lammps/lib/awpmd

AWPMD (Antisymmetrized Wave Packet Molecular Dynamics) library

Ilya Valuev, Igor Morozov, JIHT RAS
valuev at physik.hu-berlin.de
June 2011

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This is version 0.9 of the AWPMD library taken from JIHT GridMD project.
It contains interface to calculate electronic and electron-ion Hamiltonian, 
norm matrix and forces for AWPMD method.


This library must be built with a C++ compiler, before LAMMPS is
built, so LAMMPS can link against it.

Build the library using one of the provided Makefiles or creating your
own, specific to your compiler and system.  For example:

make -f Makefile.openmpi++

If the build is successful, you should end up with a libawpmd.a file.

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AWPMD is an open source program distributed under the terms
of wxWidgets Library License (see license directory for details).