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# Copyright (c) 2013--2014, Regents of the University of Minnesota.
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# Contributors:
#    Ryan S. Elliott
#    Ellad B. Tadmor
#    Valeriu Smirichinski
#    Nikhil Chandra Admal

This directory contains a smoothed Lennard-Jones pair potential model driver
written in Fortran 2003.

   phi(r) = 4 * epsilon * ( (sigma/r)^12 - (sigma/r)^6 ) + A * r^2 + C

where 'A' and 'C' are computed so that phi and its derivative computed at
the cutoff radius are equal to zero.

It allows alteration of 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 atomic species, e.g. Ar
   Line 2: `cutoff' value in angstroms
   Line 3: Lennard-Jones `epsilon' value in eV
   Line 4: Lennard-Jones `sigma' value in Angstroms