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Update the doc for openmm dmff plugin usage. #146

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merged 35 commits into from
Nov 9, 2023
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f533581
Add issue templates for feature request and bug-report
dingye18 Feb 13, 2023
3f4d29b
Merge branch 'devel' of https://github.com/dingye18/DMFF into devel
dingye18 Jul 3, 2023
f1a7919
Merge branch 'devel' of https://github.com/deepmodeling/DMFF into devel
dingye18 Jul 3, 2023
3cdf6a1
Merge branch 'devel' of https://github.com/deepmodeling/DMFF into devel
dingye18 Jul 30, 2023
bec7eb4
Merge branch 'devel' of https://github.com/deepmodeling/DMFF into devel
dingye18 Aug 9, 2023
d11057a
Merge branch 'devel' of https://github.com/dingye18/DMFF into devel
dingye18 Aug 18, 2023
5fbd560
Add script for dmff model saving.
dingye18 Aug 18, 2023
63ffd61
Remove issue template from devel branch.
dingye18 Aug 18, 2023
38b2b2f
debug workflow
dingye18 Aug 18, 2023
cbb35b8
remove debug
dingye18 Aug 18, 2023
14a45cd
Update ut.yml. Install mdtraj by conda.
dingye18 Aug 20, 2023
e816bd1
Merge branch 'deepmodeling:devel' into devel
dingye18 Oct 8, 2023
8e9bede
Add openmm dmff plugin to backend
dingye18 Oct 9, 2023
7eedaad
Update .gitignore
dingye18 Oct 9, 2023
0d2aaad
Add test workflow for openmm dmff plugin
dingye18 Oct 10, 2023
1a93eed
Update workflow for openmm dmff plugin test.
dingye18 Oct 10, 2023
c3b060b
Update workflow for openmm dmff plugin test.
dingye18 Oct 10, 2023
925a09a
Update workflow for openmm dmff plugin test.
dingye18 Oct 10, 2023
fc5aa00
Update workflow for openmm dmff plugin test.
dingye18 Oct 10, 2023
c60de88
Update workflow for openmm dmff plugin test.
dingye18 Oct 10, 2023
22bf802
Specific setuptools version in workflow yaml
dingye18 Oct 10, 2023
2ba5d30
Update tensorflow version
dingye18 Oct 10, 2023
3f04d60
Enable double precision in test omm dmff plugin workflow
dingye18 Oct 10, 2023
86d47e2
update nve assert checking in omm dmff plugin workflow
dingye18 Oct 10, 2023
e0877ee
Fix no axis type bug (#120)
plumbum082 Oct 20, 2023
ac94a96
Merge branch 'deepmodeling:devel' into devel
dingye18 Nov 5, 2023
fa695a6
Merge branch 'wangxy/v1.0.0-devel' of https://github.com/deepmodeling…
dingye18 Nov 5, 2023
447a73a
Update omm plugin and save_dmff2tf.py for aux compatible.
dingye18 Nov 5, 2023
33d622b
Fix test issue.
dingye18 Nov 6, 2023
26b44f6
Update test_openmm_dmff_plugin.yml
dingye18 Nov 6, 2023
f8fe2fe
Update the doc for openmm dmff plugin usage
dingye18 Nov 8, 2023
236cb1c
Merge branch 'wangxy/v1.0.0-devel' of https://github.com/deepmodeling…
dingye18 Nov 8, 2023
6416580
Revision on the doc of DMFF plugin
dingye18 Nov 8, 2023
1f7522d
Upload tf c directory.
dingye18 Nov 8, 2023
d740579
Remove tf2.9.1_c.tar
dingye18 Nov 8, 2023
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Merge branch 'wangxy/v1.0.0-devel' of https://github.com/deepmodeling…
…/DMFF into omm_plugin
dingye18 committed Nov 8, 2023
commit 236cb1c48e6c5767fee6e305ada1b1711b31e8ab

This merge commit was added into this branch cleanly.

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