# # 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: # Moon-ki Choi # # Model driver for a Bond-order potential based on a generalized Tersoff form, originally designed to provide a better representation of bulk and 2D silicon. The potential source is: G. P. Purja Pun and Y. Mishin, Phys. Rev. B, 95(21):224103, 2017, doi: 10.1103/PhysRevB.95.224103 This driver reads in one parameter file with the species followed by nine parameters (required units indicated in square brackets following the parameter): species A [eV] B [eV] lambda1 [1/Angstrom] lambda2 [1/Angstrom] eta [unitless] delta [unitless] alpha [unitless] beta [unitless] c0 [eV] c1 [unitless] c2 [unitless] c3 [unitless] c4 [unitless] c5 [unitless] h [unitless] R1 [Angstrom] R2 [Angstrom]