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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 wherein incorrect indices were assigned to atom aliases #217

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #217 (87a4e31) into master (314b7ea) will increase coverage by 0.07%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #217      +/-   ##
==========================================
+ Coverage   76.05%   76.12%   +0.07%     
==========================================
  Files          60       60              
  Lines        6335     6337       +2     
  Branches     1086     1087       +1     
==========================================
+ Hits         4818     4824       +6     
+ Misses       1236     1234       -2     
+ Partials      281      279       -2
Impacted Files Coverage Δ
FOX/io/read_psf.py 81.88% <100.00%> (+0.33%) :arrow_up:
FOX/armc/armc_pt.py 87.50% <0.00%> (+2.50%) :arrow_up:

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