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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
9 stars 8 forks source link

BUG: Fixed an issue where parsing the `unit` would fail when parameter guessing #196

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

Pinging @RobertaPascazio again.

codecov[bot] commented 3 years ago

Codecov Report

Merging #196 (c8d9b8f) into master (afbd944) will increase coverage by 0.00%. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #196   +/-   ##
=======================================
  Coverage   75.04%   75.04%           
=======================================
  Files          61       61           
  Lines        5994     5995    +1     
  Branches      996      996           
=======================================
+ Hits         4498     4499    +1     
+ Misses       1244     1243    -1     
- Partials      252      253    +1
Impacted Files Coverage Δ
FOX/armc/sanitization.py 91.85% <100.00%> (+0.02%) :arrow_up:
FOX/io/read_psf.py 80.41% <0.00%> (ø)

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