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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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MAINT: Create a dedicated module for handling periodicty-related utility functions #224

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

Xref https://github.com/nlesc-nano/auto-FOX/issues/202.

codecov[bot] commented 3 years ago

Codecov Report

Merging #224 (75dfe7e) into master (3e483da) will decrease coverage by 0.04%. The diff coverage is 78.94%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #224      +/-   ##
==========================================
- Coverage   76.88%   76.83%   -0.05%     
==========================================
  Files          62       63       +1     
  Lines        6520     6554      +34     
  Branches     1137     1142       +5     
==========================================
+ Hits         5013     5036      +23     
- Misses       1215     1225      +10     
- Partials      292      293       +1
Impacted Files Coverage Δ
FOX/functions/periodic.py 75.00% <75.00%> (ø)
FOX/classes/multi_mol.py 76.77% <91.66%> (-0.28%) :arrow_down:
FOX/functions/adf.py 88.88% <100.00%> (-0.14%) :arrow_down:

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