#
# CDDL HEADER START
#
# The contents of this file are subject to the terms of the Common Development
# and Distribution License Version 1.0 (the "License").
#
# You can obtain a copy of the license at
# http://www.opensource.org/licenses/CDDL-1.0.  See the License for the
# specific language governing permissions and limitations under the License.
#
# When distributing Covered Code, include this CDDL HEADER in each file and
# include the License file in a prominent location with the name LICENSE.CDDL.
# If applicable, add the following below this CDDL HEADER, with the fields
# enclosed by brackets "[]" replaced with your own identifying information:
#
#
# CDDL HEADER END
#

#
# Copyright (c) 2012, Mark R. Gilbert, CCFE Fusion Association.  All rights reserved.
#
# Contributors:
#    Mark R. Gilbert
#

#
#
#

This directory contains an EAM-like Model driver written in Fortran 90.

See Reference: Dudarev and Derlet., J. Phys.: Condens. Matter 17 (2005) 7097
or. Mendelev et al. Phil. Mag. 83 (2003) 3977
For details of functional forms

The model driver publishes its parameters, and supports optional computation of
`energy', `forces', `particleEnergy', `process_dEdr', and `process_dE2dr2'.

To create a KIM Model from this Model Driver, a parameter file is required.
This file must have the following format:
   Line 1: chemical symbol of the relevant species, e.g. Fe
   Line 2: cutoff value in angstroms
   Line 3: atomic number for biersack-ziegler short-range coloumb screening function
   Line 4: cutoff for coloumb function, cutoff for interpolating function (between coloumb and outer main potential),
           logical flag to define whether interpolating function is a linear polynomial (true) or not (false)
           number of interpolating coefficients,
           rho**2 pre-factor for certain potentials (e.g. Fe, Mendelev) - can be zero
   Line 5: number of density knot points, number of pair-potential knot points
   Line 6: integer dummy, sqrt(rho) prefactor of embedding function ("A"), dummy logical
   Line 7: integer dummy, embedding function magnetic term prefactor -
           zero for non-magnetic potentials ("B"), dummy logical
   Line 8 onwards: lines per density knot function and then lines per pair-part knot function
                   integer dummy, knot coefficient, dummy logical, knot point
   Next lines: line per interpolating coefficient - coefficient on each line
   Last line : text descriptor for potential.