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test_openmm_dmff_plugin.yml
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Update classical.py OpenMM DMFF Plugin tests. #186: Pull request #166 synchronize by Ethan-Norch
February 23, 2024 01:29 2m 56s Ethan-Norch:devel
Ethan-Norch:devel
February 23, 2024 01:29 2m 56s
Merge pull request #167 from KuangYu/devel OpenMM DMFF Plugin tests. #185: Commit 285dd85 pushed by KuangYu
February 22, 2024 05:15 2m 52s devel
devel
February 22, 2024 05:15 2m 52s
Add sGNN support for small molecules (ABn, like PF6) OpenMM DMFF Plugin tests. #184: Pull request #167 opened by KuangYu
February 22, 2024 03:51 2m 59s KuangYu:devel
KuangYu:devel
February 22, 2024 03:51 2m 59s
Update classical.py OpenMM DMFF Plugin tests. #183: Pull request #166 opened by Ethan-Norch
February 22, 2024 02:48 3m 1s Ethan-Norch:devel
Ethan-Norch:devel
February 22, 2024 02:48 3m 1s
Support to do gradient calculation on a loss function from trajectory OpenMM DMFF Plugin tests. #182: Pull request #165 synchronize by ice-hanbin
February 19, 2024 03:38 2m 59s ice-hanbin:devel
ice-hanbin:devel
February 19, 2024 03:38 2m 59s
Merge pull request #163 from Ethan-Norch/devel OpenMM DMFF Plugin tests. #173: Commit 2126ba4 pushed by KuangYu
January 16, 2024 02:13 2m 58s devel
devel
January 16, 2024 02:13 2m 58s
Implemet CustomGBForce, CustomTorsionForce, Custom1_5BondForce generators in DMFF OpenMM DMFF Plugin tests. #172: Pull request #163 opened by Ethan-Norch
January 15, 2024 12:46 5m 22s Ethan-Norch:devel
Ethan-Norch:devel
January 15, 2024 12:46 5m 22s
Test commit OpenMM DMFF Plugin tests. #171: Pull request #162 opened by KuangYu
January 15, 2024 07:11 3m 2s KuangYu:devel
KuangYu:devel
January 15, 2024 07:11 3m 2s
Merge pull request #156 from VINFeng/patch-8 OpenMM DMFF Plugin tests. #170: Commit eab3d26 pushed by KuangYu
January 14, 2024 01:07 2m 56s devel
devel
January 14, 2024 01:07 2m 56s
Merge pull request #155 from ChiahsinChu/devel OpenMM DMFF Plugin tests. #164: Commit eac786d pushed by KuangYu
January 12, 2024 01:18 3m 0s devel
devel
January 12, 2024 01:18 3m 0s
Merge pull request #154 from dingye18/devel OpenMM DMFF Plugin tests. #163: Commit 37fb33a pushed by KuangYu
January 12, 2024 00:59 3m 5s devel
devel
January 12, 2024 00:59 3m 5s
Merge pull request #153 from caic99/master OpenMM DMFF Plugin tests. #162: Commit dcc9fa5 pushed by KuangYu
January 12, 2024 00:58 3m 13s master
master
January 12, 2024 00:58 3m 13s
Debug and implementation new features OpenMM DMFF Plugin tests. #161: Pull request #157 synchronize by Ethan-Norch
January 11, 2024 06:46 3m 7s master
master
January 11, 2024 06:46 3m 7s
Add aux support in ml.py for MLP. Fix jit error when saving ml potential with save_dmff2tf.py OpenMM DMFF Plugin tests. #158: Pull request #154 synchronize by dingye18
January 1, 2024 03:01 3m 11s dingye18:devel
dingye18:devel
January 1, 2024 03:01 3m 11s
Update README.md OpenMM DMFF Plugin tests. #156: Pull request #156 opened by VINFeng
December 27, 2023 06:58 2m 57s VINFeng:patch-8
VINFeng:patch-8
December 27, 2023 06:58 2m 57s
fix bug in example OpenMM DMFF Plugin tests. #155: Pull request #155 opened by ChiahsinChu
December 26, 2023 11:13 3m 4s ChiahsinChu:devel
ChiahsinChu:devel
December 26, 2023 11:13 3m 4s
Add aux support in ml.py for MLP. Fix jit error when saving ml potential with save_dmff2tf.py OpenMM DMFF Plugin tests. #154: Pull request #154 opened by dingye18
December 17, 2023 09:33 3m 4s dingye18:devel
dingye18:devel
December 17, 2023 09:33 3m 4s
Make HarmonicAngleForce overwrite class/type3. OpenMM DMFF Plugin tests. #153: Commit 0be33ff pushed by WangXinyan940
December 13, 2023 02:05 2m 59s devel
devel
December 13, 2023 02:05 2m 59s
Add docker image for building the OpenMM Plugin for DMFF OpenMM DMFF Plugin tests. #152: Pull request #153 opened by caic99
December 12, 2023 08:08 2m 40s caic99:master
caic99:master
December 12, 2023 08:08 2m 40s
Keep the order of atoms when they are equivalent and have the same na… OpenMM DMFF Plugin tests. #151: Commit 4244b59 pushed by WangXinyan940
December 7, 2023 15:19 3m 11s devel
devel
December 7, 2023 15:19 3m 11s
Add eps when calc box_inv OpenMM DMFF Plugin tests. #150: Commit 80eee20 pushed by WangXinyan940
December 7, 2023 13:58 3m 4s devel
devel
December 7, 2023 13:58 3m 4s
Save U_ind to pme_force OpenMM DMFF Plugin tests. #149: Commit 7a7a7e8 pushed by WangXinyan940
November 22, 2023 10:04 8m 41s devel
devel
November 22, 2023 10:04 8m 41s
Update classical.py OpenMM DMFF Plugin tests. #148: Commit d11ef9d pushed by WangXinyan940
November 22, 2023 08:39 8m 42s devel
devel
November 22, 2023 08:39 8m 42s
Merge branch 'devel' OpenMM DMFF Plugin tests. #147: Commit 2978f17 pushed by WangXinyan940
November 9, 2023 14:32 8m 45s v1.0.0
v1.0.0
November 9, 2023 14:32 8m 45s
Merge branch 'devel' OpenMM DMFF Plugin tests. #146: Commit 2978f17 pushed by WangXinyan940
November 9, 2023 06:31 8m 34s master
master
November 9, 2023 06:31 8m 34s