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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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MAINT,ENH: Rework the auto-FOX properties system #253

Closed BvB93 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #253 (1f85a67) into master (968ecfa) will decrease coverage by 0.15%. The diff coverage is 82.47%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #253      +/-   ##
==========================================
- Coverage   75.78%   75.62%   -0.16%     
==========================================
  Files          65       65              
  Lines        6926     6910      -16     
  Branches     1236     1236              
==========================================
- Hits         5249     5226      -23     
- Misses       1348     1355       +7     
  Partials      329      329
Impacted Files Coverage Δ
FOX/properties/bulk_modulus.py 83.87% <73.68%> (-10.07%) :arrow_down:
FOX/properties/pressure.py 88.37% <75.00%> (-7.19%) :arrow_down:
FOX/properties/base.py 87.00% <87.50%> (+7.96%) :arrow_up:
FOX/properties/__init__.py 100.00% <100.00%> (ø)
FOX/armc/err_funcs.py 38.46% <0.00%> (-11.54%) :arrow_down:
FOX/io/read_psf.py 79.92% <0.00%> (ø)
FOX/armc/__init__.py 100.00% <0.00%> (ø)

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