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njzjz / deepmd-gnn

DeePMD-kit plugin for various graph neural network models
GNU Lesser General Public License v3.0
21 stars 3 forks source link

feat: nequip model in batch #28

Closed njzjz closed 1 month ago

pep8speaks commented 1 month ago

Hello @njzjz! Thanks for opening this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 555:80: E501 line too long (84 > 79 characters) Line 563:80: E501 line too long (84 > 79 characters) Line 585:80: E501 line too long (86 > 79 characters)

codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 90.69767% with 4 lines in your changes missing coverage. Please review.

Project coverage is 90.24%. Comparing base (f4c6b22) to head (87f687d). Report is 1 commits behind head on master.

Files with missing lines Patch % Lines
deepmd_gnn/nequip.py 90.69% 4 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #28 +/- ## ========================================== - Coverage 90.46% 90.24% -0.22% ========================================== Files 5 5 Lines 493 482 -11 ========================================== - Hits 446 435 -11 Misses 47 47 ```

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