// -*- C++ -*- // // asap_emt_driver.h: OpenKIM Model Driver interface for EMT. // // Copyright (C) 2012-2013 Jakob Schiotz and the Department of Physics, // Technical University of Denmark. Email: schiotz@fysik.dtu.dk // // This file is part of Asap version 3. // Asap is released under the GNU Lesser Public License (LGPL) version 3. // However, the parts of Asap distributed within the OpenKIM project // (including this file) are also released under the Common Development // and Distribution License (CDDL) version 1.0. // // This program is free software: you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public License // version 3 as published by the Free Software Foundation. Permission // to use other versions of the GNU Lesser General Public License may // granted by Jakob Schiotz or the head of department of the // Department of Physics, Technical University of Denmark, as // described in section 14 of the GNU General Public License. // // This program is distributed in the hope that it will be useful, // but WITHOUT ANY WARRANTY; without even the implied warranty of // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the // GNU General Public License for more details. // // You should have received a copy of the GNU General Public License // and the GNU Lesser Public License along with this program. If not, // see . #include "EMT.h" #include "asap_kim_api.h" namespace ASAPSPACE { class AsapKimPotential; class KimEMT : public EMT, public PotentialKimMixin { public: KimEMT(AsapKimPotential *owner, EMTParameterProvider *provider); virtual ~KimEMT(); virtual void CreateNeighborList(); virtual int ComputeArgumentsCreate( KIM::ModelComputeArgumentsCreate * const modelComputeArgumentsCreate) const; private: EMTParameterProvider *prov; AsapKimPotential *owner; public: // We need to store pointers to these. double influenceDistance; int modelWillNotRequestNeighborsOfNoncontributingParticles; }; } // end namespace