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nlesc-nano / nano-CAT

A collection of tools for the analysis of nanocrystals.
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Calculate the pKa when running the COSMO-RS workflow #63

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

Closes https://github.com/nlesc-nano/nano-CAT/issues/60.

codecov[bot] commented 3 years ago

Codecov Report

Merging #63 into master will decrease coverage by 1.11%. The diff coverage is 0.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #63      +/-   ##
==========================================
- Coverage   35.96%   34.84%   -1.12%     
==========================================
  Files          30       30              
  Lines        2055     2121      +66     
==========================================
  Hits          739      739              
- Misses       1316     1382      +66
Impacted Files Coverage Δ
nanoCAT/ligand_solvation.py 0.00% <0.00%> (ø)

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