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PCMSolver / pcmsolver

An API for the Polarizable Continuum Model
http://pcmsolver.readthedocs.io/
GNU Lesser General Public License v3.0
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Changed buffer size for PCMInput::radii_set. This fixes #194. #195

Closed nielskm closed 3 years ago

nielskm commented 3 years ago

A fix for issue #194 .

robertodr commented 3 years ago

Thanks for reporting (and fixing!) I think you need to apply a similar fix to the pcmsolver.f90 file though: https://github.com/PCMSolver/pcmsolver/blob/master/api/pcmsolver.f90#L35

nielskm commented 3 years ago

I believe the Fortran interface has been fixed now as well (although I am no Fortran programmer).

codecov[bot] commented 3 years ago

Codecov Report

Merging #195 (ff32941) into master (183a20e) will not change coverage. The diff coverage is 50.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #195   +/-   ##
=======================================
  Coverage   74.48%   74.48%           
=======================================
  Files         246      246           
  Lines       17663    17663           
=======================================
  Hits        13156    13156           
  Misses       4507     4507
Impacted Files Coverage Δ
api/pcmsolver.f90 67.30% <50.00%> (ø)

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