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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: Check if the .hdf5 file is accessible before opening it, not after #198

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #198 (cfc061e) into master (cbf47de) will increase coverage by 0.04%. The diff coverage is 80.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #198      +/-   ##
==========================================
+ Coverage   75.09%   75.14%   +0.04%     
==========================================
  Files          61       61              
  Lines        6002     6002              
  Branches      996      996              
==========================================
+ Hits         4507     4510       +3     
+ Misses       1243     1241       -2     
+ Partials      252      251       -1
Impacted Files Coverage Δ
FOX/armc/armc.py 87.60% <80.00%> (ø)
FOX/armc/armc_pt.py 87.50% <0.00%> (+2.50%) :arrow_up:

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