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fix: normalize roughness - #453

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anyangml merged 2 commits into
deepmodeling:mainfrom
anyangml2nd:fix/update-diatomic-metrics
Aug 27, 2026
Merged

fix: normalize roughness#453
anyangml merged 2 commits into
deepmodeling:mainfrom
anyangml2nd:fix/update-diatomic-metrics

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anyangml merged commit 796be07 into deepmodeling:main Aug 27, 2026
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codecov Bot commented Aug 27, 2026

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Codecov Report

❌ Patch coverage is 87.50000% with 11 lines in your changes missing coverage. Please review.
✅ Project coverage is 65.24%. Comparing base (59cee9a) to head (5b5e21d).
⚠️ Report is 13 commits behind head on main.

Files with missing lines Patch % Lines
lambench/tasks/calculator/diatomics/diatomics.py 70.00% 5 Missing and 4 partials ⚠️
lambench/metrics/utils.py 66.66% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #453      +/-   ##
==========================================
+ Coverage   64.82%   65.24%   +0.42%     
==========================================
  Files          37       37              
  Lines        1831     1882      +51     
  Branches      224      230       +6     
==========================================
+ Hits         1187     1228      +41     
- Misses        597      602       +5     
- Partials       47       52       +5     

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