# # 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 # # # Copyright (c) 2013--2014, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Ryan S. Elliott # Ellad B. Tadmor # Valeriu Smirichinski # Mingjian Wen # # # Release: This file is part of the the paper: # Interpolation effects in tabulated potentials, # submitted to Modelling Simulation Mater. Sci. Eng. This directory (Pair_Morse_Modified_MacDonaldMacDonald_Cu__MO_034823476734_000) contains a modified Morse Model due to MacDonald and MacDonald. It complies with the KIM API library, supporting all NBCs and Locator and Iterator mode, and publishes its parameters, and supports optional computation of `energy', `forces', `particleEnergy', and `virial'. Detail information about the potentials can be found at: MacDonald, Rosemary A. and MacDonald, William M. "Thermodynamic properties of fcc metals at high temperatures." Physical Review B 24.4 (1981): 1715. The following files are in this directory (before any compilation is performed): LICENSE.CDDL The Common Development and Distribution License (CDDL) Version 1.0 file Makefile Makefile to build executables with GNU or Intel compilers README this file Pair_Morse_Modified_MacDonaldMacDonald_Cu.c c file that contains the implementation of the modified Morse potential. Pair_Morse_Modified_MacDonaldMacDonald_Cu.kim KIM descriptor file, contains all variables and methods that are exposed through the KIM API interface.