# # 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: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Portions Copyright (c) 2019, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Daniel S. Karls # Ellad B. Tadmor # Ryan S. Elliott # # Portions Copyright (c) 2019, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Ramanish Singh # # Model driver for the Wang-Rockett three-body bond-order potential defined in J. Wang and A. Rockett (1991), Simulating diffusion on Si (001) 2× 1 surfaces using a modified interatomic potential Phys. Rev. B 43, 12 571 (1991). This driver reads in one parameter file with the species followed by fifteen parameters (required units indicated in square brackets following the parameter): species A [eV] B [eV] lambda1 [1/Angstrom] lambda2 [1/Angstrom] lambda3 [1/Angstrom] alpha [unitless] beta [unitless] n [unitless] c [unitless] d [unitless] h [unitless] R [Angstrom] D [Angstrom] Ra [Angstrom] Da [Angstrom]