57 lines
1.6 KiB
C
57 lines
1.6 KiB
C
/*
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* =======================================================================================
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*
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* Author: Jan Eitzinger (je), jan.eitzinger@fau.de
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* Copyright (c) 2020 RRZE, University Erlangen-Nuremberg
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*
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* This file is part of MD-Bench.
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*
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* MD-Bench is free software: you can redistribute it and/or modify it
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* under the terms of the GNU Lesser General Public License as published
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* by the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* MD-Bench is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A
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* PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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* details.
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*
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* You should have received a copy of the GNU Lesser General Public License along
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* with MD-Bench. If not, see <https://www.gnu.org/licenses/>.
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* =======================================================================================
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*/
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#ifndef __PARAMETER_H_
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#define __PARAMETER_H_
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#if PRECISION == 1
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#define MD_FLOAT float
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#else
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#define MD_FLOAT double
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#endif
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typedef struct {
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int force_field;
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char* input_file;
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char* vtk_file;
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MD_FLOAT epsilon;
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MD_FLOAT sigma6;
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MD_FLOAT temp;
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MD_FLOAT rho;
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MD_FLOAT mass;
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int ntypes;
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int ntimes;
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int nstat;
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int every;
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MD_FLOAT dt;
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MD_FLOAT dtforce;
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MD_FLOAT cutforce;
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MD_FLOAT cutneigh;
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int nx, ny, nz;
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MD_FLOAT lattice;
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MD_FLOAT xlo, xhi, ylo, yhi, zlo, zhi;
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MD_FLOAT xprd, yprd, zprd;
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double proc_freq;
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char* eam_file;
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} Parameter;
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#endif
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