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Add additional file-based interface for LAMMPS #409

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merged 15 commits into from
Feb 24, 2025

[pre-commit.ci] auto fixes from pre-commit.com hooks

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Merged

Add additional file-based interface for LAMMPS #409

[pre-commit.ci] auto fixes from pre-commit.com hooks
57d15fc
Select commit
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Codecov / codecov/project succeeded Feb 24, 2025 in 0s

81.52% (+0.45%) compared to 091eb1b

View this Pull Request on Codecov

81.52% (+0.45%) compared to 091eb1b

Details

Codecov Report

Attention: Patch coverage is 96.66667% with 3 lines in your changes missing coverage. Please review.

Project coverage is 81.52%. Comparing base (091eb1b) to head (57d15fc).
Report is 4 commits behind head on main.

Files with missing lines Patch % Lines
atomistics/calculators/lammps/filecalculator.py 95.89% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #409      +/-   ##
==========================================
+ Coverage   81.07%   81.52%   +0.45%     
==========================================
  Files          39       40       +1     
  Lines        2309     2382      +73     
==========================================
+ Hits         1872     1942      +70     
- Misses        437      440       +3     

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