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]

_images/pcmsolver-scheme.png

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 or on zenodo.

@misc{PCMSolver,
  note = {\texttt{PCMSolver}, v1.1.9 an Application Programming Interface for the
	Polarizable Continuum Model electrostatic problem, written by R.~Di~Remigio, L.~Frediani and K.~Mozgawa
        with contributions from R.~Bast, J.~Juselius and V.~Weijo
        (see http://pcmsolver.readthedocs.io/)"
}

Contents:

Indices and tables