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@awvwgk awvwgk commented Jul 8, 2022

Fixes #63

@awvwgk awvwgk added the bug Something isn't working label Jul 8, 2022
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codecov bot commented Jul 8, 2022

Codecov Report

Merging #75 (e5b215a) into main (6262370) will not change coverage.
The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main      #75   +/-   ##
=======================================
  Coverage   72.58%   72.58%           
=======================================
  Files         123      123           
  Lines       15489    15489           
  Branches     4607     4607           
=======================================
  Hits        11243    11243           
  Misses       2182     2182           
  Partials     2064     2064           
Impacted Files Coverage Δ
src/tblite/solvation/born.f90 87.43% <100.00%> (ø)
python/tblite/interface.py 89.58% <0.00%> (ø)

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@awvwgk awvwgk merged commit 102c421 into tblite:main Jul 8, 2022
@awvwgk awvwgk deleted the born branch July 8, 2022 12:42
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Minor error in calculation of Born radii

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