35 lines
1.1 KiB
C
35 lines
1.1 KiB
C
/*
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* Copyright (C) 2022 NHR@FAU, University Erlangen-Nuremberg.
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* All rights reserved. This file is part of MD-Bench.
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* Use of this source code is governed by a LGPL-3.0
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* license that can be found in the LICENSE file.
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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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