4 # The contents of this file are subject to the terms of the Common Development
5 # and Distribution License Version 1.0 (the "License").
7 # You can obtain a copy of the license at
8 # http://www.opensource.org/licenses/CDDL-1.0. See the License for the
9 # specific language governing permissions and limitations under the License.
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:
16 # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
22 # Copyright (c) 2013--2019, Regents of the University of Minnesota.
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30 This directory (ex_model_driver_P_Morse) contains a shifted Morse pair potential
31 Model driver written in C.
33 phi(r) = epsilon * ( - exp[ -2*C*(r - Rzero) ] + 2*exp[ -C*(r - Rzero) ] )
36 where shift is computed so that phi(rcut) = 0.0
38 To create a KIM Model from this Model Driver, one parameter file is required.
39 This file must have the following format:
40 Line 1: `SpeciesName' string with element symbol
41 Line 2: `cutoff' value in angstroms
42 Line 3: Morse `epsilon' value in eV
43 Line 4: Morse `C' value in 1/Angstroms
44 Line 5: Morse `Rzero' value in Angstroms
45 Any additional lines will be silently ignored.