/* * ======================================================================================= * * Author: Jan Eitzinger (je), jan.eitzinger@fau.de * Copyright (c) 2020 RRZE, University Erlangen-Nuremberg * * This file is part of MD-Bench. * * MD-Bench 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 3 of the License, or * (at your option) any later version. * * MD-Bench 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 MD-Bench. If not, see . * ======================================================================================= */ #ifndef __PARAMETER_H_ #define __PARAMETER_H_ #if PRECISION == 1 #define MD_FLOAT float #else #define MD_FLOAT double #endif // Number of times to compute the most internal loop #ifndef INTERNAL_LOOP_NTIMES #define INTERNAL_LOOP_NTIMES 1 #endif typedef struct { MD_FLOAT epsilon; MD_FLOAT sigma6; MD_FLOAT temp; MD_FLOAT rho; MD_FLOAT mass; int ntypes; int ntimes; int nstat; int every; MD_FLOAT dt; MD_FLOAT dtforce; MD_FLOAT cutforce; MD_FLOAT cutneigh; int nx, ny, nz; MD_FLOAT lattice; MD_FLOAT xprd, yprd, zprd; } Parameter; #endif