// // two_body.hpp // // LGPL Version 2.1 HEADER START // // This library is free software; you can redistribute it and/or // modify it under the terms of the GNU Lesser General Public // // License as published by the Free Software Foundation; either // version 2.1 of the License, or (at your option) any later version. // // This library 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 // Lesser General Public License for more details. // // You should have received a copy of the GNU Lesser General Public // License along with this library; if not, write to the Free Software // Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, // MA 02110-1301 USA // // LGPL Version 2.1 HEADER END // // // Copyright (c) 2020, Regents of the University of Minnesota. // All rights reserved. // // Contributors: // Yaser Afshar // #ifndef TWO_BODY_HPP #define TWO_BODY_HPP /*! \class TwoBody * \brief Helper data structure for \c MeamSplineCompute compute routine. * * \sa MEAMImplementation::MeamSplineCompute * */ struct TwoBody { /*! species index */ int index; /*! index type */ int species; /*! distance */ double r; /*! f */ double f; /*! f derivative */ double f_prime; /*! distance x component */ double dx; /*! distance y component */ double dy; /*! distance z component */ double dz; }; /*! \class SWTwoBody * \brief Helper data structure for \c MeamSWSplineCompute compute routine. * * \sa MEAMImplementation::MeamSWSplineCompute */ struct SWTwoBody { /*! species index */ int index; /*! distance */ double r; /*! f */ double f; /*! f derivative */ double f_prime; /*! SW f */ double sw_f; /*! SW f derivative */ double sw_f_prime; /*! distance x component */ double dx; /*! distance y component */ double dy; /*! distance z component */ double dz; }; #endif // TWO_BODY_HPP