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Created
Wed, Mar 12, 05:52
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.

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