feat: add NumPy DeepPot#3332
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wanghan-iapcm merged 1 commit intodeepmodeling:develfrom Feb 24, 2024
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## devel #3332 +/- ##
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- Coverage 75.41% 75.39% -0.03%
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Files 406 408 +2
Lines 34106 34247 +141
Branches 1604 1604
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+ Hits 25720 25819 +99
- Misses 7525 7567 +42
Partials 861 861 ☔ View full report in Codecov by Sentry. |
wanghan-iapcm
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While a DPModel cannot be directly trained, it can be converted from another model:
dp convert-backend frozen_model.pth frozen_model.dp dp test -m frozen_model.dp -s ../data/The energy result is consistent with TF and PT. Force and virial are NaN, as expected.