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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: Log more ARMC-related info #165

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

Dump more info in the ARMC logger (at the debug level).

codecov[bot] commented 3 years ago

Codecov Report

Merging #165 (ed4742b) into master (45e3611) will increase coverage by 0.01%. The diff coverage is 90.90%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #165      +/-   ##
==========================================
+ Coverage   72.24%   72.26%   +0.01%     
==========================================
  Files          57       57              
  Lines        5797     5804       +7     
  Branches      964      964              
==========================================
+ Hits         4188     4194       +6     
- Misses       1381     1382       +1     
  Partials      228      228
Impacted Files Coverage Δ
FOX/armc/monte_carlo.py 80.72% <88.88%> (-0.03%) :arrow_down:
FOX/armc/armc.py 73.14% <100.00%> (+0.25%) :arrow_up:

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