2020-08-18 14:27:28 +02:00
|
|
|
/*
|
2022-09-05 10:39:42 +02:00
|
|
|
* Copyright (C) 2022 NHR@FAU, University Erlangen-Nuremberg.
|
|
|
|
|
* All rights reserved. This file is part of MD-Bench.
|
|
|
|
|
* Use of this source code is governed by a LGPL-3.0
|
|
|
|
|
* license that can be found in the LICENSE file.
|
2020-08-18 14:27:28 +02:00
|
|
|
*/
|
|
|
|
|
#include <atom.h>
|
|
|
|
|
#include <parameter.h>
|
|
|
|
|
|
|
|
|
|
#ifndef __NEIGHBOR_H_
|
|
|
|
|
#define __NEIGHBOR_H_
|
|
|
|
|
typedef struct {
|
|
|
|
|
int every;
|
|
|
|
|
int ncalls;
|
|
|
|
|
int* neighbors;
|
|
|
|
|
int maxneighs;
|
|
|
|
|
int* numneigh;
|
2022-03-22 23:47:05 +01:00
|
|
|
int half_neigh;
|
2020-08-18 14:27:28 +02:00
|
|
|
} Neighbor;
|
|
|
|
|
|
|
|
|
|
extern void initNeighbor(Neighbor*, Parameter*);
|
2022-01-27 03:07:31 +01:00
|
|
|
extern void setupNeighbor(Parameter*, Atom*);
|
2020-08-18 14:27:28 +02:00
|
|
|
extern void binatoms(Atom*);
|
2022-01-27 03:07:31 +01:00
|
|
|
extern void buildNeighbor(Atom*, Neighbor*);
|
2022-02-28 17:20:39 +01:00
|
|
|
extern void pruneNeighbor(Parameter*, Atom*, Neighbor*);
|
2021-11-03 00:57:24 +01:00
|
|
|
extern void sortAtom(Atom*);
|
2022-01-27 03:07:31 +01:00
|
|
|
extern void buildClusters(Atom*);
|
2022-12-18 14:28:29 +01:00
|
|
|
extern void buildClustersGPU(Atom*);
|
2022-03-10 22:33:41 +01:00
|
|
|
extern void defineJClusters(Atom*);
|
2022-01-27 03:07:31 +01:00
|
|
|
extern void binClusters(Atom*);
|
|
|
|
|
extern void updateSingleAtoms(Atom*);
|
2020-08-18 14:27:28 +02:00
|
|
|
#endif
|
