This package contains a LAMMPS implementation of the Antisymmetrized Wave Packet Molecular Dynamics (AWPMD) method.

See the doc page for the pair_style awpmd/cut command to get started.

There are example scripts for using this package in examples/USER/awpmd.

This package uses an external library in lib/awpmd which must be compiled before making LAMMPS. See the lib/awpmd/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 Ilya Valuev at the JIHT in Russia (valuev at physik.hu-berlin.de). Contact him directly if you have questions.

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ACKNOWLEDGMENTS:

Thanks to Steve Plimpton and Aidan Thompson for their help in adaptation of the AWPMD code to LAMMPS.