Welcome to PCMSolver’s documentation!

This is the documentation for the PCMSolver application programming interface. PCMSolver is an API for solving the Polarizable Continuum Model electrostatic problem [TMC05]


With PCMSolver we aim to:

  1. provide a plug-and-play library for adding the PCM functionality to any quantum chemistry program;

  2. create a playground for easily extending the implementation of the model.

PCMSolver is distributed under the terms of the GNU Lesser General Public License. An archive with the currently released source can be found on GitHub.

  note = "{\texttt{PCMSolver}, an open-source library for the polarizable continuum model
  electrostatic problem, written by R.~Di~Remigio,
  L.~Frediani and contributors (see http://pcmsolver.readthedocs.io/)}"
  doi= "10.5281/zenodo.1156166"

PCMSolver has been added to the following quantum chemistry programs

Don’t see you code listed here? Please contact us.

Indices and tables