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# Copyright (c) 2012,   Institute for Theoretical and Applied Physics
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# Contributors:
#    Daniel Schopf
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This directory (IMD_EAM) contains a Model Driver written in C for
EAM potentials in IMD format. It reads tabulated potentials and calculates
forces and energies by interpolating between these values.

The format is described on the IMD homepage:

http://imd.itap.physik.uni-stuttgart.de/userguide/eam2.html

Currently the computation of 'energy', 'forces, 'particleEnergy' and 'process_dEdr' are
supported.

To create a KIM Model from this Model Driver, a parameter file and the three potential
files are required.

The parameter files, in order are:
- the pair potential file (IMD parameter core_potential_file)
- the electron density file (IMD parameter atomic_e-density_file)
- the embedding function file (IMD parameter embedding_energy_file)

The following files are in this directory:

Makefile
    makefile to compile and build executables with GNU or Intel compilers

README
    This file

IMD_EAM.c
    C file containing the implementation of the IMD EAM potential Model Driver

IMD_EAM.h
    Header file containing prototypes and macro definitions

IMD_EAM.kim
    Template KIM descriptor file containing all variables and methods that are
    exposed by the driver through the KIM API interface.  This file will be
    used (by the make system) to generate a KIM descriptor file for each KIM
    Model based on this Model Driver.