2020-08-18 14:27:28 +02:00
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/*
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2022-09-05 10:39:42 +02:00
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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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2020-08-18 14:27:28 +02:00
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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 every;
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int ncalls;
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int* neighbors;
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int maxneighs;
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int* numneigh;
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2022-03-22 23:47:05 +01:00
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int half_neigh;
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2020-08-18 14:27:28 +02:00
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} Neighbor;
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extern void initNeighbor(Neighbor*, Parameter*);
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2022-01-27 03:07:31 +01:00
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extern void setupNeighbor(Parameter*, Atom*);
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2020-08-18 14:27:28 +02:00
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extern void binatoms(Atom*);
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2022-01-27 03:07:31 +01:00
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extern void buildNeighbor(Atom*, Neighbor*);
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2022-02-28 17:20:39 +01:00
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extern void pruneNeighbor(Parameter*, Atom*, Neighbor*);
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2021-11-03 00:57:24 +01:00
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extern void sortAtom(Atom*);
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2022-01-27 03:07:31 +01:00
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extern void buildClusters(Atom*);
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2022-03-10 22:33:41 +01:00
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extern void defineJClusters(Atom*);
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2022-01-27 03:07:31 +01:00
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extern void binClusters(Atom*);
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extern void updateSingleAtoms(Atom*);
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2020-08-18 14:27:28 +02:00
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#endif
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