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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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ENH: Update `FOX.properties` #200

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago
codecov[bot] commented 3 years ago

Codecov Report

Merging #200 (fd34bdc) into master (6f43400) will increase coverage by 0.09%. The diff coverage is 56.09%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #200      +/-   ##
==========================================
+ Coverage   75.11%   75.21%   +0.09%     
==========================================
  Files          61       59       -2     
  Lines        6004     5991      -13     
  Branches      997      998       +1     
==========================================
- Hits         4510     4506       -4     
+ Misses       1242     1232      -10     
- Partials      252      253       +1
Impacted Files Coverage Δ
FOX/io/__init__.py 100.00% <ø> (ø)
FOX/properties/pressure.py 42.85% <16.66%> (-3.09%) :arrow_down:
FOX/properties/bulk_modulus.py 50.00% <20.00%> (-3.34%) :arrow_down:
FOX/properties/base.py 66.66% <67.85%> (+4.76%) :arrow_up:
FOX/properties/__init__.py 100.00% <100.00%> (ø)
FOX/io/read_psf.py 80.41% <0.00%> (ø)

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