# # 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) 2012, Regents of the University of Minnesota. All rights reserved. # # Contributors: # Ryan S. Elliott # Ellad B. Tadmor # Valeriu Smirichinski # ####################################################################################################### # # See KIM_API/standard.kim for documentation about this file # ####################################################################################################### Unit_Handling := fixed Unit_length := A Unit_energy := eV Unit_charge := e Unit_temperature := K Unit_time := ps ####################################################################################################### SUPPORTED_ATOM/PARTICLES_TYPES: # Symbol/name Type code Zr spec 1 O spec 2 Y spec 3 ####################################################################################################### CONVENTIONS: # Name Type ZeroBasedLists flag #Neigh_BothAccess flag #Neigh_IterAccess flag Neigh_LocaAccess flag NEIGH_PURE_F flag NEIGH_RVEC_F flag MI_OPBC_F flag ####################################################################################################### MODEL_INPUT: # Name Type Unit Shape Requirements numberOfParticles integer none [] numberContributingParticles integer none [] optional numberParticleTypes integer none [] particleTypes integer none [numberOfParticles] coordinates double length [numberOfParticles,3] boxSideLengths double length [3] optional get_neigh method none [] optional neighObject pointer none [] optional ####################################################################################################### MODEL_OUTPUT: # Name Type Unit Shape Requirements destroy method none [] optional compute method none [] reinit method none [] optional cutoff double length [] energy double energy [] optional forces double force [numberOfParticles,3] optional particleEnergy double energy [numberOfParticles] optional #virial double energy [6] optional ####################################################################################################### MODEL_PARAMETERS: # Name Type Unit Shape Requirements # --- No published parameters ---