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openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
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ColabFit Changes #174

Closed EFuem closed 4 months ago

EFuem commented 4 months ago

Modified the way in which data is fetched from ColabFit. Additional logic needed to be built in, so this was done on the ColabFit side which resulted in a simplification on the KLIFF side.

codecov[bot] commented 4 months ago

Codecov Report

Attention: Patch coverage is 0% with 7 lines in your changes are missing coverage. Please review.

Project coverage is 63.14%. Comparing base (33c9212) to head (4138e57). Report is 1 commits behind head on v1.

Files Patch % Lines
kliff/dataset/dataset.py 0.00% 7 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## v1 #174 +/- ## ========================================== - Coverage 63.20% 63.14% -0.07% ========================================== Files 50 50 Lines 4713 4718 +5 ========================================== Hits 2979 2979 - Misses 1734 1739 +5 ```

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mjwen commented 4 months ago

@EFuem Thanks !

There is some linting error as can be seen from the CI report below. Can you please do a quick pre-commit run to fix that? See https://kliff.readthedocs.io/en/latest/contributing_guide.html#code-style

Also, we need to think about how to test the from_colabfit method a bit to make sure everything works (maybe not this PR). It uses MongoDB and such, which make testing more involved and I don't have idea on how to effectively test that. You've got any idea?

mjwen commented 4 months ago

Thanks !