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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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Update for mctc-lib 0.3.0 #15

Closed awvwgk closed 2 years ago

awvwgk commented 2 years ago

Migration to CODATA2018

codecov[bot] commented 2 years ago

Codecov Report

Merging #15 (f7085c5) into main (d495322) will not change coverage. The diff coverage is 0.00%.

@@           Coverage Diff           @@
##             main      #15   +/-   ##
=======================================
  Coverage   50.20%   50.20%           
=======================================
  Files          34       34           
  Lines        3719     3719           
  Branches     1578     1578           
=======================================
  Hits         1867     1867           
  Misses       1192     1192           
  Partials      660      660
Impacted Files Coverage Δ
test/unit/test_dftd3.f90 66.54% <0.00%> (ø)
test/unit/test_model.f90 44.32% <ø> (ø)
test/unit/test_ncoord.f90 60.68% <ø> (ø)
test/unit/test_param.f90 48.41% <ø> (ø)
test/unit/test_periodic.f90 57.03% <0.00%> (ø)

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