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# Copyright (c) 2013, Regents of the University of Minnesota.
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# Contributors:
#    Ellad B. Tadmor
#    Ryan S. Elliott
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This directory (Pair_Lennard_Jones_Truncated) contains a truncated Lennard-Jones
pair potential model driver written in Fortran 90.

   phi(r) = 4 * epsilon * ( (sigma/r)^12 - (sigma/r)^6 ), if r <= rcut

          = 0,                                            otherwise

where 'rcut' is the cutoff radius.

It complies with the KIM API interface standard, using any NBC and iterator 
or locator mode, publishes its parameters, and supports optional computation 
of `energy', `forces', `particleEnergy', `process_dEdr', and `process_dE2dr2'.
Its initialization routine takes a KIM API object pointer, a pointer to a
two-dimensional character array (each row of which contains the full path to 
a parameter file) of the form a[b][c], a pointer to the value of c, and a pointer to the value of b.  This Model Driver expects that only b=1 and that 
the associated parameter file contains the cutoff and Lennard-Jones parameters
which define a KIM Model based on this KIM Model Driver.

To create a KIM Model from this Model Driver, a parameter file is required.
This file must have the following format:

   Line 1: `cutoff' value in angstroms
   Line 2: Lennard-Jones `epsilon' value in eV
   Line 3: Lennard-Jones `sigma' value in Angstroms

The following files are in this directory (before any compilation is performed):

LICENSE.CDDL
     The Common Development and Distribution License (CDDL) Version 1.0 file

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

README
    This file

Pair_Lennard_Jones_Truncated.F90
    Fortran 90 file that contains the implementation of the Lennard-Jones
    potential Model Driver

Pair_Lennard_Jones_Truncated.kim.tpl
    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.