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nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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BUG: Fixed an issue wherein frozen atomic charges were ignored when not explicitly specified #240

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #240 (b14f55a) into master (f7c0489) will decrease coverage by 0.00%. The diff coverage is 75.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #240      +/-   ##
==========================================
- Coverage   76.54%   76.54%   -0.01%     
==========================================
  Files          64       64              
  Lines        6780     6788       +8     
  Branches     1200     1204       +4     
==========================================
+ Hits         5190     5196       +6     
- Misses       1272     1273       +1     
- Partials      318      319       +1
Impacted Files Coverage Δ
FOX/armc/sanitization.py 90.41% <75.00%> (-0.31%) :arrow_down:

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