/* * ======================================================================================= * * Author: Jan Eitzinger (je), jan.eitzinger@fau.de * Copyright (c) 2020 RRZE, University Erlangen-Nuremberg * * Permission is hereby granted, free of charge, to any person obtaining a copy * of this software and associated documentation files (the "Software"), to deal * in the Software without restriction, including without limitation the rights * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell * copies of the Software, and to permit persons to whom the Software is * furnished to do so, subject to the following conditions: * * The above copyright notice and this permission notice shall be included in all * copies or substantial portions of the Software. * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE * AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER * LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, * OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE * SOFTWARE. * * ======================================================================================= */ #include #include #ifndef __NEIGHBOR_H_ #define __NEIGHBOR_H_ typedef struct { /* double cutneigh; // neighbor cutoff */ int every; int ncalls; int* neighbors; int maxneighs; int* numneigh; } Neighbor; extern void initNeighbor(Neighbor*, Parameter*); extern void setupNeighbor(Parameter*); extern void binatoms(Atom*); extern void buildNeighbor(Atom*, Neighbor*); #endif