56 lines
1.2 KiB
C
56 lines
1.2 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 <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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