feat: support the deepmd-kit v3 #207
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Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
…fpop Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
… for all atom types in the type map Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
1. Bohrium job rescheduled 2. running either locally or with HPC context by dispatcher in debug mode Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
for more information, see https://pre-commit.ci
Signed-off-by: zjgemi <[email protected]>
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #207 +/- ##
==========================================
- Coverage 85.61% 84.52% -1.09%
==========================================
Files 92 92
Lines 4852 4957 +105
==========================================
+ Hits 4154 4190 +36
- Misses 698 767 +69 ☔ View full report in Codecov by Sentry. |
Signed-off-by: zjgemi <[email protected]>
Signed-off-by: zjgemi <[email protected]>
Examples have been added in https://github.com/zjgemi/dpgen2/tree/deepmd-v3/examples/water. |
wanghan-iapcm
approved these changes
Mar 30, 2024
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