51 lines
1.9 KiB
C
51 lines
1.9 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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#include <stdbool.h>
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//---
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#include <parameter.h>
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#include <atom.h>
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void initialIntegrate_cpu(bool reneigh, Parameter *param, Atom *atom) {
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for(int i = 0; i < atom->Nlocal; i++) {
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atom_vx(i) += param->dtforce * atom_fx(i);
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atom_vy(i) += param->dtforce * atom_fy(i);
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atom_vz(i) += param->dtforce * atom_fz(i);
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atom_x(i) = atom_x(i) + param->dt * atom_vx(i);
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atom_y(i) = atom_y(i) + param->dt * atom_vy(i);
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atom_z(i) = atom_z(i) + param->dt * atom_vz(i);
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}
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}
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void finalIntegrate_cpu(bool reneigh, Parameter *param, Atom *atom) {
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for(int i = 0; i < atom->Nlocal; i++) {
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atom_vx(i) += param->dtforce * atom_fx(i);
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atom_vy(i) += param->dtforce * atom_fy(i);
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atom_vz(i) += param->dtforce * atom_fz(i);
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}
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}
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#ifdef CUDA_TARGET
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void initialIntegrate_cuda(bool, Parameter*, Atom*);
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void finalIntegrate_cuda(bool, Parameter*, Atom*);
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#endif
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