m 19s devel
devel
October 20, 2023 01:36 12m 19s
Fix No-AxisType bug (#122) OpenMM DMFF Plugin tests. #18: Commit 5c153bc pushed by WangXinyan940
October 20, 2023 01:36 9m 58s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 20, 2023 01:36 9m 58s
Fix No-AxisType bug OpenMM DMFF Plugin tests. #17: Pull request #122 opened by WangXinyan940
October 19, 2023 16:20 9m 41s plumbum082:fix-NoAxisType-bug
plumbum082:fix-NoAxisType-bug
October 19, 2023 16:20 9m 41s
Update ut.yml OpenMM DMFF Plugin tests. #16: Commit cd199e4 pushed by WangXinyan940
October 17, 2023 15:41 12m 59s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 17, 2023 15:41 12m 59s
Update ut.yml OpenMM DMFF Plugin tests. #15: Commit be7f94e pushed by WangXinyan940
October 17, 2023 15:15 10m 13s wangxy/v1.0.0-devel
wangxy/v1.0.0-devel
October 17, 2023 15:15 10m 13s