add dpdata driver #3174
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add dpdata driver #3174
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Add a dpdata driver via the plugin mechaism (override that in the dpdata package), so it can be benifited from the multiple-backend DeepPot. Currently, the driver in the dpdata package has to support both v1 and v2 for backward compatibility. When shipped within the deepmd-kit package, we only need to support the current deepmd-kit version. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3174 +/- ##
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+ Coverage 76.06% 76.09% +0.02%
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Files 280 281 +1
Lines 25644 25672 +28
Branches 1591 1591
==========================================
+ Hits 19507 19535 +28
Misses 5213 5213
Partials 924 924 ☔ View full report in Codecov by Sentry. |
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wanghan-iapcm
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could you please provide a test case for cell==None?
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Good idea. I see it is not covered. |
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
wanghan-iapcm
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Jan 24, 2024
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Add a dpdata driver via the plugin mechanism (override that in the dpdata package) so it can benefit from the multiple-backend DeepPot. Currently, the driver in the dpdata package has to support both v1 and v2 for backward compatibility. When shipped within the deepmd-kit package, it only needs to support the current deepmd-kit version.