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Add support for totalCharge and totalSpinMultiplicity in CJSON #51

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merged 2 commits into from
Aug 1, 2022

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@awvwgk awvwgk commented Aug 1, 2022

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codecov bot commented Aug 1, 2022

Codecov Report

Merging #51 (653b864) into main (abfbff1) will increase coverage by 0.96%.
The diff coverage is 70.40%.

@@            Coverage Diff             @@
##             main      #51      +/-   ##
==========================================
+ Coverage   68.78%   69.75%   +0.96%     
==========================================
  Files          64       64              
  Lines        8403     8496      +93     
  Branches     2503     2534      +31     
==========================================
+ Hits         5780     5926     +146     
+ Misses        873      784      -89     
- Partials     1750     1786      +36     
Impacted Files Coverage Δ
src/mctc/io/write/cjson.f90 24.84% <9.09%> (+0.86%) ⬆️
test/test_read_cjson.f90 81.23% <75.94%> (+18.09%) ⬆️
src/mctc/io/read/cjson.F90 68.85% <100.00%> (+1.90%) ⬆️

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@awvwgk awvwgk merged commit 8fd9e43 into grimme-lab:main Aug 1, 2022
@awvwgk awvwgk deleted the cjson branch August 1, 2022 09:12
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