The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Ilya Valuev (valuev@physik.hu-berlin.de). Contact him directly if you have questions.

PACKAGE DESCRIPTION:

Contains a LAMMPS implementation of the Antisymmetrized Wave Packet Molecular Dynamics (AWPMD) method.

INSTALLATION:

• compile the awpmd library in lib/awpmd
• follow a normal LAMMPS package installation: make yes-user-awpmd

OTHERS FILES INCLUDED:

User examples are under examples/USER/awpmd

ACKNOWLEDGMENTS:

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