72 lines
2.0 KiB
C
72 lines
2.0 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 <atom.h>
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#include <parameter.h>
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#ifndef __NEIGHBOR_H_
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#define __NEIGHBOR_H_
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typedef struct {
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int *neighbors;
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int *numneigh;
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} DeviceNeighbor;
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typedef struct {
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int every;
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int ncalls;
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int maxneighs;
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int half_neigh;
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int *neighbors;
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int *numneigh;
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// Device data
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DeviceNeighbor d_neighbor;
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} Neighbor;
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typedef struct {
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MD_FLOAT xprd; MD_FLOAT yprd; MD_FLOAT zprd;
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MD_FLOAT bininvx; MD_FLOAT bininvy; MD_FLOAT bininvz;
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int mbinxlo; int mbinylo; int mbinzlo;
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int nbinx; int nbiny; int nbinz;
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int mbinx; int mbiny; int mbinz;
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} Neighbor_params;
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typedef struct {
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int* bincount;
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int* bins;
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int mbins;
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int atoms_per_bin;
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} Binning;
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extern void initNeighbor(Neighbor*, Parameter*);
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extern void setupNeighbor(Parameter*);
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extern void binatoms(Atom*);
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extern void buildNeighbor_cpu(Atom*, Neighbor*);
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extern void sortAtom(Atom*);
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#ifdef CUDA_TARGET
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extern void buildNeighbor_cuda(Atom*, Neighbor*);
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#endif
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#endif
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