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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 parameters weren't properly sorted #230

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #230 (464c7a7) into master (b6d6286) will decrease coverage by 0.20%. The diff coverage is 79.59%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #230      +/-   ##
==========================================
- Coverage   76.82%   76.62%   -0.21%     
==========================================
  Files          63       64       +1     
  Lines        6603     6627      +24     
  Branches     1154     1158       +4     
==========================================
+ Hits         5073     5078       +5     
- Misses       1234     1247      +13     
- Partials      296      302       +6
Impacted Files Coverage Δ
FOX/functions/sorting.py 79.41% <79.41%> (ø)
FOX/armc/sanitization.py 91.81% <80.00%> (+1.54%) :arrow_up:
FOX/logger.py 83.58% <0.00%> (-8.96%) :arrow_down:
FOX/functions/cp2k_utils.py 48.27% <0.00%> (-6.90%) :arrow_down:
FOX/armc/package_manager.py 74.39% <0.00%> (-2.44%) :arrow_down:
FOX/armc/monte_carlo.py 78.70% <0.00%> (-1.39%) :arrow_down:
FOX/io/hdf5_utils.py 79.69% <0.00%> (-0.62%) :arrow_down:

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