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grimme-lab / mctc-lib

Modular computation tool chain library
https://grimme-lab.github.io/mctc-lib
Apache License 2.0
15 stars 17 forks source link

Update chain information when switching creating terminators in PDB #42

Closed awvwgk closed 2 years ago

awvwgk commented 2 years ago
codecov[bot] commented 2 years ago

Codecov Report

Merging #42 (406f21a) into main (d2411d9) will decrease coverage by 0.00%. The diff coverage is 0.00%.

@@            Coverage Diff             @@
##             main      #42      +/-   ##
==========================================
- Coverage   69.80%   69.80%   -0.01%     
==========================================
  Files          60       60              
  Lines        7615     7616       +1     
  Branches     2232     2232              
==========================================
  Hits         5316     5316              
- Misses        738      739       +1     
  Partials     1561     1561
Impacted Files Coverage Δ
src/mctc/io/write/pdb.f90 24.44% <0.00%> (-0.56%) :arrow_down:

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