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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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BUG: Fixed an issue where writing `nan` to `armc.xyz.hdf5` would fail #195

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

Pinging @RobertaPascazio

codecov[bot] commented 3 years ago

Codecov Report

Merging #195 (35b5b3d) into master (afbd944) will increase coverage by 0.02%. The diff coverage is 0.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #195      +/-   ##
==========================================
+ Coverage   75.04%   75.06%   +0.02%     
==========================================
  Files          61       61              
  Lines        5994     5992       -2     
  Branches      996      995       -1     
==========================================
  Hits         4498     4498              
+ Misses       1244     1241       -3     
- Partials      252      253       +1
Impacted Files Coverage Δ
FOX/io/hdf5_utils.py 79.69% <0.00%> (+0.48%) :arrow_up:
FOX/io/read_psf.py 80.41% <0.00%> (ø)

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