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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: Add error functions based on non-mse errors #256

Closed BvB93 closed 2 years ago

BvB93 commented 2 years ago

Error functions based on the mean, rather than the mean squared:

codecov[bot] commented 2 years ago

Codecov Report

Merging #256 (6d733a2) into master (562ab45) will decrease coverage by 0.18%. The diff coverage is 10.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #256      +/-   ##
==========================================
- Coverage   75.48%   75.29%   -0.19%     
==========================================
  Files          65       65              
  Lines        6925     6945      +20     
  Branches     1243     1245       +2     
==========================================
+ Hits         5227     5229       +2     
- Misses       1367     1385      +18     
  Partials      331      331
Impacted Files Coverage Δ
FOX/armc/__init__.py 100.00% <ø> (ø)
FOX/armc/err_funcs.py 27.05% <10.00%> (-5.25%) :arrow_down:

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