This package implements the "fix qmmm" command which can be used in a LAMMPS input script.

This fix allows to do QM/MM simulations, currently only in combination with pw.x code from the Quantum ESPRESSO package.

The person who created this package is Axel Kohlmeyer at Temple U (akohlmey at gmail.com). Contact him directly if you have questions.

Version: 2013-10-01