/* * 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. */ #include #include #ifndef __NEIGHBOR_H_ #define __NEIGHBOR_H_ typedef struct { int every; int ncalls; int* neighbors; int maxneighs; int* numneigh; int half_neigh; } Neighbor; extern void initNeighbor(Neighbor*, Parameter*); extern void setupNeighbor(Parameter*, Atom*); extern void binatoms(Atom*); extern void buildNeighbor(Atom*, Neighbor*); extern void pruneNeighbor(Parameter*, Atom*, Neighbor*); extern void sortAtom(Atom*); extern void buildClusters(Atom*); extern void defineJClusters(Atom*); extern void binClusters(Atom*); extern void updateSingleAtoms(Atom*); #endif