PCMSolver / pcmsolver

An API for the Polarizable Continuum Model
http://pcmsolver.readthedocs.io/
GNU Lesser General Public License v3.0
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Fluctuating charges MM model #189

Closed robertodr closed 3 years ago

robertodr commented 3 years ago

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codecov[bot] commented 3 years ago

Codecov Report

Merging #189 (faaaa33) into master (477afe0) will increase coverage by 0.39%. The diff coverage is 87.62%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #189      +/-   ##
==========================================
+ Coverage   74.09%   74.48%   +0.39%     
==========================================
  Files         243      246       +3     
  Lines       17453    17663     +210     
==========================================
+ Hits        12931    13156     +225     
+ Misses       4522     4507      -15     
Impacted Files Coverage Δ
src/interface/Meddle.hpp 100.00% <ø> (ø)
tests/green/AnalyticEvaluate.hpp 63.54% <0.00%> (+1.29%) :arrow_up:
src/bin/run_pcm.cpp 93.18% <75.00%> (-1.95%) :arrow_down:
...ests/numerical_quadrature/numerical_quadrature.cpp 88.73% <75.00%> (-2.32%) :arrow_down:
src/interface/Meddle.cpp 55.46% <77.77%> (+3.28%) :arrow_up:
src/mmfq/FQOhno.hpp 90.00% <90.00%> (ø)
src/interface/Input.cpp 80.00% <95.83%> (+1.24%) :arrow_up:
src/mmfq/FQOhno.cpp 97.05% <97.05%> (ø)
src/interface/Input.hpp 96.29% <100.00%> (+0.64%) :arrow_up:
tests/mmfq/mmfq-ohno.cpp 100.00% <100.00%> (ø)
... and 13 more

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