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

			This fix enables LAMMPS to be used in a QM/MM simulation, currently
			only in combination with pw.x code from the Quantum ESPRESSO package.

			This package uses an external library in lib/qmmm which must be
			compiled before making LAMMPS. See the lib/qmmm/README file and the
			LAMMPS manual for information on building LAMMPS with external
			libraries. The settings in the Makefile.lammps file in that directory
			must be correct for LAMMPS to build correctly with this package
			installed.

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

			---------------------------------

			Version: 2014-04-05

lammps/src/USER-QMMM/README
e368acdaeb22master

README
View Options