26 lines
904 B
Plaintext
26 lines
904 B
Plaintext
This package contains a LAMMPS implementation of the Antisymmetrized
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Wave Packet Molecular Dynamics (AWPMD) method.
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See the doc page for the pair_style awpmd/cut command to get started.
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There are example scripts for using this package in
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examples/USER/awpmd.
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This package uses an external library in lib/awpmd which must be
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compiled before making LAMMPS. See the lib/awpmd/README file and the
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LAMMPS manual for information on building LAMMPS with external
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libraries. The settings in the Makefile.lammps file in that directory
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must be correct for LAMMPS to build correctly with this package
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installed.
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The person who created this package is Ilya Valuev at the JIHT in
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Russia (valuev at physik.hu-berlin.de). Contact him directly if you
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have questions.
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----------------------
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ACKNOWLEDGMENTS:
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Thanks to Steve Plimpton and Aidan Thompson for their help in
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adaptation of the AWPMD code to LAMMPS.
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