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 a `max`-based error function #250

Closed BvB93 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #250 (f90949b) into master (c9ed3a7) will decrease coverage by 0.05%. The diff coverage is 33.33%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #250      +/-   ##
==========================================
- Coverage   75.67%   75.62%   -0.06%     
==========================================
  Files          65       65              
  Lines        6910     6916       +6     
  Branches     1236     1235       -1     
==========================================
+ Hits         5229     5230       +1     
- Misses       1353     1357       +4     
- Partials      328      329       +1     
Impacted Files Coverage Δ
FOX/armc/err_funcs.py 50.00% <29.41%> (-6.67%) :arrow_down:
FOX/armc/__init__.py 100.00% <100.00%> (ø)
FOX/io/read_psf.py 79.53% <0.00%> (ø)

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