allow custom data types for deepmd format#476
Merged
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom May 24, 2023
Merged
allow custom data types for deepmd format#476wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #476 +/- ##
==========================================
- Coverage 82.70% 82.69% -0.01%
==========================================
Files 70 70
Lines 6324 6393 +69
==========================================
+ Hits 5230 5287 +57
- Misses 1094 1106 +12
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@robinzyb this PR should be also helpful to you if you want to implement any new data types. |
wanghan-iapcm
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May 24, 2023
wanghan-iapcm
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Jun 8, 2023
Follow up #476. `deepmd/npy` and `deepmd/raw` are ok, and only `deepmd/hdf5` has this bug.
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In this commit, the deepmd format reads data types from
dpdata.system.LabeledSystem.DTYPESand load or dump the corresponding data. One can modifydpdata.system.LabeledSystem.DTYPESbefore using it or in a plugin (see tests), so deepmd format can be extended in this way.