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Add PySCF B3LYP variant names and DM21 functionals #42

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merged 1 commit into from
Jul 12, 2023

Add PySCF B3LYP variant names and DM21 functionals

c7628bd
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Merged

Add PySCF B3LYP variant names and DM21 functionals #42

Add PySCF B3LYP variant names and DM21 functionals
c7628bd
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Codecov / codecov/project succeeded Jul 12, 2023 in 0s

50.42% (+0.06%) compared to dd59132

View this Pull Request on Codecov

50.42% (+0.06%) compared to dd59132

Details

Codecov Report

Merging #42 (c7628bd) into main (dd59132) will increase coverage by 0.06%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##             main      #42      +/-   ##
==========================================
+ Coverage   50.35%   50.42%   +0.06%     
==========================================
  Files          34       34              
  Lines        3753     3758       +5     
  Branches     1595     1595              
==========================================
+ Hits         1890     1895       +5     
  Misses       1192     1192              
  Partials      671      671              
Impacted Files Coverage Δ
test/unit/test_param.f90 48.41% <ø> (ø)
src/dftd3/param.f90 94.11% <100.00%> (+0.07%) ⬆️

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