Published September 30, 2014 | Version v1
Software Open

PCMSolver

Creators

  • 1. CTCC, Universitetet i Tromsø

Description

This is the first release of the PCMSolver module. PCMSolver is an API for the polarizable continuum model (PCM) , a continuum solvation model. PCMSolver can be interfaced to a quantum chemistry host program to provide PCM functionality. In the current release the basic features of the PCM are made available:

  • GePol cavity generator;
  • IEFPCM and CPCM solvers for isotropic uniform dielectrics;
  • flexible Green's function definition for isotropic uniform dielectrics.

Full documentation can be found here: http://pcmsolver.github.io/pcmsolver-doc/

Files

pcmsolver-1.0.0.zip

Files (74.6 MB)

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Additional details

Related works

Is supplement to
https://github.com/PCMSolver/pcmsolver/tree/1.0.0 (URL)
http://pcmsolver.github.io/pcmsolver-doc/ (URL)