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dftd3 / simple-dftd3

reimplementation of the DFT-D3 program
https://dftd3.readthedocs.io
GNU Lesser General Public License v3.0
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Use consistent s9 parameters in parameters file #28

Closed awvwgk closed 1 year ago

awvwgk commented 1 year ago

Closes #27

codecov[bot] commented 1 year ago

Codecov Report

Merging #28 (311f75e) into main (84ba953) will increase coverage by 0.03%. The diff coverage is n/a.

@@            Coverage Diff             @@
##             main      #28      +/-   ##
==========================================
+ Coverage   50.32%   50.35%   +0.03%     
==========================================
  Files          34       34              
  Lines        3750     3753       +3     
  Branches     1595     1595              
==========================================
+ Hits         1887     1890       +3     
  Misses       1192     1192              
  Partials      671      671
Impacted Files Coverage Δ
test/unit/test_param.f90 48.41% <0.00%> (ø)
src/dftd3/param.f90 94.04% <0.00%> (+0.04%) :arrow_up:

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