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Codecov Report

Attention: Patch coverage is 90.63893% with 63 lines in your changes missing coverage. Please review.

Project coverage is 75.45%. Comparing base (4a1b232) to head (1be0faa).
Report is 15 commits behind head on main.

Files with missing lines	Patch %	Lines
alignn/ff/calculators.py	87.37%	26 Missing ⚠️
alignn/models/ealignn_atomwise.py	90.47%	20 Missing ⚠️
alignn/models/utils.py	83.13%	14 Missing ⚠️
alignn/ff/ff.py	96.07%	2 Missing ⚠️
alignn/lmdb_dataset.py	66.66%	1 Missing ⚠️

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Additional details and impacted files

@@            Coverage Diff             @@
##             main     #179      +/-   ##
==========================================
+ Coverage   71.58%   75.45%   +3.86%     
==========================================
  Files          17       20       +3     
  Lines        3009     3605     +596     
==========================================
+ Hits         2154     2720     +566     
- Misses        855      885      +30     

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