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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

fix token positions #59

Closed Albkat closed 1 year ago

Albkat commented 1 year ago

to fix the EIn format reader

codecov[bot] commented 1 year ago

Codecov Report

Merging #59 (6ed01de) into main (cc30341) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main      #59   +/-   ##
=======================================
  Coverage   69.86%   69.86%           
=======================================
  Files          64       64           
  Lines        8562     8562           
  Branches     2546     2546           
=======================================
  Hits         5982     5982           
  Misses        784      784           
  Partials     1796     1796
Impacted Files Coverage Δ
src/mctc/io/read/gaussian.f90 68.85% <100.00%> (ø)

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Albkat commented 1 year ago

Good catch. Could we add a regression test for this as well?

I added new checks for this but accidentally pushed it to the central repo. You could check it here: 305eb7af799ea30ddb0668ebdaa3f952adbb4b18