forked from lijiext/lammps
30 lines
826 B
Plaintext
30 lines
826 B
Plaintext
AWPMD (Antisymmetrized Wave Packet Molecular Dynamics) library
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Ilya Valuev, Igor Morozov, JIHT RAS
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valuev at physik.hu-berlin.de
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June 2011
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This is version 0.9 of the AWPMD library taken from JIHT GridMD project.
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It contains interface to calculate electronic and electron-ion Hamiltonian,
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norm matrix and forces for AWPMD method.
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This library must be built with a C++ compiler, before LAMMPS is
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built, so LAMMPS can link against it.
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Build the library using one of the provided Makefiles or creating your
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own, specific to your compiler and system. For example:
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make -f Makefile.openmpi++
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If the build is successful, you should end up with a libawpmd.a file.
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--------------
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AWPMD is an open source program distributed under the terms
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of wxWidgets Library License (see license directory for details).
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