4 # The contents of this file are subject to the terms of the Common Development
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11 # When distributing Covered Code, include this CDDL HEADER in each file and
12 # include the License file in a prominent location with the name LICENSE.CDDL.
13 # If applicable, add the following below this CDDL HEADER, with the fields
14 # enclosed by brackets "[]" replaced with your own identifying information:
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22 # Copyright (c) 2013--2019, Regents of the University of Minnesota.
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29 This directory (ex_model_driver_P_LJ) contains a shifted Lennard-Jones
30 pair potential Model driver written in Fortran 90.
32 phi(r) = 4 * epsilon * ( (sigma/r)^12 - (sigma/r)^6 ) + shift
34 where shift is computed so that phi(rcut) = 0.0
36 To create a KIM Model from this Model Driver, one parameter file is required.
37 This file must have the following format:
38 Line 1: `SpeciesName' string with element symbol
39 Line 1: `cutoff' value in angstroms
40 Line 2: Lennard-Jones `epsilon' value in eV
41 Line 3: Lennard-Jones `sigma' value in Angstroms